# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ljh130058_4_fa
_database_code_depnum_ccdc_archive 'CCDC 1483130'
_audit_update_record             
;
2016-06-02 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2014-06-10
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2014.05.21 svn.r2942 for OlexSys, GUI svn.r4846)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C39 H38 Cl2 O3 P2 Pt'
_chemical_formula_sum            'C39 H38 Cl2 O3 P2 Pt'
_chemical_formula_weight         882.62
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C39 H38 O3 Cl2 P2 Pt1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           145
_space_group_name_H-M_alt        'P 32'
_space_group_name_Hall           'P 32'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'

_cell_length_a                   11.52064(15)
_cell_length_b                   11.52064(15)
_cell_length_c                   22.9152(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2633.95(8)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    36291
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      28.2840
_cell_measurement_theta_min      3.3130
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.276
_exptl_absorpt_correction_T_max  0.700
_exptl_absorpt_correction_T_min  0.538
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1314
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            83576
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.935
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.398
_diffrn_reflns_theta_min         2.707
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -67.00   26.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5209  -77.0000   90.0000 93

#__ type_ start__ end____ width___ exp.time_
  2 omega -110.00  -35.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5209 -179.0000   30.0000 75

#__ type_ start__ end____ width___ exp.time_
  3 omega  -22.00   72.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       15.0053   57.0000   30.0000 94

#__ type_ start__ end____ width___ exp.time_
  4 omega  -42.00   76.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       15.0053   19.0000  -30.0000 118

#__ type_ start__ end____ width___ exp.time_
  5 omega  -68.00   50.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       15.0053  -57.0000    0.0000 118

#__ type_ start__ end____ width___ exp.time_
  6 omega  -65.00   52.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       15.0053  -57.0000 -120.0000 117

#__ type_ start__ end____ width___ exp.time_
  7 omega   55.00   81.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       15.0053 -131.0000  -32.7014 26

#__ type_ start__ end____ width___ exp.time_
  8 omega -109.00  -32.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5209  179.0000 -150.0000 77

#__ type_ start__ end____ width___ exp.time_
  9 omega  -50.00   71.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5209   57.0000 -120.0000 121

#__ type_ start__ end____ width___ exp.time_
 10 omega  -50.00   71.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5209   57.0000   30.0000 121

#__ type_ start__ end____ width___ exp.time_
 11 omega -105.00   26.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5209  -77.0000  -60.0000 131

#__ type_ start__ end____ width___ exp.time_
 12 omega  -98.00   23.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.5209  -57.0000   90.0000 121

#__ type_ start__ end____ width___ exp.time_
 13 omega  -81.00  -34.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       15.0053 -179.0000   60.0000 47

#__ type_ start__ end____ width___ exp.time_
 14 omega  -22.00   99.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       15.0053   57.0000   30.0000 121

#__ type_ start__ end____ width___ exp.time_
 15 omega   22.00   81.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       15.0053 -131.0000  -32.7014 59

#__ type_ start__ end____ width___ exp.time_
 16 omega   -4.00   62.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       15.0053  -99.0000  120.0000 66
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0639308000
_diffrn_orient_matrix_UB_12      -0.0391761000
_diffrn_orient_matrix_UB_13      -0.0130312000
_diffrn_orient_matrix_UB_21      0.0173682000
_diffrn_orient_matrix_UB_22      0.0495762000
_diffrn_orient_matrix_UB_23      -0.0218819000
_diffrn_orient_matrix_UB_31      0.0257709000
_diffrn_orient_matrix_UB_32      -0.0325661000
_diffrn_orient_matrix_UB_33      -0.0176021000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.945
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.909
_reflns_number_gt                7956
_reflns_number_total             8250
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2008)'
_refine_diff_density_max         0.993
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.086
_refine_ls_abs_structure_details 
;
 Flack x determined using 3745 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.0247(18)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         8250
_refine_ls_number_restraints     400
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0200
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0129P)²+1.2122P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0353
_refine_ls_wR_factor_ref         0.0363
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C20(H20A,H20B), C22(H22A,H22B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C3'(H3'), C4(H4), C4'(H4'), C5(H5), C5'(H5'), C6(H6), C6'(H6'),
 C7(H7), C7'(H7'), C8(H8), C8'(H8'), C13(H13), C13'(H13'), C14(H14), C14'(H14'),
  C15(H15), C15'(H15'), C16(H16), C16'(H16')
3.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C23(H23A,H23B,
 H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.24594(2) 0.20894(2) 0.33435(2) 0.01478(4) Uani 1 1 d . . . . .
Cl1 Cl 0.31429(11) 0.28699(10) 0.42858(4) 0.0245(2) Uani 1 1 d . . . . .
Cl2 Cl 0.18951(12) 0.13817(11) 0.24000(4) 0.0268(2) Uani 1 1 d . . . . .
P1 P 0.24001(10) 0.40094(10) 0.32015(4) 0.0153(2) Uani 1 1 d . . . . .
P2 P 0.29025(11) 0.03521(11) 0.34592(5) 0.0178(2) Uani 1 1 d . . . . .
O1 O 0.3828(3) 0.5301(3) 0.33561(12) 0.0179(6) Uani 1 1 d . . . . .
O2 O 0.2218(3) 0.4266(3) 0.25272(12) 0.0187(6) Uani 1 1 d . . . . .
O3 O -0.0862(3) 0.3110(3) 0.24837(13) 0.0294(8) Uani 1 1 d . . . . .
C1 C -0.0018(4) 0.3570(4) 0.36447(17) 0.0155(8) Uani 1 1 d . . . . .
C1' C -0.0662(4) 0.2202(4) 0.33737(16) 0.0161(8) Uani 1 1 d . . . . .
C2 C 0.1337(4) 0.4451(4) 0.36172(18) 0.0164(8) Uani 1 1 d . . . . .
C2' C -0.1072(4) 0.2006(4) 0.28035(18) 0.0201(9) Uani 1 1 d . . . . .
C3 C 0.1910(4) 0.5716(4) 0.39009(18) 0.0205(9) Uani 1 1 d . . . . .
H3 H 0.2827 0.6309 0.3874 0.025 Uiso 1 1 calc R . . . .
C3' C -0.1679(4) 0.0724(4) 0.25425(19) 0.0237(9) Uani 1 1 d . . . . .
H3' H -0.1874 0.0629 0.2146 0.028 Uiso 1 1 calc R . . . .
C4 C 0.1121(4) 0.6063(4) 0.42114(19) 0.0233(9) Uani 1 1 d . . . . .
H4 H 0.1514 0.6880 0.4407 0.028 Uiso 1 1 calc R . . . .
C4' C -0.1977(4) -0.0370(4) 0.28724(19) 0.0245(9) Uani 1 1 d . . . . .
H4' H -0.2387 -0.1212 0.2699 0.029 Uiso 1 1 calc R . . . .
C5 C -0.1105(5) 0.5565(4) 0.4563(2) 0.0278(10) Uani 1 1 d . . . . .
H5 H -0.0724 0.6373 0.4765 0.033 Uiso 1 1 calc R . . . .
C5' C -0.2055(4) -0.1373(4) 0.3838(2) 0.0263(10) Uani 1 1 d . . . . .
H5' H -0.2518 -0.2228 0.3677 0.032 Uiso 1 1 calc R . . . .
C6 C -0.2455(5) 0.4731(5) 0.4578(2) 0.0306(10) Uani 1 1 d . . . . .
H6 H -0.2994 0.4981 0.4782 0.037 Uiso 1 1 calc R . . . .
C6' C -0.1758(5) -0.1232(5) 0.4418(2) 0.0276(10) Uani 1 1 d . . . . .
H6' H -0.2036 -0.1986 0.4652 0.033 Uiso 1 1 calc R . . . .
C7 C -0.3040(5) 0.3493(5) 0.4287(2) 0.0268(10) Uani 1 1 d . . . . .
H7 H -0.3965 0.2931 0.4301 0.032 Uiso 1 1 calc R . . . .
C7' C -0.1032(5) 0.0049(4) 0.46620(19) 0.0254(9) Uani 1 1 d . . . . .
H7' H -0.0818 0.0143 0.5057 0.030 Uiso 1 1 calc R . . . .
C8 C -0.2278(4) 0.3105(4) 0.39858(18) 0.0226(9) Uani 1 1 d . . . . .
H8 H -0.2683 0.2277 0.3799 0.027 Uiso 1 1 calc R . . . .
C8' C -0.0635(4) 0.1164(4) 0.43256(18) 0.0213(9) Uani 1 1 d . . . . .
H8' H -0.0138 0.2008 0.4493 0.026 Uiso 1 1 calc R . . . .
C9 C -0.0863(4) 0.3953(4) 0.39529(17) 0.0171(8) Uani 1 1 d . . . . .
C9' C -0.0969(4) 0.1054(4) 0.37268(17) 0.0166(8) Uani 1 1 d . . . . .
C10 C -0.0274(5) 0.5211(4) 0.42424(18) 0.0214(9) Uani 1 1 d . . . . .
C10' C -0.1674(4) -0.0248(4) 0.34783(19) 0.0201(9) Uani 1 1 d . . . . .
C11 C 0.5056(4) 0.6066(4) 0.24604(18) 0.0216(9) Uani 1 1 d . . . . .
C11' C 0.4060(4) 0.6413(4) 0.22343(17) 0.0226(9) Uani 1 1 d . . . . .
C12 C 0.4916(4) 0.5482(4) 0.3004(2) 0.0214(9) Uani 1 1 d . . . . .
C12' C 0.2692(4) 0.5552(4) 0.22922(17) 0.0201(9) Uani 1 1 d . . . . .
C13 C 0.5797(4) 0.5120(4) 0.3225(2) 0.0260(10) Uani 1 1 d . . . . .
H13 H 0.5661 0.4725 0.3592 0.031 Uiso 1 1 calc R . . . .
C13' C 0.1756(5) 0.5851(4) 0.20680(19) 0.0264(10) Uani 1 1 d . . . . .
H13' H 0.0844 0.5260 0.2117 0.032 Uiso 1 1 calc R . . . .
C14 C 0.6899(4) 0.5359(5) 0.2887(2) 0.0314(11) Uani 1 1 d . . . . .
H14 H 0.7518 0.5134 0.3027 0.038 Uiso 1 1 calc R . . . .
C14' C 0.2201(5) 0.7047(5) 0.1768(2) 0.0346(11) Uani 1 1 d . . . . .
H14' H 0.1585 0.7258 0.1611 0.042 Uiso 1 1 calc R . . . .
C15 C 0.7065(5) 0.5935(5) 0.2339(2) 0.0333(11) Uani 1 1 d . . . . .
H15 H 0.7794 0.6086 0.2110 0.040 Uiso 1 1 calc R . . . .
C15' C 0.3552(5) 0.7920(5) 0.1703(2) 0.0362(11) Uani 1 1 d . . . . .
H15' H 0.3846 0.8721 0.1502 0.043 Uiso 1 1 calc R . . . .
C16 C 0.6161(4) 0.6284(4) 0.2133(2) 0.0283(10) Uani 1 1 d . . . . .
H16 H 0.6293 0.6675 0.1766 0.034 Uiso 1 1 calc R . . . .
C16' C 0.4471(5) 0.7615(4) 0.1934(2) 0.0312(11) Uani 1 1 d . . . . .
H16' H 0.5381 0.8219 0.1890 0.037 Uiso 1 1 calc R . . . .
C17 C -0.2013(5) 0.2985(5) 0.2206(2) 0.0349(12) Uani 1 1 d . . . . .
H17A H -0.2322 0.2289 0.1917 0.052 Uiso 1 1 calc GR . . . .
H17B H -0.1795 0.3818 0.2021 0.052 Uiso 1 1 calc GR . . . .
H17C H -0.2705 0.2762 0.2490 0.052 Uiso 1 1 calc GR . . . .
C18 C 0.4572(4) 0.0919(5) 0.3155(2) 0.0301(10) Uani 1 1 d . . . . .
H18A H 0.4550 0.1077 0.2740 0.036 Uiso 1 1 calc R . . . .
H18B H 0.5199 0.1768 0.3334 0.036 Uiso 1 1 calc R . . . .
C19 C 0.5105(5) -0.0054(6) 0.3238(3) 0.0457(14) Uani 1 1 d . . . . .
H19A H 0.4478 -0.0912 0.3077 0.069 Uiso 1 1 calc GR . . . .
H19B H 0.5220 -0.0150 0.3647 0.069 Uiso 1 1 calc GR . . . .
H19C H 0.5952 0.0292 0.3043 0.069 Uiso 1 1 calc GR . . . .
C20 C 0.3005(4) -0.0124(4) 0.42057(18) 0.0231(9) Uani 1 1 d . . . . .
H20A H 0.3192 -0.0856 0.4197 0.028 Uiso 1 1 calc R . . . .
H20B H 0.3752 0.0629 0.4398 0.028 Uiso 1 1 calc R . . . .
C21 C 0.1742(5) -0.0553(4) 0.4567(2) 0.0276(10) Uani 1 1 d . . . . .
H21A H 0.1003 -0.1327 0.4392 0.041 Uiso 1 1 calc GR . . . .
H21B H 0.1548 0.0166 0.4581 0.041 Uiso 1 1 calc GR . . . .
H21C H 0.1880 -0.0768 0.4956 0.041 Uiso 1 1 calc GR . . . .
C22 C 0.1877(4) -0.1208(4) 0.3063(2) 0.0269(10) Uani 1 1 d . . . . .
H22A H 0.2112 -0.1042 0.2653 0.032 Uiso 1 1 calc R . . . .
H22B H 0.2120 -0.1857 0.3196 0.032 Uiso 1 1 calc R . . . .
C23 C 0.0382(5) -0.1833(5) 0.3114(2) 0.0336(12) Uani 1 1 d . . . . .
H23A H -0.0047 -0.2605 0.2864 0.050 Uiso 1 1 calc GR . . . .
H23B H 0.0122 -0.1194 0.2999 0.050 Uiso 1 1 calc GR . . . .
H23C H 0.0115 -0.2100 0.3510 0.050 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.3203(10) . ?
Pt1 Cl2 2.2873(10) . ?
Pt1 P1 2.2703(10) . ?
Pt1 P2 2.3148(11) . ?
P1 O1 1.612(3) . ?
P1 O2 1.607(3) . ?
P1 C2 1.813(4) . ?
P2 C18 1.832(4) . ?
P2 C20 1.818(4) . ?
P2 C22 1.824(4) . ?
O1 C12 1.415(5) . ?
O2 C12' 1.405(5) . ?
O3 C2' 1.380(5) . ?
O3 C17 1.412(6) . ?
C1 C1' 1.501(5) . ?
C1 C2 1.374(6) . ?
C1 C9 1.439(6) . ?
C1' C2' 1.369(5) . ?
C1' C9' 1.435(6) . ?
C2 C3 1.421(6) . ?
C2' C3' 1.413(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.362(6) . ?
C3' H3' 0.9300 . ?
C3' C4' 1.358(6) . ?
C4 H4 0.9300 . ?
C4 C10 1.405(6) . ?
C4' H4' 0.9300 . ?
C4' C10' 1.422(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.360(6) . ?
C5 C10 1.418(6) . ?
C5' H5' 0.9300 . ?
C5' C6' 1.361(7) . ?
C5' C10' 1.409(6) . ?
C6 H6 0.9300 . ?
C6 C7 1.404(7) . ?
C6' H6' 0.9300 . ?
C6' C7' 1.399(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.357(6) . ?
C7' H7' 0.9300 . ?
C7' C8' 1.366(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.423(6) . ?
C8' H8' 0.9300 . ?
C8' C9' 1.413(6) . ?
C9 C10 1.421(6) . ?
C9' C10' 1.420(6) . ?
C11 C11' 1.485(6) . ?
C11 C12 1.386(6) . ?
C11 C16 1.388(6) . ?
C11' C12' 1.386(6) . ?
C11' C16' 1.400(6) . ?
C12 C13 1.373(6) . ?
C12' C13' 1.385(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.393(6) . ?
C13' H13' 0.9300 . ?
C13' C14' 1.388(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.388(7) . ?
C14' H14' 0.9300 . ?
C14' C15' 1.375(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.374(7) . ?
C15' H15' 0.9300 . ?
C15' C16' 1.377(7) . ?
C16 H16 0.9300 . ?
C16' H16' 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.535(7) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.526(6) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.503(6) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Pt1 Cl1 177.13(5) . . ?
Cl2 Pt1 P2 86.92(4) . . ?
P1 Pt1 Cl1 85.72(4) . . ?
P1 Pt1 Cl2 94.02(4) . . ?
P1 Pt1 P2 170.36(4) . . ?
P2 Pt1 Cl1 92.85(4) . . ?
O1 P1 Pt1 110.71(11) . . ?
O1 P1 C2 98.43(17) . . ?
O2 P1 Pt1 112.79(11) . . ?
O2 P1 O1 102.04(15) . . ?
O2 P1 C2 106.56(18) . . ?
C2 P1 Pt1 123.47(14) . . ?
C18 P2 Pt1 107.13(16) . . ?
C20 P2 Pt1 116.37(15) . . ?
C20 P2 C18 104.5(2) . . ?
C20 P2 C22 106.2(2) . . ?
C22 P2 Pt1 118.72(15) . . ?
C22 P2 C18 102.1(2) . . ?
C12 O1 P1 115.5(3) . . ?
C12' O2 P1 123.0(2) . . ?
C2' O3 C17 115.0(4) . . ?
C2 C1 C1' 122.7(4) . . ?
C2 C1 C9 119.3(4) . . ?
C9 C1 C1' 118.0(3) . . ?
C2' C1' C1 121.1(4) . . ?
C2' C1' C9' 118.7(4) . . ?
C9' C1' C1 119.9(3) . . ?
C1 C2 P1 119.6(3) . . ?
C1 C2 C3 120.6(4) . . ?
C3 C2 P1 119.7(3) . . ?
O3 C2' C3' 120.4(4) . . ?
C1' C2' O3 117.9(4) . . ?
C1' C2' C3' 121.7(4) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.3(4) . . ?
C4 C3 H3 119.9 . . ?
C2' C3' H3' 120.1 . . ?
C4' C3' C2' 119.9(4) . . ?
C4' C3' H3' 120.1 . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C10 121.3(4) . . ?
C10 C4 H4 119.4 . . ?
C3' C4' H4' 119.4 . . ?
C3' C4' C10' 121.1(4) . . ?
C10' C4' H4' 119.4 . . ?
C6 C5 H5 119.7 . . ?
C6 C5 C10 120.5(4) . . ?
C10 C5 H5 119.7 . . ?
C6' C5' H5' 119.4 . . ?
C6' C5' C10' 121.2(4) . . ?
C10' C5' H5' 119.4 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.3(4) . . ?
C7 C6 H6 119.9 . . ?
C5' C6' H6' 120.1 . . ?
C5' C6' C7' 119.9(4) . . ?
C7' C6' H6' 120.1 . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 121.0(4) . . ?
C8 C7 H7 119.5 . . ?
C6' C7' H7' 119.7 . . ?
C8' C7' C6' 120.6(4) . . ?
C8' C7' H7' 119.7 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(4) . . ?
C9 C8 H8 119.7 . . ?
C7' C8' H8' 119.5 . . ?
C7' C8' C9' 121.1(4) . . ?
C9' C8' H8' 119.5 . . ?
C8 C9 C1 122.3(4) . . ?
C10 C9 C1 119.4(4) . . ?
C10 C9 C8 118.3(4) . . ?
C8' C9' C1' 122.3(4) . . ?
C8' C9' C10' 118.0(4) . . ?
C10' C9' C1' 119.6(4) . . ?
C4 C10 C5 121.7(4) . . ?
C4 C10 C9 119.0(4) . . ?
C5 C10 C9 119.2(4) . . ?
C5' C10' C4' 122.2(4) . . ?
C5' C10' C9' 119.2(4) . . ?
C9' C10' C4' 118.6(4) . . ?
C12 C11 C11' 121.7(4) . . ?
C12 C11 C16 116.6(4) . . ?
C16 C11 C11' 121.7(4) . . ?
C12' C11' C11 121.9(4) . . ?
C12' C11' C16' 117.1(4) . . ?
C16' C11' C11 120.9(4) . . ?
C11 C12 O1 117.7(4) . . ?
C13 C12 O1 118.6(4) . . ?
C13 C12 C11 123.7(4) . . ?
C11' C12' O2 119.7(4) . . ?
C13' C12' O2 117.6(4) . . ?
C13' C12' C11' 122.3(4) . . ?
C12 C13 H13 120.9 . . ?
C12 C13 C14 118.3(5) . . ?
C14 C13 H13 120.9 . . ?
C12' C13' H13' 120.5 . . ?
C12' C13' C14' 118.9(4) . . ?
C14' C13' H13' 120.5 . . ?
C13 C14 H14 120.2 . . ?
C15 C14 C13 119.5(5) . . ?
C15 C14 H14 120.2 . . ?
C13' C14' H14' 120.0 . . ?
C15' C14' C13' 120.1(5) . . ?
C15' C14' H14' 120.0 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.5(4) . . ?
C16 C15 H15 119.8 . . ?
C14' C15' H15' 119.8 . . ?
C14' C15' C16' 120.3(4) . . ?
C16' C15' H15' 119.8 . . ?
C11 C16 H16 119.3 . . ?
C15 C16 C11 121.4(4) . . ?
C15 C16 H16 119.3 . . ?
C11' C16' H16' 119.4 . . ?
C15' C16' C11' 121.2(4) . . ?
C15' C16' H16' 119.4 . . ?
O3 C17 H17A 109.5 . . ?
O3 C17 H17B 109.5 . . ?
O3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P2 C18 H18A 108.5 . . ?
P2 C18 H18B 108.5 . . ?
H18A C18 H18B 107.5 . . ?
C19 C18 P2 115.1(3) . . ?
C19 C18 H18A 108.5 . . ?
C19 C18 H18B 108.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P2 C20 H20A 108.7 . . ?
P2 C20 H20B 108.7 . . ?
H20A C20 H20B 107.6 . . ?
C21 C20 P2 114.4(3) . . ?
C21 C20 H20A 108.7 . . ?
C21 C20 H20B 108.7 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
P2 C22 H22A 108.0 . . ?
P2 C22 H22B 108.0 . . ?
H22A C22 H22B 107.2 . . ?
C23 C22 P2 117.2(3) . . ?
C23 C22 H22A 108.0 . . ?
C23 C22 H22B 108.0 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 P1 O1 C12 63.1(3) . . . . ?
Pt1 P1 O2 C12' -152.5(3) . . . . ?
Pt1 P1 C2 C1 -54.4(4) . . . . ?
Pt1 P1 C2 C3 126.9(3) . . . . ?
Pt1 P2 C18 C19 174.9(3) . . . . ?
Pt1 P2 C20 C21 58.3(4) . . . . ?
Pt1 P2 C22 C23 -51.0(4) . . . . ?
P1 O1 C12 C11 80.5(4) . . . . ?
P1 O1 C12 C13 -101.9(4) . . . . ?
P1 O2 C12' C11' 69.7(4) . . . . ?
P1 O2 C12' C13' -117.2(4) . . . . ?
P1 C2 C3 C4 179.6(3) . . . . ?
O1 P1 O2 C12' -33.7(3) . . . . ?
O1 P1 C2 C1 -176.2(3) . . . . ?
O1 P1 C2 C3 5.2(4) . . . . ?
O1 C12 C13 C14 -177.1(4) . . . . ?
O2 P1 O1 C12 -57.2(3) . . . . ?
O2 P1 C2 C1 78.5(4) . . . . ?
O2 P1 C2 C3 -100.1(3) . . . . ?
O2 C12' C13' C14' -172.0(4) . . . . ?
O3 C2' C3' C4' -174.8(4) . . . . ?
C1 C1' C2' O3 0.6(6) . . . . ?
C1 C1' C2' C3' 180.0(4) . . . . ?
C1 C1' C9' C8' -2.7(6) . . . . ?
C1 C1' C9' C10' 175.0(4) . . . . ?
C1 C2 C3 C4 0.9(6) . . . . ?
C1 C9 C10 C4 1.1(6) . . . . ?
C1 C9 C10 C5 -177.8(4) . . . . ?
C1' C1 C2 P1 3.9(5) . . . . ?
C1' C1 C2 C3 -177.4(4) . . . . ?
C1' C1 C9 C8 -2.7(6) . . . . ?
C1' C1 C9 C10 176.5(3) . . . . ?
C1' C2' C3' C4' 5.8(6) . . . . ?
C1' C9' C10' C4' 4.2(6) . . . . ?
C1' C9' C10' C5' -175.4(4) . . . . ?
C2 P1 O1 C12 -166.2(3) . . . . ?
C2 P1 O2 C12' 69.0(3) . . . . ?
C2 C1 C1' C2' -87.6(5) . . . . ?
C2 C1 C1' C9' 98.1(5) . . . . ?
C2 C1 C9 C8 178.3(4) . . . . ?
C2 C1 C9 C10 -2.5(6) . . . . ?
C2 C3 C4 C10 -2.3(6) . . . . ?
C2' C1' C9' C8' -177.1(4) . . . . ?
C2' C1' C9' C10' 0.5(6) . . . . ?
C2' C3' C4' C10' -0.8(6) . . . . ?
C3 C4 C10 C5 -179.8(4) . . . . ?
C3 C4 C10 C9 1.3(6) . . . . ?
C3' C4' C10' C5' 175.5(4) . . . . ?
C3' C4' C10' C9' -4.1(6) . . . . ?
C5 C6 C7 C8 -0.1(7) . . . . ?
C5' C6' C7' C8' 1.0(7) . . . . ?
C6 C5 C10 C4 178.9(4) . . . . ?
C6 C5 C10 C9 -2.2(7) . . . . ?
C6 C7 C8 C9 -0.7(7) . . . . ?
C6' C5' C10' C4' -179.7(4) . . . . ?
C6' C5' C10' C9' -0.1(6) . . . . ?
C6' C7' C8' C9' 1.3(7) . . . . ?
C7 C8 C9 C1 179.2(4) . . . . ?
C7 C8 C9 C10 0.0(6) . . . . ?
C7' C8' C9' C1' 174.8(4) . . . . ?
C7' C8' C9' C10' -3.0(6) . . . . ?
C8 C9 C10 C4 -179.7(4) . . . . ?
C8 C9 C10 C5 1.4(6) . . . . ?
C8' C9' C10' C4' -178.0(4) . . . . ?
C8' C9' C10' C5' 2.3(6) . . . . ?
C9 C1 C1' C2' 93.5(5) . . . . ?
C9 C1 C1' C9' -80.9(5) . . . . ?
C9 C1 C2 P1 -177.2(3) . . . . ?
C9 C1 C2 C3 1.5(6) . . . . ?
C9' C1' C2' O3 175.0(3) . . . . ?
C9' C1' C2' C3' -5.6(6) . . . . ?
C10 C5 C6 C7 1.5(7) . . . . ?
C10' C5' C6' C7' -1.6(7) . . . . ?
C11 C11' C12' O2 -5.4(6) . . . . ?
C11 C11' C12' C13' -178.1(4) . . . . ?
C11 C11' C16' C15' 177.4(4) . . . . ?
C11 C12 C13 C14 0.4(7) . . . . ?
C11' C11 C12 O1 -3.9(6) . . . . ?
C11' C11 C12 C13 178.6(4) . . . . ?
C11' C11 C16 C15 -178.6(4) . . . . ?
C11' C12' C13' C14' 0.8(7) . . . . ?
C12 C11 C11' C12' -43.2(6) . . . . ?
C12 C11 C11' C16' 139.1(4) . . . . ?
C12 C11 C16 C15 0.1(6) . . . . ?
C12 C13 C14 C15 -0.8(6) . . . . ?
C12' C11' C16' C15' -0.5(6) . . . . ?
C12' C13' C14' C15' -0.7(7) . . . . ?
C13 C14 C15 C16 0.8(7) . . . . ?
C13' C14' C15' C16' 0.0(8) . . . . ?
C14 C15 C16 C11 -0.4(7) . . . . ?
C14' C15' C16' C11' 0.6(7) . . . . ?
C16 C11 C11' C12' 135.5(4) . . . . ?
C16 C11 C11' C16' -42.3(6) . . . . ?
C16 C11 C12 O1 177.4(4) . . . . ?
C16 C11 C12 C13 -0.1(6) . . . . ?
C16' C11' C12' O2 172.5(4) . . . . ?
C16' C11' C12' C13' -0.2(6) . . . . ?
C17 O3 C2' C1' -126.6(4) . . . . ?
C17 O3 C2' C3' 54.0(5) . . . . ?
C18 P2 C20 C21 176.2(3) . . . . ?
C18 P2 C22 C23 -168.4(4) . . . . ?
C20 P2 C18 C19 50.9(4) . . . . ?
C20 P2 C22 C23 82.4(4) . . . . ?
C22 P2 C18 C19 -59.6(4) . . . . ?
C22 P2 C20 C21 -76.3(4) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1 0 -1 0.0590 1.0003 0.0000 -1.0001 -0.0509 0.0393 0.0434
-1 0 1 0.0500 -1.0003 -0.0000 1.0001 0.0509 -0.0393 -0.0434
0 1 0 0.0802 -0.0002 1.0003 -0.0005 -0.0392 0.0496 -0.0326
0 -1 0 0.0382 0.0002 -1.0003 0.0005 0.0392 -0.0496 0.0326
0 0 1 0.0707 -0.0002 0.0003 0.9996 -0.0130 -0.0219 -0.0176
0 0 -1 0.0707 0.0002 -0.0003 -0.9996 0.0130 0.0219 0.0176
-1 2 2 0.0970 -1.0009 2.0009 1.9988 -0.0404 0.0381 -0.1261
-2 2 -1 0.0871 -2.0005 1.9997 -0.9996 0.0626 0.0863 -0.0991
2 -2 2 0.1039 2.0003 -1.9994 1.9993 -0.0756 -0.1081 0.0815

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ljh130003
_database_code_depnum_ccdc_archive 'CCDC 1483131'
_audit_update_record             
;
2016-06-02 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2015-01-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.19 svn.r3143 for OlexSys, GUI svn.r4992)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H33 Cl O2 P Rh'
_chemical_formula_sum            'C40 H33 Cl O2 P Rh'
_chemical_formula_weight         714.99
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           170
_space_group_name_H-M_alt        'P 65'
_space_group_name_Hall           'P 65'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z+5/6'
'-y, x-y, z+2/3'
'-x, -y, z+1/2'
'-x+y, -x, z+1/3'
'y, -x+y, z+1/6'

_cell_length_a                   10.4774(2)
_cell_length_b                   10.4774(2)
_cell_length_c                   49.1495(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     4672.6(2)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    9881
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      28.1470
_cell_measurement_theta_min      2.7849
_shelx_estimated_absorpt_T_max   0.869
_shelx_estimated_absorpt_T_min   0.813
_exptl_absorpt_coefficient_mu    0.722
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2196
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_av_unetI/netI     0.0456
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -64
_diffrn_reflns_number            31490
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.209
_diffrn_reflns_theta_min         2.791
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -90.00   18.00   0.7500   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -10.5696  -38.0000   90.0000 144

#__ type_ start__ end____ width___ exp.time_
  2 omega -102.00  -54.00   0.7500   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -10.5696  179.0000   30.0000 64

#__ type_ start__ end____ width___ exp.time_
  3 omega  -34.00   -7.00   0.7500   10.0000
omega____ theta____ kappa____ phi______ frames
    -       12.2102  110.0000  157.0000 36

#__ type_ start__ end____ width___ exp.time_
  4 omega   -1.00   26.00   0.7500   10.0000
omega____ theta____ kappa____ phi______ frames
    -       12.2102  -99.0000  -60.0000 36

#__ type_ start__ end____ width___ exp.time_
  5 omega    7.00   82.00   0.7500   10.0000
omega____ theta____ kappa____ phi______ frames
    -       12.2102   57.0000  -30.0000 100

#__ type_ start__ end____ width___ exp.time_
  6 omega   58.00   83.50   0.7500   10.0000
omega____ theta____ kappa____ phi______ frames
    -       12.2102  179.0000   60.0000 34
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0265880000
_diffrn_orient_matrix_UB_12      0.0004194000
_diffrn_orient_matrix_UB_13      -0.0132458000
_diffrn_orient_matrix_UB_21      -0.0161472000
_diffrn_orient_matrix_UB_22      0.0553102000
_diffrn_orient_matrix_UB_23      0.0041099000
_diffrn_orient_matrix_UB_31      0.0717253000
_diffrn_orient_matrix_UB_32      0.0552072000
_diffrn_orient_matrix_UB_33      -0.0039849000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.860
_reflns_Friedel_fraction_full    0.982
_reflns_Friedel_fraction_max     0.831
_reflns_number_gt                6646
_reflns_number_total             6807
_reflns_odcompleteness_completeness 99.65
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.661
_refine_diff_density_min         -1.672
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details 
;
 Flack x determined using 2919 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.065(15)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.220
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6807
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0574
_refine_ls_restrained_S_all      1.220
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+18.9687P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1090
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C17(H17), C18(H18), C21(H21), C22(H22)
2.b Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C20(H20A,H20B), C23(H23A,H23B), C24(H24A,H24B)
2.c Aromatic/amide H refined with riding coordinates:
 C2'(H2'), C3(H3), C3'(H3'), C4(H4), C4'(H4'), C5(H5), C5'(H5'), C6(H6),
 C6'(H6'), C7(H7), C7'(H7'), C8(H8), C8'(H8'), C13(H13), C13'(H13'), C14(H14),
 C14'(H14'), C15(H15), C15'(H15'), C16(H16), C16'(H16')
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.60777(7) 0.32493(7) 0.12319(2) 0.01860(14) Uani 1 1 d . . . . .
Cl1 Cl 0.6333(2) 0.4192(3) 0.07859(4) 0.0253(4) Uani 1 1 d . . . . .
P1 P 0.8094(2) 0.5353(2) 0.13284(4) 0.0151(4) Uani 1 1 d . . . . .
O1 O 0.7881(6) 0.6777(6) 0.13034(10) 0.0164(11) Uani 1 1 d . . . . .
O2 O 0.8617(6) 0.5493(6) 0.16424(10) 0.0178(11) Uani 1 1 d . . . . .
C1 C 1.0324(8) 0.5113(8) 0.10775(15) 0.0145(15) Uani 1 1 d . . . . .
C1' C 0.9649(8) 0.3564(8) 0.11762(16) 0.0182(16) Uani 1 1 d . . . . .
C2 C 0.9747(8) 0.6028(9) 0.11239(15) 0.0165(15) Uani 1 1 d . . . . .
C2' C 0.9908(10) 0.3285(10) 0.14419(17) 0.0231(18) Uani 1 1 d . . . . .
H2' H 1.0371 0.4076 0.1568 0.028 Uiso 1 1 calc R . . . .
C3 C 1.0437(9) 0.7466(9) 0.10082(16) 0.0185(16) Uani 1 1 d . . . . .
H3 H 1.0048 0.8097 0.1043 0.022 Uiso 1 1 calc R . . . .
C3' C 0.9493(11) 0.1852(10) 0.1525(2) 0.033(2) Uani 1 1 d . . . . .
H3' H 0.9680 0.1681 0.1707 0.040 Uiso 1 1 calc R . . . .
C4 C 1.1644(9) 0.7937(9) 0.08492(16) 0.0204(17) Uani 1 1 d . . . . .
H4 H 1.2073 0.8890 0.0770 0.024 Uiso 1 1 calc R . . . .
C4' C 0.8828(11) 0.0705(10) 0.1349(2) 0.033(2) Uani 1 1 d . . . . .
H4' H 0.8554 -0.0262 0.1409 0.039 Uiso 1 1 calc R . . . .
C5 C 1.3573(9) 0.7553(9) 0.06371(17) 0.0244(18) Uani 1 1 d . . . . .
H5 H 1.4022 0.8508 0.0558 0.029 Uiso 1 1 calc R . . . .
C5' C 0.7873(11) -0.0220(10) 0.0886(2) 0.034(2) Uani 1 1 d . . . . .
H5' H 0.7612 -0.1193 0.0939 0.041 Uiso 1 1 calc R . . . .
C6 C 1.4179(9) 0.6664(11) 0.05945(18) 0.028(2) Uani 1 1 d . . . . .
H6 H 1.5040 0.7006 0.0486 0.033 Uiso 1 1 calc R . . . .
C6' C 0.7601(11) 0.0036(11) 0.0628(2) 0.036(2) Uani 1 1 d . . . . .
H6' H 0.7147 -0.0760 0.0503 0.044 Uiso 1 1 calc R . . . .
C7 C 1.3529(10) 0.5270(10) 0.07103(18) 0.0266(19) Uani 1 1 d . . . . .
H7 H 1.3946 0.4660 0.0678 0.032 Uiso 1 1 calc R . . . .
C7' C 0.7979(10) 0.1454(11) 0.05441(19) 0.031(2) Uani 1 1 d . . . . .
H7' H 0.7789 0.1619 0.0362 0.037 Uiso 1 1 calc R . . . .
C8 C 1.2300(9) 0.4756(9) 0.08703(17) 0.0214(17) Uani 1 1 d . . . . .
H8 H 1.1893 0.3809 0.0952 0.026 Uiso 1 1 calc R . . . .
C8' C 0.8621(9) 0.2603(10) 0.07217(17) 0.0240(18) Uani 1 1 d . . . . .
H8' H 0.8858 0.3562 0.0664 0.029 Uiso 1 1 calc R . . . .
C9 C 1.1629(8) 0.5619(9) 0.09158(15) 0.0163(15) Uani 1 1 d . . . . .
C9' C 0.8937(9) 0.2383(9) 0.09913(17) 0.0194(17) Uani 1 1 d . . . . .
C10 C 1.2283(8) 0.7053(9) 0.07982(15) 0.0184(16) Uani 1 1 d . . . . .
C10' C 0.8539(9) 0.0939(9) 0.10774(19) 0.0246(19) Uani 1 1 d . . . . .
C11 C 0.7176(9) 0.7187(8) 0.17422(15) 0.0176(16) Uani 1 1 d . . . . .
C11' C 0.8678(9) 0.7630(8) 0.18398(15) 0.0175(16) Uani 1 1 d . . . . .
C12 C 0.6806(9) 0.6758(8) 0.14718(15) 0.0153(15) Uani 1 1 d . . . . .
C12' C 0.9374(9) 0.6821(8) 0.17843(16) 0.0181(16) Uani 1 1 d . . . . .
C13 C 0.5435(9) 0.6380(9) 0.13668(18) 0.0229(18) Uani 1 1 d . . . . .
H13 H 0.5211 0.6098 0.1181 0.028 Uiso 1 1 calc R . . . .
C13' C 1.0779(9) 0.7255(9) 0.18794(17) 0.0228(18) Uani 1 1 d . . . . .
H13' H 1.1244 0.6704 0.1834 0.027 Uiso 1 1 calc R . . . .
C14 C 0.4398(10) 0.6418(10) 0.15338(18) 0.0252(18) Uani 1 1 d . . . . .
H14 H 0.3453 0.6157 0.1464 0.030 Uiso 1 1 calc R . . . .
C14' C 1.1497(9) 0.8500(10) 0.20414(17) 0.027(2) Uani 1 1 d . . . . .
H14' H 1.2456 0.8796 0.2109 0.032 Uiso 1 1 calc R . . . .
C15 C 0.4725(10) 0.6829(9) 0.17995(17) 0.0240(18) Uani 1 1 d . . . . .
H15 H 0.4002 0.6846 0.1913 0.029 Uiso 1 1 calc R . . . .
C15' C 1.0834(10) 0.9314(9) 0.21058(17) 0.027(2) Uani 1 1 d . . . . .
H15' H 1.1326 1.0159 0.2219 0.033 Uiso 1 1 calc R . . . .
C16 C 0.6117(10) 0.7226(9) 0.19069(16) 0.0231(17) Uani 1 1 d . . . . .
H16 H 0.6335 0.7522 0.2092 0.028 Uiso 1 1 calc R . . . .
C16' C 0.9441(10) 0.8888(9) 0.20040(15) 0.0217(17) Uani 1 1 d . . . . .
H16' H 0.8994 0.9460 0.2046 0.026 Uiso 1 1 calc R . . . .
C17 C 0.5308(10) 0.2935(10) 0.16396(16) 0.0260(19) Uani 1 1 d . . . . .
H17 H 0.5879 0.3817 0.1758 0.031 Uiso 1 1 calc R . . . .
C18 C 0.6036(10) 0.2114(10) 0.15908(16) 0.0259(19) Uani 1 1 d . . . . .
H18 H 0.7014 0.2525 0.1683 0.031 Uiso 1 1 calc R . . . .
C19 C 0.5215(11) 0.0443(10) 0.1561(2) 0.035(2) Uani 1 1 d . . . . .
H19A H 0.5844 0.0063 0.1633 0.042 Uiso 1 1 calc R . . . .
H19B H 0.4312 0.0024 0.1674 0.042 Uiso 1 1 calc R . . . .
C20 C 0.4786(10) -0.0089(10) 0.1272(2) 0.031(2) Uani 1 1 d . . . . .
H20A H 0.5572 -0.0225 0.1189 0.038 Uiso 1 1 calc R . . . .
H20B H 0.3871 -0.1061 0.1275 0.038 Uiso 1 1 calc R . . . .
C21 C 0.4543(10) 0.0939(9) 0.10976(18) 0.0260(19) Uani 1 1 d . . . . .
H21 H 0.4593 0.0781 0.0898 0.031 Uiso 1 1 calc R . . . .
C22 C 0.3686(9) 0.1532(9) 0.11606(18) 0.028(2) Uani 1 1 d . . . . .
H22 H 0.3214 0.1727 0.1001 0.033 Uiso 1 1 calc R . . . .
C23 C 0.2827(10) 0.1200(11) 0.14273(19) 0.030(2) Uani 1 1 d . . . . .
H23A H 0.1880 0.1168 0.1393 0.036 Uiso 1 1 calc R . . . .
H23B H 0.2603 0.0219 0.1494 0.036 Uiso 1 1 calc R . . . .
C24 C 0.3687(11) 0.2354(11) 0.1644(2) 0.037(2) Uani 1 1 d . . . . .
H24A H 0.3506 0.3188 0.1621 0.044 Uiso 1 1 calc R . . . .
H24B H 0.3303 0.1916 0.1825 0.044 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Cl1 2.364(2) . ?
Rh1 P1 2.211(2) . ?
Rh1 C17 2.123(8) . ?
Rh1 C18 2.116(8) . ?
Rh1 C21 2.233(8) . ?
Rh1 C22 2.265(8) . ?
P1 O1 1.621(6) . ?
P1 O2 1.619(5) . ?
P1 C2 1.812(8) . ?
O1 C12 1.390(9) . ?
O2 C12' 1.396(9) . ?
C1 C1' 1.490(10) . ?
C1 C2 1.385(11) . ?
C1 C9 1.435(10) . ?
C1' C2' 1.394(11) . ?
C1' C9' 1.411(11) . ?
C2 C3 1.423(11) . ?
C2' H2' 0.9500 . ?
C2' C3' 1.399(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.353(12) . ?
C3' H3' 0.9500 . ?
C3' C4' 1.356(14) . ?
C4 H4 0.9500 . ?
C4 C10 1.410(12) . ?
C4' H4' 0.9500 . ?
C4' C10' 1.418(13) . ?
C5 H5 0.9500 . ?
C5 C6 1.381(13) . ?
C5 C10 1.421(11) . ?
C5' H5' 0.9500 . ?
C5' C6' 1.356(15) . ?
C5' C10' 1.414(13) . ?
C6 H6 0.9500 . ?
C6 C7 1.388(13) . ?
C6' H6' 0.9500 . ?
C6' C7' 1.395(14) . ?
C7 H7 0.9500 . ?
C7 C8 1.369(12) . ?
C7' H7' 0.9500 . ?
C7' C8' 1.362(12) . ?
C8 H8 0.9500 . ?
C8 C9 1.414(11) . ?
C8' H8' 0.9500 . ?
C8' C9' 1.413(12) . ?
C9 C10 1.425(11) . ?
C9' C10' 1.418(11) . ?
C11 C11' 1.480(11) . ?
C11 C12 1.394(10) . ?
C11 C16 1.391(11) . ?
C11' C12' 1.393(11) . ?
C11' C16' 1.405(11) . ?
C12 C13 1.385(11) . ?
C12' C13' 1.387(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.378(12) . ?
C13' H13' 0.9500 . ?
C13' C14' 1.386(12) . ?
C14 H14 0.9500 . ?
C14 C15 1.364(12) . ?
C14' H14' 0.9500 . ?
C14' C15' 1.380(14) . ?
C15 H15 0.9500 . ?
C15 C16 1.404(12) . ?
C15' H15' 0.9500 . ?
C15' C16' 1.388(12) . ?
C16 H16 0.9500 . ?
C16' H16' 0.9500 . ?
C17 H17 1.0000 . ?
C17 C18 1.426(13) . ?
C17 C24 1.491(13) . ?
C18 H18 1.0000 . ?
C18 C19 1.523(12) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.510(14) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.494(13) . ?
C21 H21 1.0000 . ?
C21 C22 1.358(13) . ?
C22 H22 1.0000 . ?
C22 C23 1.528(12) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.524(14) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 Cl1 86.00(8) . . ?
P1 Rh1 C21 162.7(2) . . ?
P1 Rh1 C22 162.0(3) . . ?
C17 Rh1 Cl1 153.5(3) . . ?
C17 Rh1 P1 93.0(3) . . ?
C17 Rh1 C21 95.7(3) . . ?
C17 Rh1 C22 80.8(3) . . ?
C18 Rh1 Cl1 167.0(3) . . ?
C18 Rh1 P1 97.0(3) . . ?
C18 Rh1 C17 39.3(4) . . ?
C18 Rh1 C21 80.6(3) . . ?
C18 Rh1 C22 88.8(3) . . ?
C21 Rh1 Cl1 92.8(2) . . ?
C21 Rh1 C22 35.1(3) . . ?
C22 Rh1 Cl1 92.2(2) . . ?
O1 P1 Rh1 113.5(2) . . ?
O1 P1 C2 98.2(3) . . ?
O2 P1 Rh1 114.0(2) . . ?
O2 P1 O1 100.6(3) . . ?
O2 P1 C2 106.2(3) . . ?
C2 P1 Rh1 121.4(3) . . ?
C12 O1 P1 115.2(5) . . ?
C12' O2 P1 124.4(5) . . ?
C2 C1 C1' 124.5(7) . . ?
C2 C1 C9 120.0(7) . . ?
C9 C1 C1' 115.4(7) . . ?
C2' C1' C1 119.8(7) . . ?
C2' C1' C9' 119.5(7) . . ?
C9' C1' C1 120.0(7) . . ?
C1 C2 P1 118.9(6) . . ?
C1 C2 C3 120.0(7) . . ?
C3 C2 P1 121.0(6) . . ?
C1' C2' H2' 119.7 . . ?
C1' C2' C3' 120.7(8) . . ?
C3' C2' H2' 119.7 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.3(8) . . ?
C4 C3 H3 119.8 . . ?
C2' C3' H3' 119.6 . . ?
C4' C3' C2' 120.8(9) . . ?
C4' C3' H3' 119.6 . . ?
C3 C4 H4 119.1 . . ?
C3 C4 C10 121.8(8) . . ?
C10 C4 H4 119.1 . . ?
C3' C4' H4' 119.8 . . ?
C3' C4' C10' 120.4(8) . . ?
C10' C4' H4' 119.8 . . ?
C6 C5 H5 119.7 . . ?
C6 C5 C10 120.6(8) . . ?
C10 C5 H5 119.7 . . ?
C6' C5' H5' 119.5 . . ?
C6' C5' C10' 121.0(9) . . ?
C10' C5' H5' 119.5 . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 119.9(8) . . ?
C7 C6 H6 120.0 . . ?
C5' C6' H6' 119.6 . . ?
C5' C6' C7' 120.7(9) . . ?
C7' C6' H6' 119.6 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.3(8) . . ?
C8 C7 H7 119.3 . . ?
C6' C7' H7' 119.9 . . ?
C8' C7' C6' 120.3(9) . . ?
C8' C7' H7' 119.9 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.7(8) . . ?
C9 C8 H8 119.7 . . ?
C7' C8' H8' 119.7 . . ?
C7' C8' C9' 120.6(9) . . ?
C9' C8' H8' 119.7 . . ?
C8 C9 C1 122.6(7) . . ?
C8 C9 C10 118.6(7) . . ?
C10 C9 C1 118.8(7) . . ?
C1' C9' C8' 121.7(8) . . ?
C1' C9' C10' 119.2(8) . . ?
C8' C9' C10' 119.1(8) . . ?
C4 C10 C5 122.2(8) . . ?
C4 C10 C9 118.9(7) . . ?
C5 C10 C9 118.8(8) . . ?
C5' C10' C4' 122.3(8) . . ?
C5' C10' C9' 118.2(9) . . ?
C9' C10' C4' 119.5(8) . . ?
C12 C11 C11' 119.4(7) . . ?
C16 C11 C11' 122.7(7) . . ?
C16 C11 C12 117.8(7) . . ?
C12' C11' C11 122.9(7) . . ?
C12' C11' C16' 117.2(7) . . ?
C16' C11' C11 119.8(7) . . ?
O1 C12 C11 118.0(7) . . ?
C13 C12 O1 120.0(7) . . ?
C13 C12 C11 122.0(7) . . ?
C11' C12' O2 119.6(7) . . ?
C13' C12' O2 118.4(7) . . ?
C13' C12' C11' 121.8(7) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.3(8) . . ?
C14 C13 H13 120.3 . . ?
C12' C13' H13' 120.3 . . ?
C14' C13' C12' 119.4(8) . . ?
C14' C13' H13' 120.3 . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.1(8) . . ?
C15 C14 H14 119.9 . . ?
C13' C14' H14' 119.7 . . ?
C15' C14' C13' 120.6(8) . . ?
C15' C14' H14' 119.7 . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C16 120.9(8) . . ?
C16 C15 H15 119.5 . . ?
C14' C15' H15' 120.3 . . ?
C14' C15' C16' 119.5(8) . . ?
C16' C15' H15' 120.3 . . ?
C11 C16 C15 119.9(7) . . ?
C11 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C11' C16' H16' 119.3 . . ?
C15' C16' C11' 121.5(8) . . ?
C15' C16' H16' 119.3 . . ?
Rh1 C17 H17 113.7 . . ?
C18 C17 Rh1 70.0(4) . . ?
C18 C17 H17 113.7 . . ?
C18 C17 C24 126.8(8) . . ?
C24 C17 Rh1 110.2(6) . . ?
C24 C17 H17 113.7 . . ?
Rh1 C18 H18 114.0 . . ?
C17 C18 Rh1 70.6(5) . . ?
C17 C18 H18 114.0 . . ?
C17 C18 C19 123.0(8) . . ?
C19 C18 Rh1 114.0(6) . . ?
C19 C18 H18 114.0 . . ?
C18 C19 H19A 108.7 . . ?
C18 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
C20 C19 C18 114.1(8) . . ?
C20 C19 H19A 108.7 . . ?
C20 C19 H19B 108.7 . . ?
C19 C20 H20A 108.9 . . ?
C19 C20 H20B 108.9 . . ?
H20A C20 H20B 107.7 . . ?
C21 C20 C19 113.6(8) . . ?
C21 C20 H20A 108.9 . . ?
C21 C20 H20B 108.9 . . ?
Rh1 C21 H21 113.6 . . ?
C20 C21 Rh1 108.8(5) . . ?
C20 C21 H21 113.6 . . ?
C22 C21 Rh1 73.7(5) . . ?
C22 C21 C20 126.1(9) . . ?
C22 C21 H21 113.6 . . ?
Rh1 C22 H22 115.0 . . ?
C21 C22 Rh1 71.2(5) . . ?
C21 C22 H22 115.0 . . ?
C21 C22 C23 122.7(9) . . ?
C23 C22 Rh1 109.9(5) . . ?
C23 C22 H22 115.0 . . ?
C22 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C24 C23 C22 111.9(7) . . ?
C24 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C17 C24 C23 114.5(8) . . ?
C17 C24 H24A 108.6 . . ?
C17 C24 H24B 108.6 . . ?
C23 C24 H24A 108.6 . . ?
C23 C24 H24B 108.6 . . ?
H24A C24 H24B 107.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 O1 C12 59.6(5) . . . . ?
Rh1 P1 O2 C12' -150.3(5) . . . . ?
Rh1 P1 C2 C1 -53.3(7) . . . . ?
Rh1 P1 C2 C3 125.7(6) . . . . ?
Rh1 C17 C18 C19 -106.6(8) . . . . ?
Rh1 C17 C24 C23 40.2(10) . . . . ?
Rh1 C18 C19 C20 8.9(11) . . . . ?
Rh1 C21 C22 C23 -102.0(8) . . . . ?
Rh1 C22 C23 C24 14.4(10) . . . . ?
P1 O1 C12 C11 81.4(7) . . . . ?
P1 O1 C12 C13 -101.3(7) . . . . ?
P1 O2 C12' C11' 65.8(9) . . . . ?
P1 O2 C12' C13' -117.7(7) . . . . ?
P1 C2 C3 C4 -178.0(6) . . . . ?
O1 P1 O2 C12' -28.4(6) . . . . ?
O1 P1 C2 C1 -177.3(6) . . . . ?
O1 P1 C2 C3 1.7(7) . . . . ?
O1 C12 C13 C14 -177.7(7) . . . . ?
O2 P1 O1 C12 -62.6(5) . . . . ?
O2 P1 C2 C1 79.0(6) . . . . ?
O2 P1 C2 C3 -102.0(7) . . . . ?
O2 C12' C13' C14' -174.3(7) . . . . ?
C1 C1' C2' C3' -169.4(8) . . . . ?
C1 C1' C9' C8' -10.9(12) . . . . ?
C1 C1' C9' C10' 168.6(7) . . . . ?
C1 C2 C3 C4 1.1(12) . . . . ?
C1 C9 C10 C4 1.3(10) . . . . ?
C1 C9 C10 C5 -179.8(7) . . . . ?
C1' C1 C2 P1 2.4(10) . . . . ?
C1' C1 C2 C3 -176.7(7) . . . . ?
C1' C1 C9 C8 -4.8(11) . . . . ?
C1' C1 C9 C10 175.7(7) . . . . ?
C1' C2' C3' C4' -0.2(14) . . . . ?
C1' C9' C10' C4' 1.6(12) . . . . ?
C1' C9' C10' C5' -177.9(8) . . . . ?
C2 P1 O1 C12 -170.9(5) . . . . ?
C2 P1 O2 C12' 73.5(7) . . . . ?
C2 C1 C1' C2' -82.6(10) . . . . ?
C2 C1 C1' C9' 106.9(9) . . . . ?
C2 C1 C9 C8 177.5(7) . . . . ?
C2 C1 C9 C10 -1.9(11) . . . . ?
C2 C3 C4 C10 -1.7(12) . . . . ?
C2' C1' C9' C8' 178.6(8) . . . . ?
C2' C1' C9' C10' -1.8(12) . . . . ?
C2' C3' C4' C10' -0.1(15) . . . . ?
C3 C4 C10 C5 -178.4(8) . . . . ?
C3 C4 C10 C9 0.6(11) . . . . ?
C3' C4' C10' C5' 178.8(9) . . . . ?
C3' C4' C10' C9' -0.7(14) . . . . ?
C5 C6 C7 C8 -0.9(13) . . . . ?
C5' C6' C7' C8' -0.5(15) . . . . ?
C6 C5 C10 C4 179.1(8) . . . . ?
C6 C5 C10 C9 0.2(12) . . . . ?
C6 C7 C8 C9 1.9(13) . . . . ?
C6' C5' C10' C4' 179.5(9) . . . . ?
C6' C5' C10' C9' -1.0(14) . . . . ?
C6' C7' C8' C9' 1.2(14) . . . . ?
C7 C8 C9 C1 178.8(7) . . . . ?
C7 C8 C9 C10 -1.8(12) . . . . ?
C7' C8' C9' C1' 177.7(8) . . . . ?
C7' C8' C9' C10' -1.8(12) . . . . ?
C8 C9 C10 C4 -178.2(7) . . . . ?
C8 C9 C10 C5 0.7(11) . . . . ?
C8' C9' C10' C4' -178.8(8) . . . . ?
C8' C9' C10' C5' 1.7(12) . . . . ?
C9 C1 C1' C2' 99.8(9) . . . . ?
C9 C1 C1' C9' -70.6(9) . . . . ?
C9 C1 C2 P1 179.8(5) . . . . ?
C9 C1 C2 C3 0.8(11) . . . . ?
C9' C1' C2' C3' 1.1(12) . . . . ?
C10 C5 C6 C7 -0.2(12) . . . . ?
C10' C5' C6' C7' 0.4(15) . . . . ?
C11 C11' C12' O2 -3.3(11) . . . . ?
C11 C11' C12' C13' -179.6(7) . . . . ?
C11 C11' C16' C15' 178.1(7) . . . . ?
C11 C12 C13 C14 -0.4(12) . . . . ?
C11' C11 C12 O1 -0.5(11) . . . . ?
C11' C11 C12 C13 -177.8(7) . . . . ?
C11' C11 C16 C15 178.3(7) . . . . ?
C11' C12' C13' C14' 2.1(12) . . . . ?
C12 C11 C11' C12' -46.6(11) . . . . ?
C12 C11 C11' C16' 135.8(8) . . . . ?
C12 C11 C16 C15 0.6(12) . . . . ?
C12 C13 C14 C15 0.2(13) . . . . ?
C12' C11' C16' C15' 0.3(11) . . . . ?
C12' C13' C14' C15' -0.7(12) . . . . ?
C13 C14 C15 C16 0.3(13) . . . . ?
C13' C14' C15' C16' -0.8(12) . . . . ?
C14 C15 C16 C11 -0.8(13) . . . . ?
C14' C15' C16' C11' 1.0(12) . . . . ?
C16 C11 C11' C12' 135.8(9) . . . . ?
C16 C11 C11' C16' -41.9(11) . . . . ?
C16 C11 C12 O1 177.3(7) . . . . ?
C16 C11 C12 C13 0.0(12) . . . . ?
C16' C11' C12' O2 174.5(7) . . . . ?
C16' C11' C12' C13' -1.9(11) . . . . ?
C17 C18 C19 C20 90.6(11) . . . . ?
C18 C17 C24 C23 -39.5(13) . . . . ?
C18 C19 C20 C21 -28.7(12) . . . . ?
C19 C20 C21 Rh1 33.1(9) . . . . ?
C19 C20 C21 C22 -50.0(12) . . . . ?
C20 C21 C22 Rh1 101.6(8) . . . . ?
C20 C21 C22 C23 -0.3(13) . . . . ?
C21 C22 C23 C24 94.2(10) . . . . ?
C22 C23 C24 C17 -36.2(12) . . . . ?
C24 C17 C18 Rh1 100.8(9) . . . . ?
C24 C17 C18 C19 -5.9(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ljh130002
_database_code_depnum_ccdc_archive 'CCDC 1483132'
_audit_update_record             
;
2016-06-02 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2015-01-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.19 svn.r3143 for OlexSys, GUI svn.r4992)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C41 H35 Cl O3 P Rh'
_chemical_formula_sum            'C41 H35 Cl O3 P Rh'
_chemical_formula_weight         745.02
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C41 H35 Cl O3 P Rh'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           145
_space_group_name_H-M_alt        'P 32'
_space_group_name_Hall           'P 32'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'

_cell_length_a                   10.6324(3)
_cell_length_b                   10.6324(3)
_cell_length_c                   24.9502(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2442.68(16)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    6208
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.3626
_cell_measurement_theta_min      3.2594
_shelx_estimated_absorpt_T_max   0.934
_shelx_estimated_absorpt_T_min   0.851
_exptl_absorpt_coefficient_mu    0.696
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1146
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_unetI/netI     0.0556
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.876
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            15538
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.822
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.425
_diffrn_reflns_theta_min         3.301
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.876
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -1.00   43.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -        9.8257  -99.0000 -150.0000 44

#__ type_ start__ end____ width___ exp.time_
  2 omega   -6.00   20.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -        9.8257   89.0000 -168.0000 26

#__ type_ start__ end____ width___ exp.time_
  3 omega   -4.00   52.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -        9.8257  -99.0000  -60.0000 56

#__ type_ start__ end____ width___ exp.time_
  4 omega  -39.00   39.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -        9.8257  -57.0000    0.0000 78

#__ type_ start__ end____ width___ exp.time_
  5 omega  -17.00   23.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -        9.8257   38.0000  -30.0000 40
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0112273000
_diffrn_orient_matrix_UB_12      0.0477909000
_diffrn_orient_matrix_UB_13      0.0165169000
_diffrn_orient_matrix_UB_21      0.0755479000
_diffrn_orient_matrix_UB_22      0.0507145000
_diffrn_orient_matrix_UB_23      -0.0006073000
_diffrn_orient_matrix_UB_31      -0.0099746000
_diffrn_orient_matrix_UB_32      0.0328120000
_diffrn_orient_matrix_UB_33      -0.0231412000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.876
_reflns_Friedel_fraction_full    0.956
_reflns_Friedel_fraction_max     0.768
_reflns_number_gt                6255
_reflns_number_total             6762
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
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_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.453
_refine_diff_density_rms         0.075
_refine_ls_abs_structure_details 
;
 Flack x determined using 2701 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.059(15)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         6762
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0351
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0263P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0638
_refine_ls_wR_factor_ref         0.0680
_refine_special_details          ?
_olex2_refinement_description    
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1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C18(H18), C19(H19), C22(H22), C23(H23)
2.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C21(H21A,H21B), C24(H24A,H24B), C25(H25A,H25B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C3'(H3'), C4(H4), C4'(H4'), C5(H5), C5'(H5'), C6(H6), C6'(H6'),
 C7(H7), C7'(H7'), C8(H8), C8'(H8'), C13(H13), C13'(H13'), C14(H14), C14'(H14'),
  C15(H15), C15'(H15'), C16(H16), C16'(H16')
2.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.38783(4) 0.14484(4) 0.10193(2) 0.01930(10) Uani 1 1 d . . . . .
Cl1 Cl 0.31938(14) 0.04296(14) 0.18909(4) 0.0251(3) Uani 1 1 d . . . . .
P1 P 0.38230(14) -0.05913(13) 0.07973(4) 0.0178(3) Uani 1 1 d . . . . .
O1 O 0.2216(4) -0.2014(3) 0.08626(11) 0.0201(7) Uani 1 1 d . . . . .
O2 O 0.4145(3) -0.0725(3) 0.01682(12) 0.0188(7) Uani 1 1 d . . . . .
O3 O 0.7521(4) 0.0420(4) 0.02130(13) 0.0318(9) Uani 1 1 d . . . . .
C1 C 0.6341(5) -0.0302(5) 0.12404(17) 0.0199(10) Uani 1 1 d . . . . .
C1' C 0.7178(5) 0.1228(5) 0.10448(18) 0.0208(10) Uani 1 1 d . . . . .
C2 C 0.4862(5) -0.1219(5) 0.11717(17) 0.0194(10) Uani 1 1 d . . . . .
C2' C 0.7828(6) 0.1567(6) 0.05416(19) 0.0243(12) Uani 1 1 d . . . . .
C3 C 0.4150(6) -0.2624(5) 0.14086(18) 0.0208(11) Uani 1 1 d . . . . .
H3 H 0.3140 -0.3249 0.1350 0.025 Uiso 1 1 calc R . . . .
C3' C 0.8802(6) 0.3006(6) 0.0394(2) 0.0394(15) Uani 1 1 d . . . . .
H3' H 0.9195 0.3224 0.0042 0.047 Uiso 1 1 calc R . . . .
C4 C 0.4898(6) -0.3085(5) 0.17186(18) 0.0226(11) Uani 1 1 d . . . . .
H4 H 0.4400 -0.4016 0.1882 0.027 Uiso 1 1 calc R . . . .
C4' C 0.9185(7) 0.4099(6) 0.0763(2) 0.0429(15) Uani 1 1 d . . . . .
H4' H 0.9860 0.5069 0.0662 0.052 Uiso 1 1 calc R . . . .
C5 C 0.7224(6) -0.2631(6) 0.21167(19) 0.0261(11) Uani 1 1 d . . . . .
H5 H 0.6739 -0.3558 0.2284 0.031 Uiso 1 1 calc R . . . .
C5' C 0.9025(7) 0.4940(6) 0.1677(2) 0.0388(15) Uani 1 1 d . . . . .
H5' H 0.9739 0.5910 0.1591 0.047 Uiso 1 1 calc R . . . .
C6 C 0.8664(6) -0.1777(6) 0.2189(2) 0.0276(12) Uani 1 1 d . . . . .
H6 H 0.9180 -0.2105 0.2404 0.033 Uiso 1 1 calc R . . . .
C6' C 0.8419(7) 0.4630(6) 0.2168(2) 0.0372(14) Uani 1 1 d . . . . .
H6' H 0.8720 0.5380 0.2427 0.045 Uiso 1 1 calc R . . . .
C7 C 0.9410(6) -0.0393(6) 0.19450(19) 0.0273(12) Uani 1 1 d . . . . .
H7 H 1.0424 0.0213 0.2000 0.033 Uiso 1 1 calc R . . . .
C7' C 0.7353(6) 0.3216(6) 0.2299(2) 0.0301(12) Uani 1 1 d . . . . .
H7' H 0.6919 0.3018 0.2644 0.036 Uiso 1 1 calc R . . . .
C8 C 0.8674(6) 0.0071(6) 0.16318(18) 0.0226(11) Uani 1 1 d . . . . .
H8 H 0.9189 0.0994 0.1463 0.027 Uiso 1 1 calc R . . . .
C8' C 0.6926(5) 0.2113(6) 0.19354(19) 0.0230(11) Uani 1 1 d . . . . .
H8' H 0.6203 0.1156 0.2033 0.028 Uiso 1 1 calc R . . . .
C9 C 0.7152(5) -0.0797(5) 0.15521(17) 0.0183(10) Uani 1 1 d . . . . .
C9' C 0.7546(5) 0.2376(5) 0.14175(18) 0.0219(11) Uani 1 1 d . . . . .
C10 C 0.6410(6) -0.2187(5) 0.17983(17) 0.0210(11) Uani 1 1 d . . . . .
C10' C 0.8609(6) 0.3829(5) 0.1283(2) 0.0300(12) Uani 1 1 d . . . . .
C11 C 0.1090(5) -0.2535(5) -0.00010(17) 0.0209(11) Uani 1 1 d . . . . .
C11' C 0.2157(6) -0.2930(5) -0.01965(16) 0.0206(11) Uani 1 1 d . . . . .
C12 C 0.1146(5) -0.2056(5) 0.05225(18) 0.0194(10) Uani 1 1 d . . . . .
C12' C 0.3634(5) -0.2085(5) -0.00799(16) 0.0192(10) Uani 1 1 d . . . . .
C13 C 0.0146(6) -0.1717(5) 0.07293(19) 0.0250(11) Uani 1 1 d . . . . .
H13 H 0.0224 -0.1390 0.1089 0.030 Uiso 1 1 calc R . . . .
C13' C 0.4632(6) -0.2487(6) -0.02233(18) 0.0251(11) Uani 1 1 d . . . . .
H13' H 0.5619 -0.1920 -0.0117 0.030 Uiso 1 1 calc R . . . .
C14 C -0.0966(6) -0.1861(6) 0.0404(2) 0.0305(12) Uani 1 1 d . . . . .
H14 H -0.1662 -0.1629 0.0538 0.037 Uiso 1 1 calc R . . . .
C14' C 0.4172(6) -0.3737(6) -0.05268(19) 0.0298(12) Uani 1 1 d . . . . .
H14' H 0.4852 -0.4017 -0.0637 0.036 Uiso 1 1 calc R . . . .
C15 C -0.1074(6) -0.2348(6) -0.0122(2) 0.0301(13) Uani 1 1 d . . . . .
H15 H -0.1848 -0.2458 -0.0345 0.036 Uiso 1 1 calc R . . . .
C15' C 0.2736(6) -0.4569(6) -0.06682(19) 0.0294(12) Uani 1 1 d . . . . .
H15' H 0.2429 -0.5415 -0.0880 0.035 Uiso 1 1 calc R . . . .
C16 C -0.0054(5) -0.2667(5) -0.03188(19) 0.0254(11) Uani 1 1 d . . . . .
H16 H -0.0130 -0.2986 -0.0679 0.031 Uiso 1 1 calc R . . . .
C16' C 0.1726(6) -0.4176(5) -0.05012(17) 0.0241(11) Uani 1 1 d . . . . .
H16' H 0.0733 -0.4767 -0.0597 0.029 Uiso 1 1 calc R . . . .
C17 C 0.8089(7) 0.0762(7) -0.0323(2) 0.0460(17) Uani 1 1 d . . . . .
H17A H 0.7813 -0.0140 -0.0518 0.069 Uiso 1 1 calc GR . . . .
H17B H 0.9150 0.1356 -0.0309 0.069 Uiso 1 1 calc GR . . . .
H17C H 0.7691 0.1301 -0.0507 0.069 Uiso 1 1 calc GR . . . .
C18 C 0.3362(6) 0.1788(6) 0.02376(17) 0.0283(13) Uani 1 1 d . . . . .
H18 H 0.3040 0.0932 -0.0005 0.034 Uiso 1 1 calc R . . . .
C19 C 0.4875(6) 0.2613(6) 0.03036(17) 0.0260(12) Uani 1 1 d . . . . .
H19 H 0.5418 0.2220 0.0103 0.031 Uiso 1 1 calc R . . . .
C20 C 0.5719(6) 0.4233(6) 0.0376(2) 0.0314(13) Uani 1 1 d . . . . .
H20A H 0.5243 0.4669 0.0166 0.038 Uiso 1 1 calc R . . . .
H20B H 0.6707 0.4607 0.0229 0.038 Uiso 1 1 calc R . . . .
C21 C 0.5849(6) 0.4738(6) 0.0965(2) 0.0311(13) Uani 1 1 d . . . . .
H21A H 0.6775 0.4882 0.1114 0.037 Uiso 1 1 calc R . . . .
H21B H 0.5890 0.5688 0.0972 0.037 Uiso 1 1 calc R . . . .
C22 C 0.4631(6) 0.3704(6) 0.1320(2) 0.0286(12) Uani 1 1 d . . . . .
H22 H 0.4866 0.3838 0.1711 0.034 Uiso 1 1 calc R . . . .
C23 C 0.3200(6) 0.3116(6) 0.1209(2) 0.0277(12) Uani 1 1 d . . . . .
H23 H 0.2563 0.2885 0.1531 0.033 Uiso 1 1 calc R . . . .
C24 C 0.2624(7) 0.3463(6) 0.0707(2) 0.0348(13) Uani 1 1 d . . . . .
H24A H 0.3345 0.4444 0.0577 0.042 Uiso 1 1 calc R . . . .
H24B H 0.1719 0.3469 0.0794 0.042 Uiso 1 1 calc R . . . .
C25 C 0.2316(6) 0.2353(6) 0.0263(2) 0.0370(14) Uani 1 1 d . . . . .
H25A H 0.1324 0.1519 0.0315 0.044 Uiso 1 1 calc R . . . .
H25B H 0.2333 0.2804 -0.0086 0.044 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Cl1 2.3757(12) . ?
Rh1 P1 2.2104(13) . ?
Rh1 C18 2.106(4) . ?
Rh1 C19 2.129(4) . ?
Rh1 C22 2.243(5) . ?
Rh1 C23 2.273(5) . ?
P1 O1 1.628(3) . ?
P1 O2 1.628(3) . ?
P1 C2 1.810(5) . ?
O1 C12 1.402(6) . ?
O2 C12' 1.409(5) . ?
O3 C2' 1.366(6) . ?
O3 C17 1.437(6) . ?
C1 C1' 1.494(7) . ?
C1 C2 1.385(7) . ?
C1 C9 1.442(6) . ?
C1' C2' 1.391(7) . ?
C1' C9' 1.425(7) . ?
C2 C3 1.422(7) . ?
C2' C3' 1.402(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.365(7) . ?
C3' H3' 0.9500 . ?
C3' C4' 1.375(8) . ?
C4 H4 0.9500 . ?
C4 C10 1.415(7) . ?
C4' H4' 0.9500 . ?
C4' C10' 1.403(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.346(7) . ?
C5 C10 1.418(7) . ?
C5' H5' 0.9500 . ?
C5' C6' 1.346(8) . ?
C5' C10' 1.425(8) . ?
C6 H6 0.9500 . ?
C6 C7 1.413(8) . ?
C6' H6' 0.9500 . ?
C6' C7' 1.396(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.361(7) . ?
C7' H7' 0.9500 . ?
C7' C8' 1.369(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.420(7) . ?
C8' H8' 0.9500 . ?
C8' C9' 1.413(6) . ?
C9 C10 1.420(7) . ?
C9' C10' 1.425(7) . ?
C11 C11' 1.476(7) . ?
C11 C12 1.392(6) . ?
C11 C16 1.399(7) . ?
C11' C12' 1.395(7) . ?
C11' C16' 1.392(6) . ?
C12 C13 1.382(7) . ?
C12' C13' 1.376(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.379(7) . ?
C13' H13' 0.9500 . ?
C13' C14' 1.389(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.394(7) . ?
C14' H14' 0.9500 . ?
C14' C15' 1.374(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.379(8) . ?
C15' H15' 0.9500 . ?
C15' C16' 1.397(7) . ?
C16 H16 0.9500 . ?
C16' H16' 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.404(8) . ?
C18 C25 1.506(8) . ?
C19 H19 1.0000 . ?
C19 C20 1.504(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.547(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.498(7) . ?
C22 H22 1.0000 . ?
C22 C23 1.353(7) . ?
C23 H23 1.0000 . ?
C23 C24 1.519(7) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.530(7) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 Cl1 86.00(4) . . ?
P1 Rh1 C22 162.30(15) . . ?
P1 Rh1 C23 162.61(14) . . ?
C18 Rh1 Cl1 151.57(16) . . ?
C18 Rh1 P1 93.15(14) . . ?
C18 Rh1 C19 38.7(2) . . ?
C18 Rh1 C22 96.32(19) . . ?
C18 Rh1 C23 81.2(2) . . ?
C19 Rh1 Cl1 169.39(15) . . ?
C19 Rh1 P1 96.99(14) . . ?
C19 Rh1 C22 81.42(19) . . ?
C19 Rh1 C23 88.90(19) . . ?
C22 Rh1 Cl1 92.63(13) . . ?
C22 Rh1 C23 34.86(19) . . ?
C23 Rh1 Cl1 91.19(14) . . ?
O1 P1 Rh1 112.77(13) . . ?
O1 P1 O2 100.64(17) . . ?
O1 P1 C2 99.00(19) . . ?
O2 P1 Rh1 115.06(12) . . ?
O2 P1 C2 105.77(19) . . ?
C2 P1 Rh1 120.71(15) . . ?
C12 O1 P1 115.3(3) . . ?
C12' O2 P1 121.5(3) . . ?
C2' O3 C17 116.7(4) . . ?
C2 C1 C1' 125.1(4) . . ?
C2 C1 C9 119.0(4) . . ?
C9 C1 C1' 115.7(4) . . ?
C2' C1' C1 121.7(4) . . ?
C2' C1' C9' 118.6(4) . . ?
C9' C1' C1 118.6(4) . . ?
C1 C2 P1 119.5(4) . . ?
C1 C2 C3 120.6(4) . . ?
C3 C2 P1 119.9(4) . . ?
O3 C2' C1' 116.4(4) . . ?
O3 C2' C3' 122.2(4) . . ?
C1' C2' C3' 121.4(5) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.9(5) . . ?
C4 C3 H3 119.6 . . ?
C2' C3' H3' 120.3 . . ?
C4' C3' C2' 119.4(5) . . ?
C4' C3' H3' 120.3 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C10 120.5(4) . . ?
C10 C4 H4 119.8 . . ?
C3' C4' H4' 118.9 . . ?
C3' C4' C10' 122.2(5) . . ?
C10' C4' H4' 118.9 . . ?
C6 C5 H5 119.1 . . ?
C6 C5 C10 121.8(5) . . ?
C10 C5 H5 119.1 . . ?
C6' C5' H5' 119.6 . . ?
C6' C5' C10' 120.8(5) . . ?
C10' C5' H5' 119.6 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.2(5) . . ?
C7 C6 H6 119.9 . . ?
C5' C6' H6' 119.7 . . ?
C5' C6' C7' 120.6(5) . . ?
C7' C6' H6' 119.7 . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 119.9(5) . . ?
C8 C7 H7 120.0 . . ?
C6' C7' H7' 119.7 . . ?
C8' C7' C6' 120.7(5) . . ?
C8' C7' H7' 119.7 . . ?
C7 C8 H8 119.3 . . ?
C7 C8 C9 121.3(5) . . ?
C9 C8 H8 119.3 . . ?
C7' C8' H8' 119.5 . . ?
C7' C8' C9' 120.9(5) . . ?
C9' C8' H8' 119.5 . . ?
C8 C9 C1 122.2(4) . . ?
C8 C9 C10 118.3(4) . . ?
C10 C9 C1 119.4(4) . . ?
C8' C9' C1' 121.7(4) . . ?
C8' C9' C10' 117.9(4) . . ?
C10' C9' C1' 120.3(4) . . ?
C4 C10 C5 122.0(5) . . ?
C4 C10 C9 119.6(4) . . ?
C5 C10 C9 118.4(5) . . ?
C4' C10' C5' 123.0(5) . . ?
C4' C10' C9' 117.9(5) . . ?
C9' C10' C5' 119.1(5) . . ?
C12 C11 C11' 121.0(4) . . ?
C12 C11 C16 116.4(5) . . ?
C16 C11 C11' 122.5(4) . . ?
C12' C11' C11 121.7(4) . . ?
C16' C11' C11 121.2(5) . . ?
C16' C11' C12' 117.1(5) . . ?
C11 C12 O1 117.7(4) . . ?
C13 C12 O1 118.9(4) . . ?
C13 C12 C11 123.2(4) . . ?
C11' C12' O2 119.0(4) . . ?
C13' C12' O2 118.1(4) . . ?
C13' C12' C11' 122.7(4) . . ?
C12 C13 H13 120.7 . . ?
C14 C13 C12 118.7(5) . . ?
C14 C13 H13 120.7 . . ?
C12' C13' H13' 120.6 . . ?
C12' C13' C14' 118.8(5) . . ?
C14' C13' H13' 120.6 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.2(5) . . ?
C15 C14 H14 119.9 . . ?
C13' C14' H14' 119.9 . . ?
C15' C14' C13' 120.2(5) . . ?
C15' C14' H14' 119.9 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.8(5) . . ?
C16 C15 H15 120.1 . . ?
C14' C15' H15' 119.9 . . ?
C14' C15' C16' 120.3(5) . . ?
C16' C15' H15' 119.9 . . ?
C11 C16 H16 119.2 . . ?
C15 C16 C11 121.7(5) . . ?
C15 C16 H16 119.2 . . ?
C11' C16' C15' 120.7(5) . . ?
C11' C16' H16' 119.6 . . ?
C15' C16' H16' 119.6 . . ?
O3 C17 H17A 109.5 . . ?
O3 C17 H17B 109.5 . . ?
O3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Rh1 C18 H18 113.8 . . ?
C19 C18 Rh1 71.5(3) . . ?
C19 C18 H18 113.8 . . ?
C19 C18 C25 126.1(5) . . ?
C25 C18 Rh1 109.7(3) . . ?
C25 C18 H18 113.8 . . ?
Rh1 C19 H19 113.6 . . ?
C18 C19 Rh1 69.7(3) . . ?
C18 C19 H19 113.6 . . ?
C18 C19 C20 124.7(5) . . ?
C20 C19 Rh1 113.8(3) . . ?
C20 C19 H19 113.6 . . ?
C19 C20 H20A 108.7 . . ?
C19 C20 H20B 108.7 . . ?
C19 C20 C21 114.2(4) . . ?
H20A C20 H20B 107.6 . . ?
C21 C20 H20A 108.7 . . ?
C21 C20 H20B 108.7 . . ?
C20 C21 H21A 108.7 . . ?
C20 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 C20 114.3(4) . . ?
C22 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
Rh1 C22 H22 114.1 . . ?
C21 C22 Rh1 107.6(3) . . ?
C21 C22 H22 114.1 . . ?
C23 C22 Rh1 73.7(3) . . ?
C23 C22 C21 125.3(5) . . ?
C23 C22 H22 114.1 . . ?
Rh1 C23 H23 114.6 . . ?
C22 C23 Rh1 71.4(3) . . ?
C22 C23 H23 114.6 . . ?
C22 C23 C24 123.6(5) . . ?
C24 C23 Rh1 110.0(3) . . ?
C24 C23 H23 114.6 . . ?
C23 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
C23 C24 C25 111.4(4) . . ?
H24A C24 H24B 108.0 . . ?
C25 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
C18 C25 C24 115.0(4) . . ?
C18 C25 H25A 108.5 . . ?
C18 C25 H25B 108.5 . . ?
C24 C25 H25A 108.5 . . ?
C24 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 O1 C12 64.5(3) . . . . ?
Rh1 P1 O2 C12' -155.6(3) . . . . ?
Rh1 P1 C2 C1 -54.3(4) . . . . ?
Rh1 P1 C2 C3 123.4(3) . . . . ?
Rh1 C18 C19 C20 -105.5(4) . . . . ?
Rh1 C18 C25 C24 40.0(6) . . . . ?
Rh1 C19 C20 C21 6.6(6) . . . . ?
Rh1 C22 C23 C24 -102.1(5) . . . . ?
Rh1 C23 C24 C25 14.0(6) . . . . ?
P1 O1 C12 C11 81.4(4) . . . . ?
P1 O1 C12 C13 -102.8(4) . . . . ?
P1 O2 C12' C11' 73.2(5) . . . . ?
P1 O2 C12' C13' -110.2(4) . . . . ?
P1 C2 C3 C4 -176.1(3) . . . . ?
O1 P1 O2 C12' -34.1(4) . . . . ?
O1 P1 C2 C1 -177.7(4) . . . . ?
O1 P1 C2 C3 0.1(4) . . . . ?
O1 C12 C13 C14 -175.4(4) . . . . ?
O2 P1 O1 C12 -58.6(3) . . . . ?
O2 P1 C2 C1 78.5(4) . . . . ?
O2 P1 C2 C3 -103.8(4) . . . . ?
O2 C12' C13' C14' -172.1(4) . . . . ?
O3 C2' C3' C4' -173.2(5) . . . . ?
C1 C1' C2' O3 7.3(7) . . . . ?
C1 C1' C2' C3' -169.5(5) . . . . ?
C1 C1' C9' C8' -11.6(7) . . . . ?
C1 C1' C9' C10' 165.6(5) . . . . ?
C1 C2 C3 C4 1.6(7) . . . . ?
C1 C9 C10 C4 2.2(6) . . . . ?
C1 C9 C10 C5 -178.0(4) . . . . ?
C1' C1 C2 P1 2.5(6) . . . . ?
C1' C1 C2 C3 -175.3(4) . . . . ?
C1' C1 C9 C8 -5.0(6) . . . . ?
C1' C1 C9 C10 173.8(4) . . . . ?
C1' C2' C3' C4' 3.5(9) . . . . ?
C1' C9' C10' C4' 5.0(7) . . . . ?
C1' C9' C10' C5' -175.9(5) . . . . ?
C2 P1 O1 C12 -166.7(3) . . . . ?
C2 P1 O2 C12' 68.5(4) . . . . ?
C2 C1 C1' C2' -90.9(6) . . . . ?
C2 C1 C1' C9' 101.0(5) . . . . ?
C2 C1 C9 C8 178.8(4) . . . . ?
C2 C1 C9 C10 -2.4(6) . . . . ?
C2 C3 C4 C10 -1.8(7) . . . . ?
C2' C1' C9' C8' 179.9(4) . . . . ?
C2' C1' C9' C10' -2.9(7) . . . . ?
C2' C3' C4' C10' -1.3(9) . . . . ?
C3 C4 C10 C5 -179.9(4) . . . . ?
C3 C4 C10 C9 -0.1(7) . . . . ?
C3' C4' C10' C5' 177.9(6) . . . . ?
C3' C4' C10' C9' -2.9(9) . . . . ?
C5 C6 C7 C8 -0.8(7) . . . . ?
C5' C6' C7' C8' 1.4(8) . . . . ?
C6 C5 C10 C4 179.6(5) . . . . ?
C6 C5 C10 C9 -0.1(7) . . . . ?
C6 C7 C8 C9 1.4(7) . . . . ?
C6' C5' C10' C4' 178.6(5) . . . . ?
C6' C5' C10' C9' -0.5(8) . . . . ?
C6' C7' C8' C9' -0.4(8) . . . . ?
C7 C8 C9 C1 177.3(4) . . . . ?
C7 C8 C9 C10 -1.4(7) . . . . ?
C7' C8' C9' C1' 176.3(4) . . . . ?
C7' C8' C9' C10' -1.1(7) . . . . ?
C8 C9 C10 C4 -179.0(4) . . . . ?
C8 C9 C10 C5 0.8(6) . . . . ?
C8' C9' C10' C4' -177.7(5) . . . . ?
C8' C9' C10' C5' 1.5(7) . . . . ?
C9 C1 C1' C2' 93.2(6) . . . . ?
C9 C1 C1' C9' -74.9(6) . . . . ?
C9 C1 C2 P1 178.3(3) . . . . ?
C9 C1 C2 C3 0.5(7) . . . . ?
C9' C1' C2' O3 175.4(4) . . . . ?
C9' C1' C2' C3' -1.4(8) . . . . ?
C10 C5 C6 C7 0.1(7) . . . . ?
C10' C5' C6' C7' -1.0(9) . . . . ?
C11 C11' C12' O2 -8.6(6) . . . . ?
C11 C11' C12' C13' 175.0(4) . . . . ?
C11 C11' C16' C15' -177.7(4) . . . . ?
C11 C12 C13 C14 0.2(7) . . . . ?
C11' C11 C12 O1 -2.3(6) . . . . ?
C11' C11 C12 C13 -177.9(4) . . . . ?
C11' C11 C16 C15 177.4(5) . . . . ?
C11' C12' C13' C14' 4.3(7) . . . . ?
C12 C11 C11' C12' -43.3(6) . . . . ?
C12 C11 C11' C16' 136.0(5) . . . . ?
C12 C11 C16 C15 -0.3(7) . . . . ?
C12 C13 C14 C15 0.3(8) . . . . ?
C12' C11' C16' C15' 1.6(6) . . . . ?
C12' C13' C14' C15' -1.6(7) . . . . ?
C13 C14 C15 C16 -0.8(8) . . . . ?
C13' C14' C15' C16' -0.9(7) . . . . ?
C14 C15 C16 C11 0.8(8) . . . . ?
C14' C15' C16' C11' 0.9(7) . . . . ?
C16 C11 C11' C12' 139.1(5) . . . . ?
C16 C11 C11' C16' -41.6(6) . . . . ?
C16 C11 C12 O1 175.4(4) . . . . ?
C16 C11 C12 C13 -0.2(7) . . . . ?
C16' C11' C12' O2 172.1(4) . . . . ?
C16' C11' C12' C13' -4.3(6) . . . . ?
C17 O3 C2' C1' 175.0(5) . . . . ?
C17 O3 C2' C3' -8.2(7) . . . . ?
C18 C19 C20 C21 87.7(6) . . . . ?
C19 C18 C25 C24 -41.0(7) . . . . ?
C19 C20 C21 C22 -27.0(7) . . . . ?
C20 C21 C22 Rh1 32.2(5) . . . . ?
C20 C21 C22 C23 -50.0(7) . . . . ?
C21 C22 C23 Rh1 100.4(5) . . . . ?
C21 C22 C23 C24 -1.7(8) . . . . ?
C22 C23 C24 C25 94.4(6) . . . . ?
C23 C24 C25 C18 -35.8(7) . . . . ?
C25 C18 C19 Rh1 101.3(5) . . . . ?
C25 C18 C19 C20 -4.2(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ljh150003_fa
_database_code_depnum_ccdc_archive 'CCDC 1483133'
_audit_update_record             
;
2016-06-02 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2015-02-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H37 Cl O2 P Rh'
_chemical_formula_sum            'C42 H37 Cl O2 P Rh'
_chemical_formula_weight         743.04
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C88 H84 O3 P2 Cl2 Rh2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.46454(10)
_cell_length_b                   18.62602(18)
_cell_length_c                   18.5228(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.0930(9)
_cell_angle_gamma                90
_cell_volume                     3607.92(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    39177
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      27.8890
_cell_measurement_theta_min      3.4440
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.899
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.943
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            115490
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.914
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.231
_diffrn_reflns_theta_min         3.302
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 16.1500
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -74.00    6.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -77.0000  -60.0000 80

#__ type_ start__ end____ width___ exp.time_
  2 omega   -1.00   44.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   57.0000 -120.0000 45

#__ type_ start__ end____ width___ exp.time_
  3 omega  -44.00   44.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   57.0000   60.0000 88

#__ type_ start__ end____ width___ exp.time_
  4 omega  -39.00   -2.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000  -30.0000 37

#__ type_ start__ end____ width___ exp.time_
  5 omega  -53.00   55.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   77.0000  -60.0000 108

#__ type_ start__ end____ width___ exp.time_
  6 omega  -83.00   16.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -77.0000   90.0000 99

#__ type_ start__ end____ width___ exp.time_
  7 omega  -89.00   -1.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000 -180.0000 88

#__ type_ start__ end____ width___ exp.time_
  8 omega  -83.00   53.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   19.0000 -150.0000 136

#__ type_ start__ end____ width___ exp.time_
  9 omega   22.00   66.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826  -99.0000 -180.0000 44

#__ type_ start__ end____ width___ exp.time_
 10 omega -100.00  -35.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889 -178.0000   60.0000 65

#__ type_ start__ end____ width___ exp.time_
 11 omega -100.00  -35.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889 -178.0000 -150.0000 65

#__ type_ start__ end____ width___ exp.time_
 12 omega  -93.00   15.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -38.0000   90.0000 108

#__ type_ start__ end____ width___ exp.time_
 13 omega  -89.00    7.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000    0.0000 96

#__ type_ start__ end____ width___ exp.time_
 14 omega  -89.00    7.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000 -150.0000 96

#__ type_ start__ end____ width___ exp.time_
 15 omega   -4.00   66.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826  -99.0000   90.0000 70

#__ type_ start__ end____ width___ exp.time_
 16 omega   53.00  103.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826 -178.0000    0.0000 50

#__ type_ start__ end____ width___ exp.time_
 17 omega  -89.00    3.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000  -30.0000 92

#__ type_ start__ end____ width___ exp.time_
 18 omega  -53.00   55.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   77.0000  -30.0000 108

#__ type_ start__ end____ width___ exp.time_
 19 omega  -89.00    7.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000   60.0000 96

#__ type_ start__ end____ width___ exp.time_
 20 omega  -15.00   93.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826   77.0000 -120.0000 108

#__ type_ start__ end____ width___ exp.time_
 21 omega   -4.00   66.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826  -99.0000 -150.0000 70

#__ type_ start__ end____ width___ exp.time_
 22 omega  -53.00   54.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826  -77.0000  150.0000 107
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0454215000
_diffrn_orient_matrix_UB_12      0.0021915000
_diffrn_orient_matrix_UB_13      -0.0274238000
_diffrn_orient_matrix_UB_21      0.0334751000
_diffrn_orient_matrix_UB_22      -0.0296835000
_diffrn_orient_matrix_UB_23      0.0154577000
_diffrn_orient_matrix_UB_31      -0.0376830000
_diffrn_orient_matrix_UB_32      -0.0237408000
_diffrn_orient_matrix_UB_33      -0.0218387000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.880
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.882
_reflns_number_gt                14020
_reflns_number_total             16266
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.438
_refine_diff_density_min         -0.888
_refine_diff_density_rms         0.058
_refine_ls_abs_structure_details 
;
 Flack x determined using 6029 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.013(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     889
_refine_ls_number_reflns         16266
_refine_ls_number_restraints     1097
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0340
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0348P)²+1.2673P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.0802
_refine_special_details          
;
Two phenyl rings have been modelled as disordered 
over two positions. The occupancies of the parts 
were allowed to refine until convergence while 
being treated isotropically. Upon convergence, the 
occupancies were fixed before anisotropy was 
introduced. Restraints were applied as necessary. 
There appears to be one solvent molecule (diethyl 
ether) in the unit cell for every two equivalents of 
the complex. This could not be modelled in a 
sensible way as there appeared to be a large 
number of orientations manifest within the 
structure. The solvent was hence masked out using 
the Olex2 solvent mask routine.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 P2-O4 \\sim P2-O4"
 with sigma of 0.02
 C36'-C36 \\sim C36"-C36
 with sigma of 0.02
 O1-C12 \\sim O1-C12"
 with sigma of 0.02
 C11'-C11 \\sim C11"-C11'
 with sigma of 0.02
 P1-O1 \\sim P1-O1"
 with sigma of 0.02
 O1"-C12" \\sim O1-C12
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C36') = Uanis(C36")
Uanis(C38') = Uanis(C38")
Uanis(C39') = Uanis(C39")
Uanis(C40') = Uanis(C40")
Uanis(C41') = Uanis(C41")
Uanis(C42') = Uanis(C42")
Uanis(O4) = Uanis(O4")
Uanis(C37') = Uanis(C37")
Uanis(C36') = Uanis(C36")
Uanis(C41') = Uanis(C41")
Uanis(C40') = Uanis(C40")
Uanis(C39') = Uanis(C39")
Uanis(C38') = Uanis(C38")
Uanis(C42') = Uanis(C42")
Uanis(O4) = Uanis(O4") = Uanis(P2)
Uanis(C11) = Uanis(C11")
Uanis(C16) = Uanis(C16")
Uanis(C15) = Uanis(C15")
Uanis(C14) = Uanis(C14")
Uanis(C13) = Uanis(C13")
Uanis(C12) = Uanis(C12")
Uanis(C17) = Uanis(C17")
Uanis(C11') = Uanis(C11") = Uanis(C11)
Uanis(O1) = Uanis(O1")
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Same fragment restrains
{O4, C36', C37', C38', C39', C40', C41', C42'} sigma for 1-2: 0.02, 1-3: 0.02
as
{O4", C36", C37", C38", C39", C40", C41", C42"}
{C11, C12, C13, C14, C15, C16, C17} sigma for 1-2: 0.02, 1-3: 0.02
as
{C11", C12", C13", C14", C15", C16", C17"}
6. Others
 Fixed Sof: O1(0.52442) O4(0.47382) C36'(0.47382) C37'(0.47382) C38'(0.47382)
 C39'(0.47382) H39'(0.47382) C40'(0.47382) H40'(0.47382) C41'(0.47382)
 H41'(0.47382) C42'(0.47382) H42D(0.47382) H42E(0.47382) H42F(0.47382)
 C11(0.52442) C12(0.52442) C13(0.52442) C14(0.52442) H14(0.52442) C15(0.52442)
 H15(0.52442) C16(0.52442) H16(0.52442) C17(0.52442) H17D(0.52442)
 H17E(0.52442) H17F(0.52442) O1"(0.47558) O4"(0.52618) C36"(0.52618)
 C37"(0.52618) C38"(0.52618) C39"(0.52618) H39"(0.52618) C40"(0.52618)
 H40"(0.52618) C41"(0.52618) H41"(0.52618) C42"(0.52618) H42G(0.52618)
 H42H(0.52618) H42I(0.52618) C11"(0.47558) C12"(0.47558) C13"(0.47558)
 C14"(0.47558) H14"(0.47558) C15"(0.47558) H15"(0.47558) C16"(0.47558)
 H16"(0.47558) C17"(0.47558) H17G(0.47558) H17H(0.47558) H17I(0.47558)
7.a Ternary CH refined with riding coordinates:
 C18(H18), C19(H19), C22(H22), C23(H23), C43(H43), C44(H44), C47(H47), C48(H48)
7.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C21(H21A,H21B), C24(H24A,H24B), C25(H25A,H25B), C45(H45A,
 H45B), C46(H46A,H46B), C49(H49A,H49B), C50(H50A,H50B)
7.c Aromatic/amide H refined with riding coordinates:
 C2'(H2'), C3(H3), C3'(H3'), C4(H4), C4'(H4'), C5(H5), C5'(H5'), C6(H6),
 C6'(H6'), C7(H7), C7'(H7'), C8(H8), C8'(H8'), C14'(H14'), C15'(H15'),
 C16'(H16'), C27'(H27'), C28(H28), C28'(H28'), C29(H29), C29'(H29'), C30(H30),
 C30'(H30'), C31(H31), C31'(H31'), C32(H32), C32'(H32'), C33(H33), C33'(H33'),
 C39(H39), C40(H40), C41(H41), C39'(H39'), C40'(H40'), C41'(H41'), C14(H14),
 C15(H15), C16(H16), C39"(H39"), C40"(H40"), C41"(H41"), C14"(H14"), C15"(H15"),
  C16"(H16")
7.d Idealised Me refined as rotating group:
 C17'(H17A,H17B,H17C), C42(H42A,H42B,H42C), C42'(H42D,H42E,H42F), C17(H17D,
 H17E,H17F), C42"(H42G,H42H,H42I), C17"(H17G,H17H,H17I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.26750(3) 0.69712(2) 0.48397(2) 0.02631(10) Uani 1 1 d . U . . .
Rh2 Rh 0.23928(4) 0.26980(2) 0.01350(2) 0.03426(13) Uani 1 1 d . U . . .
Cl1 Cl 0.25277(15) 0.82181(9) 0.50734(10) 0.0416(4) Uani 1 1 d . U . . .
Cl2 Cl 0.25707(16) 0.14611(10) -0.00998(10) 0.0514(5) Uani 1 1 d . U . . .
P1 P 0.10117(10) 0.70584(8) 0.40712(6) 0.0233(3) Uani 1 1 d D U . . .
P2 P 0.40594(11) 0.25859(9) 0.09007(7) 0.0294(3) Uani 1 1 d D U . . .
O2 O -0.0377(2) 0.7043(2) 0.44200(14) 0.0208(6) Uani 1 1 d . U . . .
O3 O 0.5447(3) 0.2599(2) 0.05518(15) 0.0258(7) Uani 1 1 d . U . . .
C1 C -0.0126(4) 0.8297(3) 0.3383(2) 0.0233(9) Uani 1 1 d . U . . .
C1' C -0.1453(4) 0.8169(2) 0.3628(2) 0.0228(8) Uani 1 1 d . U . . .
C2 C 0.0895(4) 0.7845(3) 0.3503(3) 0.0266(11) Uani 1 1 d . U . . .
C2' C -0.2293(4) 0.7792(3) 0.3173(3) 0.0317(11) Uani 1 1 d . U . . .
H2' H -0.1998 0.7593 0.2737 0.038 Uiso 1 1 calc R . . . .
C3 C 0.2081(5) 0.7964(3) 0.3166(3) 0.0385(13) Uani 1 1 d . U . . .
H3 H 0.2793 0.7663 0.3280 0.046 Uiso 1 1 calc R . . . .
C3' C -0.3578(4) 0.7700(2) 0.3352(3) 0.0372(10) Uani 1 1 d . U . . .
H3' H -0.4142 0.7432 0.3042 0.045 Uiso 1 1 calc R . . . .
C4 C 0.2196(5) 0.8513(3) 0.2678(3) 0.0415(13) Uani 1 1 d . U . . .
H4 H 0.2954 0.8555 0.2414 0.050 Uiso 1 1 calc R . . . .
C4' C -0.4014(5) 0.7998(3) 0.3972(3) 0.0354(11) Uani 1 1 d . U . . .
H4' H -0.4885 0.7937 0.4086 0.042 Uiso 1 1 calc R . . . .
C5 C 0.1304(5) 0.9602(3) 0.2083(3) 0.0421(13) Uani 1 1 d . U . . .
H5 H 0.2047 0.9644 0.1807 0.050 Uiso 1 1 calc R . . . .
C5' C -0.3632(5) 0.8712(3) 0.5084(3) 0.0400(11) Uani 1 1 d . U . . .
H5' H -0.4509 0.8673 0.5195 0.048 Uiso 1 1 calc R . . . .
C6 C 0.0375(5) 1.0103(3) 0.2009(3) 0.0397(13) Uani 1 1 d . U . . .
H6 H 0.0459 1.0488 0.1678 0.048 Uiso 1 1 calc R . . . .
C6' C -0.2815(5) 0.9072(2) 0.5536(3) 0.0418(11) Uani 1 1 d . U . . .
H6' H -0.3125 0.9292 0.5958 0.050 Uiso 1 1 calc R . . . .
C7 C -0.0704(5) 1.0051(3) 0.2423(3) 0.0322(12) Uani 1 1 d . U . . .
H7 H -0.1325 1.0423 0.2400 0.039 Uiso 1 1 calc R . . . .
C7' C -0.1525(5) 0.9122(2) 0.5387(2) 0.0386(11) Uani 1 1 d . U . . .
H7' H -0.0959 0.9365 0.5717 0.046 Uiso 1 1 calc R . . . .
C8 C -0.0886(4) 0.9470(3) 0.2861(2) 0.0250(10) Uani 1 1 d . U . . .
H8 H -0.1656 0.9432 0.3115 0.030 Uiso 1 1 calc R . . . .
C8' C -0.1055(5) 0.8828(3) 0.4771(3) 0.0287(11) Uani 1 1 d . U . . .
H8' H -0.0173 0.8872 0.4676 0.034 Uiso 1 1 calc R . . . .
C9 C 0.0047(5) 0.8929(3) 0.2943(2) 0.0237(10) Uani 1 1 d . U . . .
C9' C -0.1888(4) 0.8459(2) 0.4278(2) 0.0237(8) Uani 1 1 d . U . . .
C10 C 0.1199(5) 0.9014(3) 0.2563(3) 0.0304(11) Uani 1 1 d . U . . .
C10' C -0.3192(4) 0.8396(3) 0.4448(3) 0.0288(9) Uani 1 1 d . U . . .
C11' C -0.1223(4) 0.5854(3) 0.4251(3) 0.0249(9) Uani 1 1 d D U . . .
C12' C -0.0773(4) 0.6383(3) 0.4718(3) 0.0228(10) Uani 1 1 d . U . . .
C13' C -0.0735(4) 0.6325(3) 0.5466(2) 0.0232(10) Uani 1 1 d . U . . .
C14' C -0.1135(4) 0.5674(3) 0.5752(3) 0.0308(11) Uani 1 1 d . U . . .
H14' H -0.1109 0.5609 0.6262 0.037 Uiso 1 1 calc R . . . .
C15' C -0.1572(5) 0.5117(3) 0.5310(3) 0.0331(12) Uani 1 1 d . U . . .
H15' H -0.1837 0.4676 0.5514 0.040 Uiso 1 1 calc R . . . .
C16' C -0.1618(5) 0.5214(3) 0.4557(3) 0.0307(11) Uani 1 1 d . U . . .
H16' H -0.1923 0.4836 0.4252 0.037 Uiso 1 1 calc R . . . .
C17' C -0.0330(4) 0.6940(4) 0.5940(2) 0.0349(11) Uani 1 1 d . U . . .
H17A H 0.0526 0.7100 0.5814 0.052 Uiso 1 1 calc GR . . . .
H17B H -0.0314 0.6787 0.6447 0.052 Uiso 1 1 calc GR . . . .
H17C H -0.0936 0.7338 0.5871 0.052 Uiso 1 1 calc GR . . . .
C18 C 0.3400(5) 0.6030(3) 0.4370(3) 0.0388(13) Uani 1 1 d . U . . .
H18 H 0.3073 0.5943 0.3864 0.047 Uiso 1 1 calc R . . . .
C19 C 0.2537(5) 0.5832(3) 0.4900(3) 0.0260(12) Uani 1 1 d . U . . .
H19 H 0.1709 0.5638 0.4695 0.031 Uiso 1 1 calc R . . . .
C20 C 0.2907(5) 0.5527(3) 0.5630(3) 0.0347(12) Uani 1 1 d . U . . .
H20A H 0.3716 0.5256 0.5593 0.042 Uiso 1 1 calc R . . . .
H20B H 0.2238 0.5186 0.5775 0.042 Uiso 1 1 calc R . . . .
C21 C 0.3084(5) 0.6102(3) 0.6216(3) 0.0331(12) Uani 1 1 d . U . . .
H21A H 0.2251 0.6192 0.6435 0.040 Uiso 1 1 calc R . . . .
H21B H 0.3680 0.5918 0.6600 0.040 Uiso 1 1 calc R . . . .
C22 C 0.3596(4) 0.6800(3) 0.5937(3) 0.0332(12) Uani 1 1 d . U . . .
H22 H 0.3490 0.7214 0.6274 0.040 Uiso 1 1 calc R . . . .
C23 C 0.4580(4) 0.6883(4) 0.5479(3) 0.0389(13) Uani 1 1 d . U . . .
H23 H 0.5054 0.7347 0.5537 0.047 Uiso 1 1 calc R . . . .
C24 C 0.5361(5) 0.6274(4) 0.5177(3) 0.0499(15) Uani 1 1 d . U . . .
H24A H 0.6246 0.6444 0.5112 0.060 Uiso 1 1 calc R . . . .
H24B H 0.5400 0.5876 0.5532 0.060 Uiso 1 1 calc R . . . .
C25 C 0.4822(5) 0.5992(4) 0.4463(3) 0.0483(15) Uani 1 1 d . U . . .
H25A H 0.5204 0.6267 0.4068 0.058 Uiso 1 1 calc R . . . .
H25B H 0.5088 0.5485 0.4412 0.058 Uiso 1 1 calc R . . . .
C26 C 0.5058(4) 0.1255(3) 0.1506(2) 0.0256(10) Uani 1 1 d . U . . .
C26' C 0.6212(4) 0.1244(2) 0.1039(2) 0.0292(9) Uani 1 1 d . U . . .
C27 C 0.4152(4) 0.1788(3) 0.1464(3) 0.0315(13) Uani 1 1 d . U . . .
C27' C 0.6183(6) 0.0946(3) 0.0378(3) 0.0392(14) Uani 1 1 d . U . . .
H27' H 0.5405 0.0753 0.0182 0.047 Uiso 1 1 calc R . . . .
C28 C 0.3079(5) 0.1751(3) 0.1919(3) 0.0452(16) Uani 1 1 d . U . . .
H28 H 0.2417 0.2096 0.1859 0.054 Uiso 1 1 calc R . . . .
C28' C 0.7308(5) 0.0917(3) -0.0031(3) 0.0493(13) Uani 1 1 d . U . . .
H28' H 0.7285 0.0700 -0.0496 0.059 Uiso 1 1 calc R . . . .
C29 C 0.2979(5) 0.1245(4) 0.2426(3) 0.0519(17) Uani 1 1 d . U . . .
H29 H 0.2270 0.1248 0.2731 0.062 Uiso 1 1 calc R . . . .
C29' C 0.8431(5) 0.1204(3) 0.0251(3) 0.0474(13) Uani 1 1 d . U . . .
H29' H 0.9181 0.1182 -0.0021 0.057 Uiso 1 1 calc R . . . .
C30 C 0.3847(5) 0.0170(3) 0.3048(3) 0.0409(14) Uani 1 1 d . U . . .
H30 H 0.3184 0.0189 0.3384 0.049 Uiso 1 1 calc R . . . .
C30' C 0.9638(4) 0.1843(3) 0.1220(3) 0.0496(13) Uani 1 1 d . U . . .
H30' H 1.0399 0.1828 0.0956 0.060 Uiso 1 1 calc R . . . .
C31 C 0.4727(5) -0.0378(3) 0.3088(3) 0.0353(12) Uani 1 1 d . U . . .
H31 H 0.4666 -0.0738 0.3449 0.042 Uiso 1 1 calc R . . . .
C31' C 0.9663(4) 0.2167(3) 0.1873(3) 0.0521(13) Uani 1 1 d . U . . .
H31' H 1.0435 0.2377 0.2057 0.063 Uiso 1 1 calc R . . . .
C32 C 0.5711(5) -0.0406(3) 0.2599(3) 0.0299(11) Uani 1 1 d . U . . .
H32 H 0.6311 -0.0789 0.2628 0.036 Uiso 1 1 calc R . . . .
C32' C 0.8564(4) 0.2197(3) 0.2282(3) 0.0400(11) Uani 1 1 d . U . . .
H32' H 0.8588 0.2426 0.2741 0.048 Uiso 1 1 calc R . . . .
C33 C 0.5824(4) 0.0108(3) 0.2080(3) 0.0254(10) Uani 1 1 d . U . . .
H33 H 0.6502 0.0080 0.1753 0.030 Uiso 1 1 calc R . . . .
C33' C 0.7449(4) 0.1891(3) 0.2013(3) 0.0334(11) Uani 1 1 d . U . . .
H33' H 0.6710 0.1906 0.2296 0.040 Uiso 1 1 calc R . . . .
C34 C 0.4924(4) 0.0693(3) 0.2023(3) 0.0244(10) Uani 1 1 d . U . . .
C34' C 0.7366(4) 0.1556(2) 0.1336(2) 0.0300(9) Uani 1 1 d . U . . .
C35 C 0.3922(5) 0.0705(3) 0.2509(3) 0.0356(12) Uani 1 1 d . U . . .
C35' C 0.8484(5) 0.1518(3) 0.0911(3) 0.0396(12) Uani 1 1 d . U . . .
C36 C 0.6203(5) 0.3814(3) 0.0679(3) 0.0292(10) Uani 1 1 d D U . . .
C37 C 0.5789(4) 0.3248(3) 0.0232(3) 0.0241(10) Uani 1 1 d . U . . .
C38 C 0.5760(5) 0.3294(3) -0.0515(3) 0.0299(11) Uani 1 1 d . U . . .
C39 C 0.6097(5) 0.3956(3) -0.0806(3) 0.0365(12) Uani 1 1 d . U . . .
H39 H 0.6045 0.4017 -0.1316 0.044 Uiso 1 1 calc R . . . .
C40 C 0.6496(5) 0.4515(3) -0.0386(3) 0.0407(13) Uani 1 1 d . U . . .
H40 H 0.6721 0.4955 -0.0607 0.049 Uiso 1 1 calc R . . . .
C41 C 0.6578(5) 0.4457(3) 0.0339(3) 0.0386(13) Uani 1 1 d . U . . .
H41 H 0.6889 0.4849 0.0623 0.046 Uiso 1 1 calc R . . . .
C42 C 0.5393(5) 0.2656(4) -0.0977(3) 0.0414(13) Uani 1 1 d . U . . .
H42A H 0.6005 0.2265 -0.0884 0.062 Uiso 1 1 calc GR . . . .
H42B H 0.5402 0.2792 -0.1488 0.062 Uiso 1 1 calc GR . . . .
H42C H 0.4533 0.2495 -0.0860 0.062 Uiso 1 1 calc GR . . . .
C43 C 0.2558(6) 0.3843(4) 0.0103(3) 0.0378(15) Uani 1 1 d . U . . .
H43 H 0.3373 0.4036 0.0324 0.045 Uiso 1 1 calc R . . . .
C44 C 0.1644(5) 0.3641(3) 0.0604(3) 0.0428(14) Uani 1 1 d . U . . .
H44 H 0.1938 0.3715 0.1118 0.051 Uiso 1 1 calc R . . . .
C45 C 0.0205(6) 0.3677(4) 0.0487(5) 0.071(2) Uani 1 1 d . U . . .
H45A H -0.0073 0.4182 0.0542 0.085 Uiso 1 1 calc R . . . .
H45B H -0.0198 0.3391 0.0867 0.085 Uiso 1 1 calc R . . . .
C46 C -0.0274(6) 0.3403(5) -0.0252(5) 0.079(2) Uani 1 1 d . U . . .
H46A H -0.1167 0.3235 -0.0215 0.095 Uiso 1 1 calc R . . . .
H46B H -0.0276 0.3806 -0.0600 0.095 Uiso 1 1 calc R . . . .
C47 C 0.0522(6) 0.2798(4) -0.0540(4) 0.0608(18) Uani 1 1 d . U . . .
H47 H 0.0047 0.2336 -0.0607 0.073 Uiso 1 1 calc R . . . .
C48 C 0.1492(6) 0.2877(4) -0.0971(3) 0.0512(16) Uani 1 1 d . U . . .
H48 H 0.1605 0.2468 -0.1312 0.061 Uiso 1 1 calc R . . . .
C49 C 0.2062(7) 0.3583(3) -0.1221(3) 0.0536(16) Uani 1 1 d . U . . .
H49A H 0.2915 0.3486 -0.1414 0.064 Uiso 1 1 calc R . . . .
H49B H 0.1513 0.3777 -0.1621 0.064 Uiso 1 1 calc R . . . .
C50 C 0.2202(6) 0.4146(3) -0.0641(3) 0.0438(14) Uani 1 1 d . U . . .
H50A H 0.1385 0.4411 -0.0614 0.053 Uiso 1 1 calc R . . . .
H50B H 0.2867 0.4493 -0.0778 0.053 Uiso 1 1 calc R . . . .
O1 O 0.0930(19) 0.6355(14) 0.3556(16) 0.025(3) Uani 0.5244 1 d D U P A 1
O4 O 0.4033(7) 0.3195(6) 0.1470(5) 0.0294(3) Uani 0.4738 1 d D U P B 1
C36' C 0.6135(16) 0.3697(16) 0.1495(6) 0.0287(16) Uani 0.4738 1 d D U P B 1
C37' C 0.5117(13) 0.3383(13) 0.1858(6) 0.0257(16) Uani 0.4738 1 d D U P B 1
C38' C 0.5074(11) 0.3311(8) 0.2614(6) 0.0262(18) Uani 0.4738 1 d D U P B 1
C39' C 0.6144(12) 0.3579(8) 0.2998(7) 0.033(2) Uani 0.4738 1 d D U P B 1
H39' H 0.6157 0.3555 0.3511 0.039 Uiso 0.4738 1 calc R . P B 1
C40' C 0.7150(12) 0.3868(9) 0.2683(7) 0.035(2) Uani 0.4738 1 d D U P B 1
H40' H 0.7865 0.4019 0.2975 0.042 Uiso 0.4738 1 calc R . P B 1
C41' C 0.7180(15) 0.3954(13) 0.1932(7) 0.036(2) Uani 0.4738 1 d D U P B 1
H41' H 0.7887 0.4180 0.1719 0.043 Uiso 0.4738 1 calc R . P B 1
C42' C 0.3977(11) 0.2962(9) 0.2944(7) 0.037(2) Uani 0.4738 1 d D U P B 1
H42D H 0.3234 0.2981 0.2607 0.056 Uiso 0.4738 1 calc GR . P B 1
H42E H 0.3779 0.3212 0.3392 0.056 Uiso 0.4738 1 calc GR . P B 1
H42F H 0.4189 0.2460 0.3052 0.056 Uiso 0.4738 1 calc GR . P B 1
C11 C -0.1139(10) 0.5945(9) 0.3446(5) 0.0249(9) Uani 0.5244 1 d D U P A 1
C12 C -0.0156(17) 0.629(2) 0.3107(7) 0.030(2) Uani 0.5244 1 d D U P A 1
C13 C 0.0008(9) 0.6315(9) 0.2368(6) 0.028(2) Uani 0.5244 1 d D U P A 1
C14 C -0.1033(9) 0.6096(8) 0.1944(6) 0.031(2) Uani 0.5244 1 d D U P A 1
H14 H -0.1021 0.6156 0.1435 0.037 Uiso 0.5244 1 calc R . P A 1
C15 C -0.2111(10) 0.5785(8) 0.2253(6) 0.034(2) Uani 0.5244 1 d D U P A 1
H15 H -0.2807 0.5625 0.1952 0.041 Uiso 0.5244 1 calc R . P A 1
C16 C -0.2158(11) 0.5713(11) 0.2997(7) 0.033(3) Uani 0.5244 1 d D U P A 1
H16 H -0.2889 0.5504 0.3202 0.039 Uiso 0.5244 1 calc R . P A 1
C17 C 0.1135(12) 0.6671(12) 0.2036(8) 0.038(3) Uani 0.5244 1 d D U P A 1
H17D H 0.1058 0.7193 0.2083 0.057 Uiso 0.5244 1 calc GR . P A 1
H17E H 0.1155 0.6543 0.1523 0.057 Uiso 0.5244 1 calc GR . P A 1
H17F H 0.1926 0.6510 0.2285 0.057 Uiso 0.5244 1 calc GR . P A 1
O1" O 0.090(2) 0.6431(16) 0.3470(18) 0.025(3) Uani 0.4756 1 d D U P A 2
O4" O 0.4286(7) 0.3272(5) 0.1496(5) 0.0294(3) Uani 0.5262 1 d D U P B 2
C36" C 0.6402(14) 0.3770(14) 0.1451(6) 0.0287(16) Uani 0.5262 1 d D U P B 2
C37" C 0.5453(12) 0.3459(11) 0.1856(6) 0.0257(16) Uani 0.5262 1 d D U P B 2
C38" C 0.5558(9) 0.3421(7) 0.2618(5) 0.0262(18) Uani 0.5262 1 d D U P B 2
C39" C 0.6702(11) 0.3691(7) 0.2942(6) 0.033(2) Uani 0.5262 1 d D U P B 2
H39" H 0.6821 0.3665 0.3453 0.039 Uiso 0.5262 1 calc R . P B 2
C40" C 0.7619(10) 0.3982(8) 0.2558(6) 0.035(2) Uani 0.5262 1 d D U P B 2
H40" H 0.8364 0.4165 0.2802 0.042 Uiso 0.5262 1 calc R . P B 2
C41" C 0.7517(13) 0.4025(12) 0.1810(7) 0.036(2) Uani 0.5262 1 d D U P B 2
H41" H 0.8192 0.4224 0.1545 0.043 Uiso 0.5262 1 calc R . P B 2
C42" C 0.4527(10) 0.3119(8) 0.3040(6) 0.037(2) Uani 0.5262 1 d D U P B 2
H42G H 0.3705 0.3316 0.2863 0.056 Uiso 0.5262 1 calc GR . P B 2
H42H H 0.4668 0.3245 0.3550 0.056 Uiso 0.5262 1 calc GR . P B 2
H42I H 0.4518 0.2596 0.2987 0.056 Uiso 0.5262 1 calc GR . P B 2
C11" C -0.1397(11) 0.5973(10) 0.3469(6) 0.0249(9) Uani 0.4756 1 d D U P A 2
C12" C -0.0295(19) 0.619(2) 0.3104(8) 0.030(2) Uani 0.4756 1 d D U P A 2
C13" C -0.0416(11) 0.6355(11) 0.2357(7) 0.028(2) Uani 0.4756 1 d D U P A 2
C14" C -0.1528(10) 0.6141(9) 0.1982(7) 0.031(2) Uani 0.4756 1 d D U P A 2
H14" H -0.1565 0.6170 0.1470 0.037 Uiso 0.4756 1 calc R . P A 2
C15" C -0.2590(11) 0.5885(9) 0.2335(7) 0.034(2) Uani 0.4756 1 d D U P A 2
H15" H -0.3362 0.5771 0.2074 0.041 Uiso 0.4756 1 calc R . P A 2
C16" C -0.2483(13) 0.5802(13) 0.3078(8) 0.033(3) Uani 0.4756 1 d D U P A 2
H16" H -0.3193 0.5618 0.3325 0.039 Uiso 0.4756 1 calc R . P A 2
C17" C 0.0707(13) 0.6605(13) 0.1936(9) 0.038(3) Uani 0.4756 1 d D U P A 2
H17G H 0.0772 0.7129 0.1965 0.057 Uiso 0.4756 1 calc GR . P A 2
H17H H 0.0584 0.6460 0.1429 0.057 Uiso 0.4756 1 calc GR . P A 2
H17I H 0.1493 0.6388 0.2139 0.057 Uiso 0.4756 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Cl1 2.3686(17) . ?
Rh1 P1 2.2139(12) . ?
Rh1 C18 2.110(5) . ?
Rh1 C19 2.131(6) . ?
Rh1 C22 2.240(5) . ?
Rh1 C23 2.287(5) . ?
Rh2 Cl2 2.353(2) . ?
Rh2 P2 2.2173(13) . ?
Rh2 C43 2.141(7) . ?
Rh2 C44 2.122(6) . ?
Rh2 C47 2.291(6) . ?
Rh2 C48 2.248(6) . ?
P1 O2 1.612(3) . ?
P1 C2 1.804(5) . ?
P1 O1 1.621(14) . ?
P1 O1" 1.616(15) . ?
P2 O3 1.611(3) . ?
P2 C27 1.816(5) . ?
P2 O4 1.550(10) . ?
P2 O4" 1.698(9) . ?
O2 C12' 1.416(6) . ?
O3 C37 1.400(6) . ?
C1 C1' 1.495(6) . ?
C1 C2 1.373(6) . ?
C1 C9 1.447(6) . ?
C1' C2' 1.386(6) . ?
C1' C9' 1.411(6) . ?
C2 C3 1.427(6) . ?
C2' H2' 0.9500 . ?
C2' C3' 1.407(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(7) . ?
C3' H3' 0.9500 . ?
C3' C4' 1.369(7) . ?
C4 H4 0.9500 . ?
C4 C10 1.410(7) . ?
C4' H4' 0.9500 . ?
C4' C10' 1.418(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.351(8) . ?
C5 C10 1.416(7) . ?
C5' H5' 0.9500 . ?
C5' C6' 1.352(7) . ?
C5' C10' 1.410(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.391(7) . ?
C6' H6' 0.9500 . ?
C6' C7' 1.391(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.370(7) . ?
C7' H7' 0.9500 . ?
C7' C8' 1.372(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.407(7) . ?
C8' H8' 0.9500 . ?
C8' C9' 1.417(6) . ?
C9 C10 1.427(6) . ?
C9' C10' 1.416(6) . ?
C11' C12' 1.380(7) . ?
C11' C16' 1.390(7) . ?
C11' C11 1.507(11) . ?
C11' C11" 1.470(12) . ?
C12' C13' 1.389(6) . ?
C13' C14' 1.395(7) . ?
C13' C17' 1.496(7) . ?
C14' H14' 0.9500 . ?
C14' C15' 1.388(7) . ?
C15' H15' 0.9500 . ?
C15' C16' 1.406(7) . ?
C16' H16' 0.9500 . ?
C17' H17A 0.9800 . ?
C17' H17B 0.9800 . ?
C17' H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.408(8) . ?
C18 C25 1.493(7) . ?
C19 H19 1.0000 . ?
C19 C20 1.502(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.531(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.505(7) . ?
C22 H22 1.0000 . ?
C22 C23 1.366(7) . ?
C23 H23 1.0000 . ?
C23 C24 1.518(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.513(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C26' 1.511(6) . ?
C26 C27 1.374(7) . ?
C26 C34 1.428(7) . ?
C26' C27' 1.344(7) . ?
C26' C34' 1.432(6) . ?
C27 C28 1.430(6) . ?
C27' H27' 0.9500 . ?
C27' C28' 1.425(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.337(7) . ?
C28' H28' 0.9500 . ?
C28' C29' 1.377(8) . ?
C29 H29 0.9500 . ?
C29 C35 1.413(7) . ?
C29' H29' 0.9500 . ?
C29' C35' 1.354(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.375(7) . ?
C30 C35 1.415(7) . ?
C30' H30' 0.9500 . ?
C30' C31' 1.350(8) . ?
C30' C35' 1.451(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.397(7) . ?
C31' H31' 0.9500 . ?
C31' C32' 1.402(7) . ?
C32 H32 0.9500 . ?
C32 C33 1.365(7) . ?
C32' H32' 0.9500 . ?
C32' C33' 1.376(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.441(7) . ?
C33' H33' 0.9500 . ?
C33' C34' 1.400(7) . ?
C34 C35 1.408(7) . ?
C34' C35' 1.435(6) . ?
C36 C37 1.400(7) . ?
C36 C41 1.416(8) . ?
C36 C36' 1.531(12) . ?
C36 C36" 1.438(11) . ?
C37 C38 1.385(7) . ?
C38 C39 1.397(8) . ?
C38 C42 1.506(8) . ?
C39 H39 0.9500 . ?
C39 C40 1.357(8) . ?
C40 H40 0.9500 . ?
C40 C41 1.346(8) . ?
C41 H41 0.9500 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43 1.0000 . ?
C43 C44 1.408(8) . ?
C43 C50 1.522(8) . ?
C44 H44 1.0000 . ?
C44 C45 1.515(8) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.529(11) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C47 1.509(11) . ?
C47 H47 1.0000 . ?
C47 C48 1.322(9) . ?
C48 H48 1.0000 . ?
C48 C49 1.524(8) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.504(8) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
O1 C12 1.390(15) . ?
O4 C37' 1.366(12) . ?
C36' C37' 1.407(13) . ?
C36' C41' 1.418(14) . ?
C37' C38' 1.410(12) . ?
C38' C39' 1.396(14) . ?
C38' C42' 1.471(14) . ?
C39' H39' 0.9500 . ?
C39' C40' 1.336(14) . ?
C40' H40' 0.9500 . ?
C40' C41' 1.402(15) . ?
C41' H41' 0.9500 . ?
C42' H42D 0.9800 . ?
C42' H42E 0.9800 . ?
C42' H42F 0.9800 . ?
C11 C12 1.378(13) . ?
C11 C16 1.397(13) . ?
C12 C13 1.388(13) . ?
C13 C14 1.381(13) . ?
C13 C17 1.504(12) . ?
C14 H14 0.9500 . ?
C14 C15 1.408(13) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(13) . ?
C16 H16 0.9500 . ?
C17 H17D 0.9800 . ?
C17 H17E 0.9800 . ?
C17 H17F 0.9800 . ?
O1" C12" 1.466(16) . ?
O4" C37" 1.413(11) . ?
C36" C37" 1.392(12) . ?
C36" C41" 1.405(12) . ?
C37" C38" 1.415(11) . ?
C38" C39" 1.412(13) . ?
C38" C42" 1.466(12) . ?
C39" H39" 0.9500 . ?
C39" C40" 1.331(13) . ?
C40" H40" 0.9500 . ?
C40" C41" 1.387(12) . ?
C41" H41" 0.9500 . ?
C42" H42G 0.9800 . ?
C42" H42H 0.9800 . ?
C42" H42I 0.9800 . ?
C11" C12" 1.418(14) . ?
C11" C16" 1.363(13) . ?
C12" C13" 1.418(14) . ?
C13" C14" 1.392(13) . ?
C13" C17" 1.507(13) . ?
C14" H14" 0.9500 . ?
C14" C15" 1.393(14) . ?
C15" H15" 0.9500 . ?
C15" C16" 1.386(14) . ?
C16" H16" 0.9500 . ?
C17" H17G 0.9800 . ?
C17" H17H 0.9800 . ?
C17" H17I 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 Cl1 89.47(5) . . ?
P1 Rh1 C22 153.63(13) . . ?
P1 Rh1 C23 171.16(13) . . ?
C18 Rh1 Cl1 156.44(16) . . ?
C18 Rh1 P1 94.71(16) . . ?
C18 Rh1 C19 38.8(2) . . ?
C18 Rh1 C22 96.1(2) . . ?
C18 Rh1 C23 80.5(2) . . ?
C19 Rh1 Cl1 164.18(14) . . ?
C19 Rh1 P1 93.08(15) . . ?
C19 Rh1 C22 80.7(2) . . ?
C19 Rh1 C23 87.8(2) . . ?
C22 Rh1 Cl1 90.13(15) . . ?
C22 Rh1 C23 35.11(17) . . ?
C23 Rh1 Cl1 92.11(18) . . ?
P2 Rh2 Cl2 87.72(6) . . ?
P2 Rh2 C47 173.18(18) . . ?
P2 Rh2 C48 152.96(17) . . ?
C43 Rh2 Cl2 164.42(18) . . ?
C43 Rh2 P2 92.83(16) . . ?
C43 Rh2 C47 88.4(3) . . ?
C43 Rh2 C48 81.9(2) . . ?
C44 Rh2 Cl2 156.76(16) . . ?
C44 Rh2 P2 96.29(17) . . ?
C44 Rh2 C43 38.6(2) . . ?
C44 Rh2 C47 80.5(3) . . ?
C44 Rh2 C48 95.8(2) . . ?
C47 Rh2 Cl2 92.9(2) . . ?
C48 Rh2 Cl2 90.58(18) . . ?
C48 Rh2 C47 33.9(2) . . ?
O2 P1 Rh1 116.11(11) . . ?
O2 P1 C2 101.9(2) . . ?
O2 P1 O1 101.1(10) . . ?
O2 P1 O1" 102.6(11) . . ?
C2 P1 Rh1 117.97(18) . . ?
O1 P1 Rh1 110.0(7) . . ?
O1 P1 C2 108.2(13) . . ?
O1" P1 Rh1 115.2(8) . . ?
O1" P1 C2 100.6(15) . . ?
O3 P2 Rh2 116.19(12) . . ?
O3 P2 C27 102.3(2) . . ?
O3 P2 O4" 98.2(3) . . ?
C27 P2 Rh2 117.94(18) . . ?
O4 P2 Rh2 109.5(4) . . ?
O4 P2 O3 107.5(3) . . ?
O4 P2 C27 102.1(4) . . ?
O4" P2 Rh2 115.6(3) . . ?
O4" P2 C27 103.9(4) . . ?
C12' O2 P1 116.9(3) . . ?
C37 O3 P2 115.5(3) . . ?
C2 C1 C1' 125.4(4) . . ?
C2 C1 C9 118.6(4) . . ?
C9 C1 C1' 115.9(4) . . ?
C2' C1' C1 118.1(4) . . ?
C2' C1' C9' 119.7(4) . . ?
C9' C1' C1 122.0(4) . . ?
C1 C2 P1 129.0(4) . . ?
C1 C2 C3 121.1(5) . . ?
C3 C2 P1 109.9(4) . . ?
C1' C2' H2' 119.7 . . ?
C1' C2' C3' 120.6(5) . . ?
C3' C2' H2' 119.7 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.2(5) . . ?
C4 C3 H3 119.9 . . ?
C2' C3' H3' 120.0 . . ?
C4' C3' C2' 119.9(4) . . ?
C4' C3' H3' 120.0 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C10 120.6(5) . . ?
C10 C4 H4 119.7 . . ?
C3' C4' H4' 119.3 . . ?
C3' C4' C10' 121.3(4) . . ?
C10' C4' H4' 119.3 . . ?
C6 C5 H5 119.1 . . ?
C6 C5 C10 121.7(5) . . ?
C10 C5 H5 119.1 . . ?
C6' C5' H5' 119.8 . . ?
C6' C5' C10' 120.4(5) . . ?
C10' C5' H5' 119.8 . . ?
C5 C6 H6 120.3 . . ?
C5 C6 C7 119.4(5) . . ?
C7 C6 H6 120.3 . . ?
C5' C6' H6' 119.7 . . ?
C5' C6' C7' 120.5(4) . . ?
C7' C6' H6' 119.7 . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 121.0(5) . . ?
C8 C7 H7 119.5 . . ?
C6' C7' H7' 119.4 . . ?
C8' C7' C6' 121.1(5) . . ?
C8' C7' H7' 119.4 . . ?
C7 C8 H8 119.4 . . ?
C7 C8 C9 121.2(4) . . ?
C9 C8 H8 119.4 . . ?
C7' C8' H8' 120.0 . . ?
C7' C8' C9' 119.9(5) . . ?
C9' C8' H8' 120.0 . . ?
C8 C9 C1 122.9(4) . . ?
C8 C9 C10 117.6(5) . . ?
C10 C9 C1 119.5(4) . . ?
C1' C9' C8' 121.8(4) . . ?
C1' C9' C10' 120.1(4) . . ?
C8' C9' C10' 118.2(4) . . ?
C4 C10 C5 122.1(5) . . ?
C4 C10 C9 119.1(5) . . ?
C5 C10 C9 118.8(5) . . ?
C5' C10' C4' 121.9(4) . . ?
C5' C10' C9' 119.9(4) . . ?
C9' C10' C4' 118.2(4) . . ?
C12' C11' C16' 117.2(4) . . ?
C12' C11' C11 120.6(7) . . ?
C12' C11' C11" 122.5(8) . . ?
C16' C11' C11 121.9(7) . . ?
C16' C11' C11" 120.1(8) . . ?
C11' C12' O2 118.2(4) . . ?
C11' C12' C13' 124.5(5) . . ?
C13' C12' O2 117.2(4) . . ?
C12' C13' C14' 116.6(5) . . ?
C12' C13' C17' 121.6(5) . . ?
C14' C13' C17' 121.7(4) . . ?
C13' C14' H14' 119.3 . . ?
C15' C14' C13' 121.5(5) . . ?
C15' C14' H14' 119.3 . . ?
C14' C15' H15' 120.4 . . ?
C14' C15' C16' 119.3(5) . . ?
C16' C15' H15' 120.4 . . ?
C11' C16' C15' 120.9(5) . . ?
C11' C16' H16' 119.5 . . ?
C15' C16' H16' 119.5 . . ?
C13' C17' H17A 109.5 . . ?
C13' C17' H17B 109.5 . . ?
C13' C17' H17C 109.5 . . ?
H17A C17' H17B 109.5 . . ?
H17A C17' H17C 109.5 . . ?
H17B C17' H17C 109.5 . . ?
Rh1 C18 H18 113.9 . . ?
C19 C18 Rh1 71.4(3) . . ?
C19 C18 H18 113.9 . . ?
C19 C18 C25 124.7(5) . . ?
C25 C18 Rh1 111.4(4) . . ?
C25 C18 H18 113.9 . . ?
Rh1 C19 H19 113.4 . . ?
C18 C19 Rh1 69.8(3) . . ?
C18 C19 H19 113.4 . . ?
C18 C19 C20 125.1(5) . . ?
C20 C19 Rh1 114.0(4) . . ?
C20 C19 H19 113.4 . . ?
C19 C20 H20A 108.9 . . ?
C19 C20 H20B 108.9 . . ?
C19 C20 C21 113.2(5) . . ?
H20A C20 H20B 107.8 . . ?
C21 C20 H20A 108.9 . . ?
C21 C20 H20B 108.9 . . ?
C20 C21 H21A 108.9 . . ?
C20 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
C22 C21 C20 113.4(4) . . ?
C22 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
Rh1 C22 H22 113.8 . . ?
C21 C22 Rh1 106.7(3) . . ?
C21 C22 H22 113.8 . . ?
C23 C22 Rh1 74.3(3) . . ?
C23 C22 C21 126.6(5) . . ?
C23 C22 H22 113.8 . . ?
Rh1 C23 H23 114.4 . . ?
C22 C23 Rh1 70.6(3) . . ?
C22 C23 H23 114.4 . . ?
C22 C23 C24 124.9(6) . . ?
C24 C23 Rh1 109.5(4) . . ?
C24 C23 H23 114.4 . . ?
C23 C24 H24A 108.9 . . ?
C23 C24 H24B 108.9 . . ?
H24A C24 H24B 107.8 . . ?
C25 C24 C23 113.2(4) . . ?
C25 C24 H24A 108.9 . . ?
C25 C24 H24B 108.9 . . ?
C18 C25 C24 114.9(5) . . ?
C18 C25 H25A 108.5 . . ?
C18 C25 H25B 108.5 . . ?
C24 C25 H25A 108.5 . . ?
C24 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
C27 C26 C26' 122.8(4) . . ?
C27 C26 C34 119.0(4) . . ?
C34 C26 C26' 118.3(4) . . ?
C27' C26' C26 122.4(5) . . ?
C27' C26' C34' 120.5(4) . . ?
C34' C26' C26 117.1(4) . . ?
C26 C27 P2 130.3(4) . . ?
C26 C27 C28 119.1(5) . . ?
C28 C27 P2 110.6(4) . . ?
C26' C27' H27' 119.7 . . ?
C26' C27' C28' 120.6(6) . . ?
C28' C27' H27' 119.7 . . ?
C27 C28 H28 118.9 . . ?
C29 C28 C27 122.2(5) . . ?
C29 C28 H28 118.9 . . ?
C27' C28' H28' 120.2 . . ?
C29' C28' C27' 119.5(5) . . ?
C29' C28' H28' 120.2 . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C35 120.4(4) . . ?
C35 C29 H29 119.8 . . ?
C28' C29' H29' 119.4 . . ?
C35' C29' C28' 121.2(5) . . ?
C35' C29' H29' 119.4 . . ?
C31 C30 H30 119.8 . . ?
C31 C30 C35 120.5(5) . . ?
C35 C30 H30 119.8 . . ?
C31' C30' H30' 119.1 . . ?
C31' C30' C35' 121.9(4) . . ?
C35' C30' H30' 119.1 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.1(5) . . ?
C32 C31 H31 120.0 . . ?
C30' C31' H31' 119.6 . . ?
C30' C31' C32' 120.8(5) . . ?
C32' C31' H31' 119.6 . . ?
C31 C32 H32 119.5 . . ?
C33 C32 C31 121.0(5) . . ?
C33 C32 H32 119.5 . . ?
C31' C32' H32' 120.4 . . ?
C33' C32' C31' 119.3(5) . . ?
C33' C32' H32' 120.4 . . ?
C32 C33 H33 119.7 . . ?
C32 C33 C34 120.6(5) . . ?
C34 C33 H33 119.7 . . ?
C32' C33' H33' 118.9 . . ?
C32' C33' C34' 122.2(4) . . ?
C34' C33' H33' 118.9 . . ?
C26 C34 C33 121.6(4) . . ?
C35 C34 C26 120.7(5) . . ?
C35 C34 C33 117.8(5) . . ?
C26' C34' C35' 117.5(4) . . ?
C33' C34' C26' 123.3(4) . . ?
C33' C34' C35' 119.2(4) . . ?
C29 C35 C30 121.5(5) . . ?
C34 C35 C29 118.4(5) . . ?
C34 C35 C30 120.1(5) . . ?
C29' C35' C30' 122.9(5) . . ?
C29' C35' C34' 120.6(5) . . ?
C34' C35' C30' 116.6(5) . . ?
C37 C36 C41 117.2(5) . . ?
C37 C36 C36' 116.9(10) . . ?
C37 C36 C36" 125.1(10) . . ?
C41 C36 C36' 125.7(10) . . ?
C41 C36 C36" 117.3(9) . . ?
C36 C37 O3 118.6(4) . . ?
C38 C37 O3 118.6(5) . . ?
C38 C37 C36 122.8(5) . . ?
C37 C38 C39 116.3(5) . . ?
C37 C38 C42 121.0(5) . . ?
C39 C38 C42 122.7(4) . . ?
C38 C39 H39 118.9 . . ?
C40 C39 C38 122.2(5) . . ?
C40 C39 H39 118.9 . . ?
C39 C40 H40 119.4 . . ?
C41 C40 C39 121.2(5) . . ?
C41 C40 H40 119.4 . . ?
C36 C41 H41 119.9 . . ?
C40 C41 C36 120.2(6) . . ?
C40 C41 H41 119.9 . . ?
C38 C42 H42A 109.5 . . ?
C38 C42 H42B 109.5 . . ?
C38 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Rh2 C43 H43 114.5 . . ?
C44 C43 Rh2 70.0(4) . . ?
C44 C43 H43 114.5 . . ?
C44 C43 C50 123.1(5) . . ?
C50 C43 Rh2 112.2(4) . . ?
C50 C43 H43 114.5 . . ?
Rh2 C44 H44 113.5 . . ?
C43 C44 Rh2 71.4(4) . . ?
C43 C44 H44 113.5 . . ?
C43 C44 C45 126.1(6) . . ?
C45 C44 Rh2 111.0(5) . . ?
C45 C44 H44 113.5 . . ?
C44 C45 H45A 108.8 . . ?
C44 C45 H45B 108.8 . . ?
C44 C45 C46 113.9(6) . . ?
H45A C45 H45B 107.7 . . ?
C46 C45 H45A 108.8 . . ?
C46 C45 H45B 108.8 . . ?
C45 C46 H46A 108.9 . . ?
C45 C46 H46B 108.9 . . ?
H46A C46 H46B 107.7 . . ?
C47 C46 C45 113.5(6) . . ?
C47 C46 H46A 108.9 . . ?
C47 C46 H46B 108.9 . . ?
Rh2 C47 H47 114.1 . . ?
C46 C47 Rh2 109.8(5) . . ?
C46 C47 H47 114.1 . . ?
C48 C47 Rh2 71.3(3) . . ?
C48 C47 C46 125.2(7) . . ?
C48 C47 H47 114.1 . . ?
Rh2 C48 H48 114.1 . . ?
C47 C48 Rh2 74.9(4) . . ?
C47 C48 H48 114.1 . . ?
C47 C48 C49 126.7(7) . . ?
C49 C48 Rh2 104.4(4) . . ?
C49 C48 H48 114.1 . . ?
C48 C49 H49A 108.7 . . ?
C48 C49 H49B 108.7 . . ?
H49A C49 H49B 107.6 . . ?
C50 C49 C48 114.4(5) . . ?
C50 C49 H49A 108.7 . . ?
C50 C49 H49B 108.7 . . ?
C43 C50 H50A 108.8 . . ?
C43 C50 H50B 108.8 . . ?
C49 C50 C43 113.7(5) . . ?
C49 C50 H50A 108.8 . . ?
C49 C50 H50B 108.8 . . ?
H50A C50 H50B 107.7 . . ?
C12 O1 P1 116.9(19) . . ?
C37' O4 P2 120.7(12) . . ?
C37' C36' C36 126.4(9) . . ?
C37' C36' C41' 116.7(9) . . ?
C41' C36' C36 116.9(9) . . ?
O4 C37' C36' 119.0(10) . . ?
O4 C37' C38' 116.2(10) . . ?
C36' C37' C38' 124.5(10) . . ?
C37' C38' C42' 120.5(10) . . ?
C39' C38' C37' 114.7(10) . . ?
C39' C38' C42' 124.8(9) . . ?
C38' C39' H39' 118.3 . . ?
C40' C39' C38' 123.5(10) . . ?
C40' C39' H39' 118.3 . . ?
C39' C40' H40' 119.1 . . ?
C39' C40' C41' 121.7(11) . . ?
C41' C40' H40' 119.1 . . ?
C36' C41' H41' 120.6 . . ?
C40' C41' C36' 118.9(11) . . ?
C40' C41' H41' 120.6 . . ?
C38' C42' H42D 109.5 . . ?
C38' C42' H42E 109.5 . . ?
C38' C42' H42F 109.5 . . ?
H42D C42' H42E 109.5 . . ?
H42D C42' H42F 109.5 . . ?
H42E C42' H42F 109.5 . . ?
C12 C11 C11' 125.0(10) . . ?
C12 C11 C16 115.9(9) . . ?
C16 C11 C11' 119.0(9) . . ?
C11 C12 O1 112.3(18) . . ?
C11 C12 C13 126.1(12) . . ?
C13 C12 O1 117.3(19) . . ?
C12 C13 C17 123.3(11) . . ?
C14 C13 C12 115.2(9) . . ?
C14 C13 C17 120.8(9) . . ?
C13 C14 H14 119.4 . . ?
C13 C14 C15 121.1(9) . . ?
C15 C14 H14 119.4 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.1(9) . . ?
C16 C15 H15 119.9 . . ?
C11 C16 H16 119.7 . . ?
C15 C16 C11 120.5(10) . . ?
C15 C16 H16 119.7 . . ?
C13 C17 H17D 109.5 . . ?
C13 C17 H17E 109.5 . . ?
C13 C17 H17F 109.5 . . ?
H17D C17 H17E 109.5 . . ?
H17D C17 H17F 109.5 . . ?
H17E C17 H17F 109.5 . . ?
C12" O1" P1 125(2) . . ?
C37" O4" P2 126.1(10) . . ?
C37" C36" C36 118.6(8) . . ?
C37" C36" C41" 118.8(9) . . ?
C41" C36" C36 122.6(9) . . ?
O4" C37" C38" 119.5(9) . . ?
C36" C37" O4" 118.0(9) . . ?
C36" C37" C38" 121.9(9) . . ?
C37" C38" C42" 121.2(9) . . ?
C39" C38" C37" 116.1(9) . . ?
C39" C38" C42" 122.7(9) . . ?
C38" C39" H39" 118.8 . . ?
C40" C39" C38" 122.3(9) . . ?
C40" C39" H39" 118.8 . . ?
C39" C40" H40" 119.1 . . ?
C39" C40" C41" 121.8(9) . . ?
C41" C40" H40" 119.1 . . ?
C36" C41" H41" 120.5 . . ?
C40" C41" C36" 119.1(9) . . ?
C40" C41" H41" 120.5 . . ?
C38" C42" H42G 109.5 . . ?
C38" C42" H42H 109.5 . . ?
C38" C42" H42I 109.5 . . ?
H42G C42" H42H 109.5 . . ?
H42G C42" H42I 109.5 . . ?
H42H C42" H42I 109.5 . . ?
C12" C11" C11' 116.1(9) . . ?
C16" C11" C11' 124.0(10) . . ?
C16" C11" C12" 119.4(10) . . ?
C11" C12" O1" 124.1(19) . . ?
C11" C12" C13" 118.8(11) . . ?
C13" C12" O1" 115.5(19) . . ?
C12" C13" C17" 121.8(10) . . ?
C14" C13" C12" 118.0(10) . . ?
C14" C13" C17" 118.9(10) . . ?
C13" C14" H14" 119.0 . . ?
C13" C14" C15" 122.1(10) . . ?
C15" C14" H14" 119.0 . . ?
C14" C15" H15" 121.1 . . ?
C16" C15" C14" 117.8(10) . . ?
C16" C15" H15" 121.1 . . ?
C11" C16" C15" 122.5(11) . . ?
C11" C16" H16" 118.7 . . ?
C15" C16" H16" 118.7 . . ?
C13" C17" H17G 109.5 . . ?
C13" C17" H17H 109.5 . . ?
C13" C17" H17I 109.5 . . ?
H17G C17" H17H 109.5 . . ?
H17G C17" H17I 109.5 . . ?
H17H C17" H17I 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 O2 C12' -69.6(3) . . . . ?
Rh1 P1 C2 C1 -130.3(5) . . . . ?
Rh1 P1 C2 C3 49.2(4) . . . . ?
Rh1 P1 O1 C12 172(2) . . . . ?
Rh1 P1 O1" C12" 154(3) . . . . ?
Rh1 C18 C19 C20 -105.8(6) . . . . ?
Rh1 C18 C25 C24 37.0(6) . . . . ?
Rh1 C19 C20 C21 10.1(6) . . . . ?
Rh1 C22 C23 C24 -100.7(5) . . . . ?
Rh1 C23 C24 C25 11.5(6) . . . . ?
Rh2 P2 O3 C37 65.5(3) . . . . ?
Rh2 P2 C27 C26 119.1(5) . . . . ?
Rh2 P2 C27 C28 -61.1(5) . . . . ?
Rh2 P2 O4 C37' -159.7(10) . . . . ?
Rh2 P2 O4" C37" -156.8(9) . . . . ?
Rh2 C43 C44 C45 -102.9(7) . . . . ?
Rh2 C43 C50 C49 -11.2(7) . . . . ?
Rh2 C44 C45 C46 -37.8(7) . . . . ?
Rh2 C47 C48 C49 -96.9(6) . . . . ?
Rh2 C48 C49 C50 -39.9(6) . . . . ?
P1 O2 C12' C11' -78.2(5) . . . . ?
P1 O2 C12' C13' 104.7(4) . . . . ?
P1 C2 C3 C4 176.5(5) . . . . ?
P1 O1 C12 C11 -87(3) . . . . ?
P1 O1 C12 C13 115(3) . . . . ?
P1 O1" C12" C11" -54(5) . . . . ?
P1 O1" C12" C13" 112(4) . . . . ?
P2 O3 C37 C36 77.7(5) . . . . ?
P2 O3 C37 C38 -105.2(4) . . . . ?
P2 C27 C28 C29 -174.4(6) . . . . ?
P2 O4 C37' C36' 66(2) . . . . ?
P2 O4 C37' C38' -119.8(17) . . . . ?
P2 O4" C37" C36" 71(2) . . . . ?
P2 O4" C37" C38" -117.4(15) . . . . ?
O2 P1 C2 C1 -1.9(5) . . . . ?
O2 P1 C2 C3 177.6(4) . . . . ?
O2 P1 O1 C12 49(3) . . . . ?
O2 P1 O1" C12" 27(4) . . . . ?
O2 C12' C13' C14' 179.6(4) . . . . ?
O2 C12' C13' C17' 1.8(6) . . . . ?
O3 P2 C27 C26 -9.7(6) . . . . ?
O3 P2 C27 C28 170.1(4) . . . . ?
O3 P2 O4 C37' -32.7(11) . . . . ?
O3 P2 O4" C37" -32.5(10) . . . . ?
O3 C37 C38 C39 179.3(4) . . . . ?
O3 C37 C38 C42 -1.1(7) . . . . ?
C1 C1' C2' C3' -175.4(4) . . . . ?
C1 C1' C9' C8' -6.3(6) . . . . ?
C1 C1' C9' C10' 172.6(4) . . . . ?
C1 C2 C3 C4 -4.0(8) . . . . ?
C1 C9 C10 C4 -5.9(8) . . . . ?
C1 C9 C10 C5 174.3(5) . . . . ?
C1' C1 C2 P1 -9.1(8) . . . . ?
C1' C1 C2 C3 171.5(5) . . . . ?
C1' C1 C9 C8 12.2(7) . . . . ?
C1' C1 C9 C10 -167.0(4) . . . . ?
C1' C2' C3' C4' 1.3(7) . . . . ?
C1' C9' C10' C4' 3.9(6) . . . . ?
C1' C9' C10' C5' -177.3(4) . . . . ?
C2 P1 O2 C12' 160.9(3) . . . . ?
C2 P1 O1 C12 -58(3) . . . . ?
C2 P1 O1" C12" -78(3) . . . . ?
C2 C1 C1' C2' -89.0(6) . . . . ?
C2 C1 C1' C9' 95.1(6) . . . . ?
C2 C1 C9 C8 -171.8(5) . . . . ?
C2 C1 C9 C10 9.0(7) . . . . ?
C2 C3 C4 C10 7.2(9) . . . . ?
C2' C1' C9' C8' 177.8(4) . . . . ?
C2' C1' C9' C10' -3.3(6) . . . . ?
C2' C3' C4' C10' -0.5(7) . . . . ?
C3 C4 C10 C5 177.6(6) . . . . ?
C3 C4 C10 C9 -2.2(9) . . . . ?
C3' C4' C10' C5' 179.2(4) . . . . ?
C3' C4' C10' C9' -2.1(6) . . . . ?
C5 C6 C7 C8 -5.1(8) . . . . ?
C5' C6' C7' C8' 1.8(7) . . . . ?
C6 C5 C10 C4 -176.0(6) . . . . ?
C6 C5 C10 C9 3.9(9) . . . . ?
C6 C7 C8 C9 3.9(8) . . . . ?
C6' C5' C10' C4' 178.2(4) . . . . ?
C6' C5' C10' C9' -0.5(7) . . . . ?
C6' C7' C8' C9' -0.6(7) . . . . ?
C7 C8 C9 C1 -178.0(5) . . . . ?
C7 C8 C9 C10 1.2(7) . . . . ?
C7' C8' C9' C1' 177.8(4) . . . . ?
C7' C8' C9' C10' -1.1(7) . . . . ?
C8 C9 C10 C4 174.9(5) . . . . ?
C8 C9 C10 C5 -4.9(8) . . . . ?
C8' C9' C10' C4' -177.1(4) . . . . ?
C8' C9' C10' C5' 1.7(6) . . . . ?
C9 C1 C1' C2' 86.7(5) . . . . ?
C9 C1 C1' C9' -89.2(5) . . . . ?
C9 C1 C2 P1 175.3(4) . . . . ?
C9 C1 C2 C3 -4.1(8) . . . . ?
C9' C1' C2' C3' 0.6(7) . . . . ?
C10 C5 C6 C7 1.1(9) . . . . ?
C10' C5' C6' C7' -1.3(7) . . . . ?
C11' C12' C13' C14' 2.6(7) . . . . ?
C11' C12' C13' C17' -175.2(4) . . . . ?
C11' C11 C12 O1 18(4) . . . . ?
C11' C11 C12 C13 173(2) . . . . ?
C11' C11 C16 C15 -179.7(14) . . . . ?
C11' C11" C12" O1" -12(4) . . . . ?
C11' C11" C12" C13" -177(2) . . . . ?
C11' C11" C16" C15" -176.4(16) . . . . ?
C12' C11' C16' C15' 0.8(7) . . . . ?
C12' C11' C11 C12 35(2) . . . . ?
C12' C11' C11 C16 -140.6(13) . . . . ?
C12' C11' C11" C12" 57(2) . . . . ?
C12' C11' C11" C16" -130.9(16) . . . . ?
C12' C13' C14' C15' -1.2(7) . . . . ?
C13' C14' C15' C16' -0.3(7) . . . . ?
C14' C15' C16' C11' 0.6(8) . . . . ?
C16' C11' C12' O2 -179.3(4) . . . . ?
C16' C11' C12' C13' -2.5(7) . . . . ?
C16' C11' C11 C12 -138(2) . . . . ?
C16' C11' C11 C16 46.5(16) . . . . ?
C16' C11' C11" C12" -128(2) . . . . ?
C16' C11' C11" C16" 43(2) . . . . ?
C17' C13' C14' C15' 176.7(4) . . . . ?
C18 C19 C20 C21 91.5(7) . . . . ?
C19 C18 C25 C24 -44.7(9) . . . . ?
C19 C20 C21 C22 -33.1(6) . . . . ?
C20 C21 C22 Rh1 37.8(5) . . . . ?
C20 C21 C22 C23 -44.8(7) . . . . ?
C21 C22 C23 Rh1 99.4(5) . . . . ?
C21 C22 C23 C24 -1.3(9) . . . . ?
C22 C23 C24 C25 91.0(7) . . . . ?
C23 C24 C25 C18 -31.9(8) . . . . ?
C25 C18 C19 Rh1 103.6(6) . . . . ?
C25 C18 C19 C20 -2.2(10) . . . . ?
C26 C26' C27' C28' -177.0(5) . . . . ?
C26 C26' C34' C33' -2.7(6) . . . . ?
C26 C26' C34' C35' 177.1(4) . . . . ?
C26 C27 C28 C29 5.4(10) . . . . ?
C26 C34 C35 C29 6.5(8) . . . . ?
C26 C34 C35 C30 -176.0(5) . . . . ?
C26' C26 C27 P2 -1.2(8) . . . . ?
C26' C26 C27 C28 179.0(5) . . . . ?
C26' C26 C34 C33 -2.9(7) . . . . ?
C26' C26 C34 C35 175.2(5) . . . . ?
C26' C27' C28' C29' -0.7(8) . . . . ?
C26' C34' C35' C29' 0.8(6) . . . . ?
C26' C34' C35' C30' 179.5(4) . . . . ?
C27 P2 O3 C37 -164.6(3) . . . . ?
C27 P2 O4 C37' 74.5(11) . . . . ?
C27 P2 O4" C37" 72.4(10) . . . . ?
C27 C26 C26' C27' -87.0(7) . . . . ?
C27 C26 C26' C34' 94.0(6) . . . . ?
C27 C26 C34 C33 178.2(5) . . . . ?
C27 C26 C34 C35 -3.7(8) . . . . ?
C27 C28 C29 C35 -2.6(11) . . . . ?
C27' C26' C34' C33' 178.3(5) . . . . ?
C27' C26' C34' C35' -1.8(6) . . . . ?
C27' C28' C29' C35' -0.3(8) . . . . ?
C28 C29 C35 C30 179.2(6) . . . . ?
C28 C29 C35 C34 -3.4(10) . . . . ?
C28' C29' C35' C30' -178.4(5) . . . . ?
C28' C29' C35' C34' 0.3(8) . . . . ?
C30 C31 C32 C33 0.5(9) . . . . ?
C30' C31' C32' C33' 0.1(8) . . . . ?
C31 C30 C35 C29 175.5(6) . . . . ?
C31 C30 C35 C34 -1.9(9) . . . . ?
C31 C32 C33 C34 -0.2(8) . . . . ?
C31' C30' C35' C29' 178.6(5) . . . . ?
C31' C30' C35' C34' -0.1(7) . . . . ?
C31' C32' C33' C34' -0.9(7) . . . . ?
C32 C33 C34 C26 177.0(5) . . . . ?
C32 C33 C34 C35 -1.2(8) . . . . ?
C32' C33' C34' C26' -179.0(4) . . . . ?
C32' C33' C34' C35' 1.2(7) . . . . ?
C33 C34 C35 C29 -175.4(5) . . . . ?
C33 C34 C35 C30 2.2(8) . . . . ?
C33' C34' C35' C29' -179.4(5) . . . . ?
C33' C34' C35' C30' -0.6(6) . . . . ?
C34 C26 C26' C27' 94.2(6) . . . . ?
C34 C26 C26' C34' -84.7(5) . . . . ?
C34 C26 C27 P2 177.6(4) . . . . ?
C34 C26 C27 C28 -2.2(8) . . . . ?
C34' C26' C27' C28' 1.8(7) . . . . ?
C35 C30 C31 C32 0.5(9) . . . . ?
C35' C30' C31' C32' 0.4(8) . . . . ?
C36 C37 C38 C39 -3.7(7) . . . . ?
C36 C37 C38 C42 175.8(5) . . . . ?
C36 C36' C37' O4 -4(4) . . . . ?
C36 C36' C37' C38' -177(2) . . . . ?
C36 C36' C41' C40' 179(2) . . . . ?
C36 C36" C37" O4" -7(3) . . . . ?
C36 C36" C37" C38" -177.5(19) . . . . ?
C36 C36" C41" C40" 178(2) . . . . ?
C37 C36 C41 C40 1.9(8) . . . . ?
C37 C36 C36' C37' -43(3) . . . . ?
C37 C36 C36' C41' 139.2(18) . . . . ?
C37 C36 C36" C37" -48(2) . . . . ?
C37 C36 C36" C41" 131.7(18) . . . . ?
C37 C38 C39 C40 3.3(8) . . . . ?
C38 C39 C40 C41 -0.4(8) . . . . ?
C39 C40 C41 C36 -2.3(8) . . . . ?
C41 C36 C37 O3 178.2(4) . . . . ?
C41 C36 C37 C38 1.2(7) . . . . ?
C41 C36 C36' C37' 133(2) . . . . ?
C41 C36 C36' C41' -45(3) . . . . ?
C41 C36 C36" C37" 138.9(16) . . . . ?
C41 C36 C36" C41" -41(3) . . . . ?
C42 C38 C39 C40 -176.2(5) . . . . ?
C43 C44 C45 C46 44.1(10) . . . . ?
C44 C43 C50 C49 -91.1(8) . . . . ?
C44 C45 C46 C47 33.1(9) . . . . ?
C45 C46 C47 Rh2 -12.4(7) . . . . ?
C45 C46 C47 C48 -93.0(9) . . . . ?
C46 C47 C48 Rh2 101.5(7) . . . . ?
C46 C47 C48 C49 4.6(11) . . . . ?
C47 C48 C49 C50 41.9(9) . . . . ?
C48 C49 C50 C43 35.8(8) . . . . ?
C50 C43 C44 Rh2 104.0(6) . . . . ?
C50 C43 C44 C45 1.1(11) . . . . ?
O1 P1 O2 C12' 49.4(12) . . . . ?
O1 P1 C2 C1 104.1(9) . . . . ?
O1 P1 C2 C3 -76.4(9) . . . . ?
O1 C12 C13 C14 167(2) . . . . ?
O1 C12 C13 C17 -23(4) . . . . ?
O4 P2 O3 C37 -57.5(5) . . . . ?
O4 P2 C27 C26 -120.9(6) . . . . ?
O4 P2 C27 C28 58.9(5) . . . . ?
O4 C37' C38' C39' -173.5(16) . . . . ?
O4 C37' C38' C42' 8(3) . . . . ?
C36' C36 C37 O3 -5.3(12) . . . . ?
C36' C36 C37 C38 177.8(11) . . . . ?
C36' C36 C41 C40 -174.3(11) . . . . ?
C36' C37' C38' C39' 0(3) . . . . ?
C36' C37' C38' C42' -179(2) . . . . ?
C37' C36' C41' C40' 1(3) . . . . ?
C37' C38' C39' C40' -1(2) . . . . ?
C38' C39' C40' C41' 3(3) . . . . ?
C39' C40' C41' C36' -3(3) . . . . ?
C41' C36' C37' O4 173(2) . . . . ?
C41' C36' C37' C38' 0(4) . . . . ?
C42' C38' C39' C40' 177.2(15) . . . . ?
C11 C11' C12' O2 7.5(8) . . . . ?
C11 C11' C12' C13' -175.6(6) . . . . ?
C11 C11' C16' C15' 173.8(6) . . . . ?
C11 C12 C13 C14 12(4) . . . . ?
C11 C12 C13 C17 -177(2) . . . . ?
C12 C11 C16 C15 4(3) . . . . ?
C12 C13 C14 C15 -7(3) . . . . ?
C13 C14 C15 C16 2(2) . . . . ?
C14 C15 C16 C11 0(2) . . . . ?
C16 C11 C12 O1 -167(2) . . . . ?
C16 C11 C12 C13 -11(4) . . . . ?
C17 C13 C14 C15 -177.7(14) . . . . ?
O1" P1 O2 C12' 57.0(14) . . . . ?
O1" P1 C2 C1 103.5(10) . . . . ?
O1" P1 C2 C3 -77.0(9) . . . . ?
O1" C12" C13" C14" 180(2) . . . . ?
O1" C12" C13" C17" 13(4) . . . . ?
O4" P2 O3 C37 -58.3(5) . . . . ?
O4" P2 C27 C26 -111.5(6) . . . . ?
O4" P2 C27 C28 68.3(5) . . . . ?
O4" C37" C38" C39" -173.2(14) . . . . ?
O4" C37" C38" C42" 7(3) . . . . ?
C36" C36 C37 O3 5.0(12) . . . . ?
C36" C36 C37 C38 -172.0(10) . . . . ?
C36" C36 C41 C40 175.6(11) . . . . ?
C36" C37" C38" C39" -2(3) . . . . ?
C36" C37" C38" C42" 177.3(17) . . . . ?
C37" C36" C41" C40" -2(3) . . . . ?
C37" C38" C39" C40" 2(2) . . . . ?
C38" C39" C40" C41" -1(2) . . . . ?
C39" C40" C41" C36" 2(3) . . . . ?
C41" C36" C37" O4" 174(2) . . . . ?
C41" C36" C37" C38" 3(3) . . . . ?
C42" C38" C39" C40" -178.1(13) . . . . ?
C11" C11' C12' O2 -4.8(8) . . . . ?
C11" C11' C12' C13' 172.0(7) . . . . ?
C11" C11' C16' C15' -173.9(7) . . . . ?
C11" C12" C13" C14" -14(4) . . . . ?
C11" C12" C13" C17" 179(2) . . . . ?
C12" C11" C16" C15" -5(4) . . . . ?
C12" C13" C14" C15" 11(3) . . . . ?
C13" C14" C15" C16" -4(2) . . . . ?
C14" C15" C16" C11" 1(3) . . . . ?
C16" C11" C12" O1" 176(3) . . . . ?
C16" C11" C12" C13" 11(5) . . . . ?
C17" C13" C14" C15" 178.2(16) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.231 -0.003 -0.207 217.0 34.9 ?
2 0.231 0.497 0.207 217.0 34.8 ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 0 1 0.0762 0.0000 0.0000 1.0000 -0.0274 0.0155 -0.0218
0 0 -1 0.0792 -0.0000 -0.0000 -1.0000 0.0274 -0.0155 0.0218
-2 0 1 0.1130 -2.0000 0.0000 1.0000 -0.1183 -0.0515 0.0535
2 0 -1 0.0800 2.0000 -0.0000 -1.0000 0.1183 0.0515 -0.0535
0 -2 1 0.0447 0.0000 -2.0000 1.0000 -0.0318 0.0748 0.0256
0 2 -1 0.0887 -0.0000 2.0000 -1.0000 0.0318 -0.0748 -0.0256
-1 1 -2 0.0742 -1.0000 1.0000 -2.0000 0.0116 -0.0941 0.0576
0 1 0 0.0708 -0.0000 1.0000 0.0000 0.0022 -0.0297 -0.0237
0 -1 -1 0.0849 -0.0000 -1.0000 -1.0000 0.0252 0.0142 0.0456
-1 -2 -2 0.0970 -1.0000 -2.0000 -2.0000 0.0050 -0.0050 0.1288

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ljh150002_fa
_database_code_depnum_ccdc_archive 'CCDC 1483134'
_audit_update_record             
;
2016-06-02 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2015-01-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.19 svn.r3143 for OlexSys, GUI svn.r4992)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C43 H39 Cl O3 P Rh'
_chemical_formula_sum            'C43 H39 Cl O3 P Rh'
_chemical_formula_weight         773.07
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C43 H39 O3 P1 Cl1 Rh'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.69170(6)
_cell_length_b                   17.44304(12)
_cell_length_c                   20.04701(13)
_cell_angle_alpha                90
_cell_angle_beta                 90.6504(6)
_cell_angle_gamma                90
_cell_volume                     3388.78(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    47156
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      27.9280
_cell_measurement_theta_min      3.6360
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            107785
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.877
_diffrn_reflns_theta_min         3.295
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1500
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -92.00   13.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -77.0000  150.0000 105

#__ type_ start__ end____ width___ exp.time_
  2 omega  -53.00   44.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   77.0000  150.0000 97

#__ type_ start__ end____ width___ exp.time_
  3 omega  -89.00  -21.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000 -120.0000 68

#__ type_ start__ end____ width___ exp.time_
  4 omega  -44.00   52.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   57.0000  -90.0000 96

#__ type_ start__ end____ width___ exp.time_
  5 omega  -53.00   55.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   77.0000    0.0000 108

#__ type_ start__ end____ width___ exp.time_
  6 omega  -82.00    7.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000    0.0000 89

#__ type_ start__ end____ width___ exp.time_
  7 omega  -87.00    4.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000  -90.0000 91

#__ type_ start__ end____ width___ exp.time_
  8 omega -102.00  -32.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  178.0000    0.0000 70

#__ type_ start__ end____ width___ exp.time_
  9 omega  -29.00   -4.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826  104.0000  154.0000 25

#__ type_ start__ end____ width___ exp.time_
 10 omega  -92.00   16.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -77.0000  -30.0000 108

#__ type_ start__ end____ width___ exp.time_
 11 omega -102.00  -32.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  178.0000  -90.0000 70

#__ type_ start__ end____ width___ exp.time_
 12 omega  -50.00   56.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   38.0000  -90.0000 106

#__ type_ start__ end____ width___ exp.time_
 13 omega  -89.00    7.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889  -57.0000 -180.0000 96

#__ type_ start__ end____ width___ exp.time_
 14 omega  -44.00   52.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889   57.0000   90.0000 96

#__ type_ start__ end____ width___ exp.time_
 15 omega   -4.00   66.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826  -99.0000  -60.0000 70

#__ type_ start__ end____ width___ exp.time_
 16 omega   -6.00   90.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826   57.0000  120.0000 96

#__ type_ start__ end____ width___ exp.time_
 17 omega -100.00  -35.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889 -178.0000 -180.0000 65

#__ type_ start__ end____ width___ exp.time_
 18 omega -100.00  -35.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5889 -178.0000 -120.0000 65

#__ type_ start__ end____ width___ exp.time_
 19 omega   -4.00   66.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826  -99.0000   30.0000 70

#__ type_ start__ end____ width___ exp.time_
 20 omega  -15.00   93.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826   77.0000  -60.0000 108

#__ type_ start__ end____ width___ exp.time_
 21 omega   53.00  103.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826 -178.0000 -120.0000 50

#__ type_ start__ end____ width___ exp.time_
 22 omega  -14.00   94.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6826   38.0000   30.0000 108
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0609609000
_diffrn_orient_matrix_UB_12      -0.0208219000
_diffrn_orient_matrix_UB_13      -0.0077809000
_diffrn_orient_matrix_UB_21      -0.0231239000
_diffrn_orient_matrix_UB_22      0.0051914000
_diffrn_orient_matrix_UB_23      0.0331403000
_diffrn_orient_matrix_UB_31      -0.0332599000
_diffrn_orient_matrix_UB_32      0.0345346000
_diffrn_orient_matrix_UB_33      -0.0096679000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.881
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.913
_reflns_number_gt                14049
_reflns_number_total             15240
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.617
_refine_diff_density_min         -1.144
_refine_diff_density_rms         0.082
_refine_ls_abs_structure_details 
;
 Flack x determined using 6197 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.028(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     889
_refine_ls_number_reflns         15240
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0344
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0429P)²+3.4456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0845
_refine_ls_wR_factor_ref         0.0877
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C19(H19), C20(H20), C23(H23), C24(H24), C45(H45), C46(H46), C49(H49), C50(H50)
2.b Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C22(H22A,H22B), C25(H25A,H25B), C26(H26A,H26B), C47(H47A,
 H47B), C48(H48A,H48B), C51(H51A,H51B), C52(H52A,H52B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C3'(H3'), C4(H4), C4'(H4'), C5(H5), C5'(H5'), C6(H6), C6'(H6'),
 C7(H7), C7'(H7'), C8(H8), C8'(H8'), C14(H14), C14'(H14'), C15(H15), C15'(H15'),
  C16(H16), C16'(H16'), C29(H29), C29'(H29'), C30(H30), C30'(H30'), C31(H31),
 C31'(H31'), C32(H32), C32'(H32'), C33(H33), C33'(H33'), C34(H34), C34'(H34'),
 C40(H40), C40'(H40'), C41(H41), C41'(H41'), C42(H42), C42'(H42')
2.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C17'(H17D,H17E,H17F), C18(H18A,H18B,H18C), C43(H43A,H43B,
 H43C), C43'(H43D,H43E,H43F), C44(H44A,H44B,H44C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.57107(3) 0.54207(2) 0.69377(2) 0.01419(8) Uani 1 1 d . . . . .
Rh2 Rh -0.07283(4) 0.54886(2) 0.19121(2) 0.02171(9) Uani 1 1 d . . . . .
Cl1 Cl 0.53863(12) 0.66858(6) 0.65600(6) 0.0222(2) Uani 1 1 d . . . . .
Cl2 Cl -0.03125(16) 0.67338(7) 0.15192(7) 0.0335(3) Uani 1 1 d . . . . .
P1 P 0.42246(11) 0.49771(6) 0.61683(6) 0.0131(2) Uani 1 1 d . . . . .
P2 P 0.07295(13) 0.50248(7) 0.11506(6) 0.0190(2) Uani 1 1 d . . . . .
O1 O 0.4517(3) 0.40838(18) 0.60031(16) 0.0159(6) Uani 1 1 d . . . . .
O2 O 0.2632(3) 0.49635(18) 0.63892(15) 0.0152(6) Uani 1 1 d . . . . .
O3 O 0.1207(4) 0.4741(2) 0.47909(18) 0.0255(8) Uani 1 1 d . . . . .
O4 O 0.2319(3) 0.50028(19) 0.13913(17) 0.0208(7) Uani 1 1 d . . . . .
O5 O 0.0416(3) 0.4134(2) 0.09896(17) 0.0219(7) Uani 1 1 d . . . . .
O6 O 0.3042(4) 0.7076(2) 0.0861(2) 0.0388(10) Uani 1 1 d . . . . .
C1 C 0.3041(5) 0.5888(3) 0.5102(2) 0.0151(9) Uani 1 1 d . . . . .
C1' C 0.1603(5) 0.5887(3) 0.5377(2) 0.0162(9) Uani 1 1 d . . . . .
C2 C 0.4121(4) 0.5463(3) 0.53708(19) 0.0151(8) Uani 1 1 d . . . . .
C2' C 0.0705(5) 0.5308(3) 0.5196(2) 0.0198(10) Uani 1 1 d . . . . .
C3 C 0.5431(4) 0.5468(3) 0.5061(2) 0.0180(8) Uani 1 1 d . . . . .
H3 H 0.6156 0.5165 0.5244 0.022 Uiso 1 1 calc R . . . .
C3' C -0.0673(5) 0.5306(3) 0.5431(2) 0.0237(11) Uani 1 1 d . . . . .
H3' H -0.1280 0.4901 0.5308 0.028 Uiso 1 1 calc R . . . .
C4 C 0.5672(5) 0.5897(3) 0.4508(2) 0.0199(10) Uani 1 1 d . . . . .
H4 H 0.6548 0.5876 0.4301 0.024 Uiso 1 1 calc R . . . .
C4' C -0.1122(5) 0.5876(3) 0.5825(3) 0.0235(10) Uani 1 1 d . . . . .
H4' H -0.2052 0.5872 0.5970 0.028 Uiso 1 1 calc R . . . .
C5 C 0.4890(5) 0.6878(3) 0.3703(2) 0.0228(10) Uani 1 1 d . . . . .
H5 H 0.5776 0.6881 0.3506 0.027 Uiso 1 1 calc R . . . .
C5' C -0.0693(5) 0.7080(3) 0.6444(2) 0.0238(11) Uani 1 1 d . . . . .
H5' H -0.1627 0.7091 0.6584 0.029 Uiso 1 1 calc R . . . .
C6 C 0.3881(6) 0.7364(3) 0.3465(3) 0.0278(11) Uani 1 1 d . . . . .
H6 H 0.4072 0.7708 0.3110 0.033 Uiso 1 1 calc R . . . .
C6' C 0.0174(6) 0.7641(3) 0.6649(3) 0.0282(12) Uani 1 1 d . . . . .
H6' H -0.0144 0.8035 0.6935 0.034 Uiso 1 1 calc R . . . .
C7 C 0.2576(6) 0.7348(3) 0.3749(3) 0.0260(11) Uani 1 1 d . . . . .
H7 H 0.1881 0.7684 0.3584 0.031 Uiso 1 1 calc R . . . .
C7' C 0.1567(6) 0.7638(3) 0.6433(3) 0.0319(13) Uani 1 1 d . . . . .
H7' H 0.2182 0.8027 0.6584 0.038 Uiso 1 1 calc R . . . .
C8 C 0.2274(5) 0.6860(3) 0.4257(2) 0.0211(10) Uani 1 1 d . . . . .
H8 H 0.1366 0.6850 0.4430 0.025 Uiso 1 1 calc R . . . .
C8' C 0.2024(5) 0.7088(3) 0.6019(3) 0.0235(10) Uani 1 1 d . . . . .
H8' H 0.2952 0.7104 0.5872 0.028 Uiso 1 1 calc R . . . .
C9 C 0.3303(5) 0.6364(3) 0.4533(2) 0.0173(9) Uani 1 1 d . . . . .
C9' C 0.1145(5) 0.6484(3) 0.5795(2) 0.0181(9) Uani 1 1 d . . . . .
C10 C 0.4625(5) 0.6376(3) 0.4238(2) 0.0185(9) Uani 1 1 d . . . . .
C10' C -0.0244(5) 0.6479(3) 0.6029(2) 0.0199(10) Uani 1 1 d . . . . .
C11 C 0.2453(5) 0.3350(3) 0.6221(2) 0.0192(9) Uani 1 1 d . . . . .
C11' C 0.2233(5) 0.3726(3) 0.6880(2) 0.0186(9) Uani 1 1 d . . . . .
C12 C 0.3522(5) 0.3541(3) 0.5797(2) 0.0180(9) Uani 1 1 d . . . . .
C12' C 0.2329(4) 0.4518(3) 0.6954(2) 0.0153(9) Uani 1 1 d . . . . .
C13 C 0.3779(5) 0.3162(3) 0.5198(2) 0.0219(10) Uani 1 1 d . . . . .
C13' C 0.2096(5) 0.4901(3) 0.7547(2) 0.0186(10) Uani 1 1 d . . . . .
C14 C 0.2895(6) 0.2563(3) 0.5024(3) 0.0277(11) Uani 1 1 d . . . . .
H14 H 0.3036 0.2292 0.4619 0.033 Uiso 1 1 calc R . . . .
C14' C 0.1767(5) 0.4446(3) 0.8099(2) 0.0234(10) Uani 1 1 d . . . . .
H14' H 0.1599 0.4682 0.8517 0.028 Uiso 1 1 calc R . . . .
C15 C 0.1811(6) 0.2359(3) 0.5433(3) 0.0297(12) Uani 1 1 d . . . . .
H15 H 0.1215 0.1950 0.5306 0.036 Uiso 1 1 calc R . . . .
C15' C 0.1682(6) 0.3652(3) 0.8044(3) 0.0273(11) Uani 1 1 d . . . . .
H15' H 0.1473 0.3352 0.8425 0.033 Uiso 1 1 calc R . . . .
C16 C 0.1594(5) 0.2740(3) 0.6018(3) 0.0249(11) Uani 1 1 d . . . . .
H16 H 0.0850 0.2591 0.6294 0.030 Uiso 1 1 calc R . . . .
C16' C 0.1899(5) 0.3301(3) 0.7440(3) 0.0241(11) Uani 1 1 d . . . . .
H16' H 0.1819 0.2759 0.7407 0.029 Uiso 1 1 calc R . . . .
C17 C 0.5009(5) 0.3368(3) 0.4784(3) 0.0276(12) Uani 1 1 d . . . . .
H17A H 0.4903 0.3892 0.4615 0.041 Uiso 1 1 calc GR . . . .
H17B H 0.5077 0.3011 0.4409 0.041 Uiso 1 1 calc GR . . . .
H17C H 0.5848 0.3335 0.5060 0.041 Uiso 1 1 calc GR . . . .
C17' C 0.2185(6) 0.5755(3) 0.7586(3) 0.0229(11) Uani 1 1 d . . . . .
H17D H 0.3103 0.5922 0.7447 0.034 Uiso 1 1 calc GR . . . .
H17E H 0.2026 0.5921 0.8046 0.034 Uiso 1 1 calc GR . . . .
H17F H 0.1484 0.5983 0.7291 0.034 Uiso 1 1 calc GR . . . .
C18 C 0.0464(6) 0.4044(3) 0.4761(3) 0.0362(13) Uani 1 1 d . . . . .
H18A H 0.0978 0.3670 0.4496 0.054 Uiso 1 1 calc GR . . . .
H18B H -0.0441 0.4134 0.4551 0.054 Uiso 1 1 calc GR . . . .
H18C H 0.0339 0.3845 0.5213 0.054 Uiso 1 1 calc GR . . . .
C19 C 0.6847(5) 0.4386(3) 0.7041(2) 0.0203(10) Uani 1 1 d . . . . .
H19 H 0.6771 0.4037 0.6646 0.024 Uiso 1 1 calc R . . . .
C20 C 0.5697(5) 0.4357(3) 0.7468(3) 0.0203(10) Uani 1 1 d . . . . .
H20 H 0.4958 0.3995 0.7316 0.024 Uiso 1 1 calc R . . . .
C21 C 0.5767(6) 0.4467(3) 0.8224(3) 0.0260(11) Uani 1 1 d . . . . .
H21A H 0.5049 0.4144 0.8432 0.031 Uiso 1 1 calc R . . . .
H21B H 0.6675 0.4284 0.8390 0.031 Uiso 1 1 calc R . . . .
C22 C 0.5567(5) 0.5290(3) 0.8448(2) 0.0263(12) Uani 1 1 d . . . . .
H22A H 0.4568 0.5388 0.8501 0.032 Uiso 1 1 calc R . . . .
H22B H 0.6016 0.5359 0.8890 0.032 Uiso 1 1 calc R . . . .
C23 C 0.6147(5) 0.5872(3) 0.7970(2) 0.0223(10) Uani 1 1 d . . . . .
H23 H 0.5819 0.6408 0.8046 0.027 Uiso 1 1 calc R . . . .
C24 C 0.7391(5) 0.5824(3) 0.7667(2) 0.0231(10) Uani 1 1 d . . . . .
H24 H 0.7801 0.6333 0.7551 0.028 Uiso 1 1 calc R . . . .
C25 C 0.8441(5) 0.5200(3) 0.7781(3) 0.0281(12) Uani 1 1 d . . . . .
H25A H 0.8319 0.4982 0.8232 0.034 Uiso 1 1 calc R . . . .
H25B H 0.9379 0.5423 0.7760 0.034 Uiso 1 1 calc R . . . .
C26 C 0.8306(5) 0.4551(3) 0.7256(3) 0.0258(11) Uani 1 1 d . . . . .
H26A H 0.8845 0.4695 0.6858 0.031 Uiso 1 1 calc R . . . .
H26B H 0.8716 0.4078 0.7444 0.031 Uiso 1 1 calc R . . . .
C27 C 0.1941(5) 0.5926(3) 0.0097(2) 0.0218(10) Uani 1 1 d . . . . .
C27' C 0.3379(5) 0.5873(3) 0.0383(2) 0.0225(10) Uani 1 1 d . . . . .
C28 C 0.0847(5) 0.5514(3) 0.0350(2) 0.0209(9) Uani 1 1 d . . . . .
C28' C 0.3885(5) 0.6459(3) 0.0768(3) 0.0282(11) Uani 1 1 d . . . . .
C29 C -0.0470(5) 0.5546(3) 0.0021(2) 0.0239(10) Uani 1 1 d . . . . .
H29 H -0.1217 0.5260 0.0198 0.029 Uiso 1 1 calc R . . . .
C29' C 0.5237(6) 0.6412(4) 0.1050(3) 0.0334(13) Uani 1 1 d . . . . .
H29' H 0.5586 0.6812 0.1325 0.040 Uiso 1 1 calc R . . . .
C30 C -0.0674(5) 0.5970(3) -0.0532(3) 0.0246(11) Uani 1 1 d . . . . .
H30 H -0.1546 0.5957 -0.0753 0.029 Uiso 1 1 calc R . . . .
C30' C 0.6036(6) 0.5771(4) 0.0916(3) 0.0342(13) Uani 1 1 d . . . . .
H30' H 0.6948 0.5746 0.1093 0.041 Uiso 1 1 calc R . . . .
C31 C 0.0169(6) 0.6938(3) -0.1329(3) 0.0269(11) Uani 1 1 d . . . . .
H31 H -0.0713 0.6956 -0.1540 0.032 Uiso 1 1 calc R . . . .
C31' C 0.6318(6) 0.4491(4) 0.0418(3) 0.0373(14) Uani 1 1 d . . . . .
H31' H 0.7205 0.4441 0.0620 0.045 Uiso 1 1 calc R . . . .
C32 C 0.1208(6) 0.7403(3) -0.1554(3) 0.0295(12) Uani 1 1 d . . . . .
H32 H 0.1036 0.7752 -0.1909 0.035 Uiso 1 1 calc R . . . .
C32' C 0.5834(6) 0.3912(4) 0.0029(3) 0.0353(13) Uani 1 1 d . . . . .
H32' H 0.6381 0.3468 -0.0042 0.042 Uiso 1 1 calc R . . . .
C33 C 0.2505(6) 0.7364(3) -0.1262(3) 0.0326(13) Uani 1 1 d . . . . .
H33 H 0.3219 0.7683 -0.1426 0.039 Uiso 1 1 calc R . . . .
C33' C 0.4531(6) 0.3972(3) -0.0265(3) 0.0316(12) Uani 1 1 d . . . . .
H33' H 0.4192 0.3568 -0.0539 0.038 Uiso 1 1 calc R . . . .
C34 C 0.2787(6) 0.6871(3) -0.0741(3) 0.0267(11) Uani 1 1 d . . . . .
H34 H 0.3693 0.6842 -0.0557 0.032 Uiso 1 1 calc R . . . .
C34' C 0.3732(5) 0.4610(3) -0.0163(3) 0.0269(11) Uani 1 1 d . . . . .
H34' H 0.2844 0.4637 -0.0367 0.032 Uiso 1 1 calc R . . . .
C35 C 0.1710(5) 0.6403(3) -0.0476(2) 0.0219(10) Uani 1 1 d . . . . .
C35' C 0.4195(5) 0.5227(3) 0.0238(2) 0.0256(12) Uani 1 1 d . . . . .
C36 C 0.0395(5) 0.6437(3) -0.0790(2) 0.0228(10) Uani 1 1 d . . . . .
C36' C 0.5547(5) 0.5165(3) 0.0532(3) 0.0293(12) Uani 1 1 d . . . . .
C37 C 0.2748(5) 0.3745(3) 0.1839(3) 0.0232(10) Uani 1 1 d . . . . .
C37' C 0.2487(5) 0.3389(3) 0.1184(3) 0.0233(10) Uani 1 1 d . . . . .
C38 C 0.2641(5) 0.4528(3) 0.1937(2) 0.0206(10) Uani 1 1 d . . . . .
C38' C 0.1379(5) 0.3592(3) 0.0763(3) 0.0226(10) Uani 1 1 d . . . . .
C39 C 0.2887(6) 0.4885(3) 0.2557(3) 0.0269(12) Uani 1 1 d . . . . .
C39' C 0.1073(5) 0.3214(3) 0.0171(3) 0.0253(11) Uani 1 1 d . . . . .
C40 C 0.3226(6) 0.4416(3) 0.3093(3) 0.0308(12) Uani 1 1 d . . . . .
H40 H 0.3379 0.4636 0.3520 0.037 Uiso 1 1 calc R . . . .
C40' C 0.1947(6) 0.2621(3) -0.0017(3) 0.0301(12) Uani 1 1 d . . . . .
H40' H 0.1768 0.2355 -0.0422 0.036 Uiso 1 1 calc R . . . .
C41 C 0.3342(6) 0.3634(3) 0.3013(3) 0.0322(13) Uani 1 1 d . . . . .
H41 H 0.3579 0.3323 0.3386 0.039 Uiso 1 1 calc R . . . .
C41' C 0.3066(6) 0.2412(3) 0.0372(3) 0.0300(12) Uani 1 1 d . . . . .
H41' H 0.3649 0.2006 0.0233 0.036 Uiso 1 1 calc R . . . .
C42 C 0.3113(6) 0.3292(3) 0.2387(3) 0.0288(12) Uani 1 1 d . . . . .
H42 H 0.3207 0.2753 0.2337 0.035 Uiso 1 1 calc R . . . .
C42' C 0.3343(6) 0.2791(3) 0.0963(3) 0.0289(11) Uani 1 1 d . . . . .
H42' H 0.4124 0.2646 0.1224 0.035 Uiso 1 1 calc R . . . .
C43 C 0.2789(6) 0.5736(3) 0.2614(3) 0.0307(13) Uani 1 1 d . . . . .
H43A H 0.3516 0.5975 0.2349 0.046 Uiso 1 1 calc GR . . . .
H43B H 0.2903 0.5887 0.3083 0.046 Uiso 1 1 calc GR . . . .
H43C H 0.1885 0.5907 0.2449 0.046 Uiso 1 1 calc GR . . . .
C43' C -0.0199(6) 0.3408(3) -0.0226(3) 0.0325(12) Uani 1 1 d . . . . .
H43D H -0.1000 0.3411 0.0068 0.049 Uiso 1 1 calc GR . . . .
H43E H -0.0338 0.3025 -0.0578 0.049 Uiso 1 1 calc GR . . . .
H43F H -0.0092 0.3916 -0.0428 0.049 Uiso 1 1 calc GR . . . .
C44 C 0.3235(8) 0.7542(4) 0.1427(4) 0.0489(17) Uani 1 1 d . . . . .
H44A H 0.4157 0.7773 0.1417 0.073 Uiso 1 1 calc GR . . . .
H44B H 0.3147 0.7230 0.1831 0.073 Uiso 1 1 calc GR . . . .
H44C H 0.2537 0.7948 0.1428 0.073 Uiso 1 1 calc GR . . . .
C45 C -0.0624(6) 0.4468(3) 0.2495(3) 0.0274(11) Uani 1 1 d . . . . .
H45 H 0.0132 0.4111 0.2361 0.033 Uiso 1 1 calc R . . . .
C46 C -0.1790(6) 0.4435(3) 0.2078(3) 0.0288(12) Uani 1 1 d . . . . .
H46 H -0.1710 0.4060 0.1704 0.035 Uiso 1 1 calc R . . . .
C47 C -0.3246(6) 0.4569(4) 0.2302(3) 0.0345(13) Uani 1 1 d . . . . .
H47A H -0.3574 0.4105 0.2536 0.041 Uiso 1 1 calc R . . . .
H47B H -0.3843 0.4644 0.1903 0.041 Uiso 1 1 calc R . . . .
C48 C -0.3407(6) 0.5261(4) 0.2764(3) 0.0377(14) Uani 1 1 d . . . . .
H48A H -0.4362 0.5458 0.2723 0.045 Uiso 1 1 calc R . . . .
H48B H -0.3260 0.5093 0.3231 0.045 Uiso 1 1 calc R . . . .
C49 C -0.2399(6) 0.5909(3) 0.2609(3) 0.0333(13) Uani 1 1 d . . . . .
H49 H -0.2850 0.6398 0.2466 0.040 Uiso 1 1 calc R . . . .
C50 C -0.1180(6) 0.5999(3) 0.2910(3) 0.0308(12) Uani 1 1 d . . . . .
H50 H -0.0888 0.6547 0.2954 0.037 Uiso 1 1 calc R . . . .
C51 C -0.0563(6) 0.5486(4) 0.3427(2) 0.0334(11) Uani 1 1 d . . . . .
H51A H -0.1041 0.5570 0.3855 0.040 Uiso 1 1 calc R . . . .
H51B H 0.0420 0.5624 0.3494 0.040 Uiso 1 1 calc R . . . .
C52 C -0.0661(7) 0.4631(3) 0.3243(3) 0.0336(13) Uani 1 1 d . . . . .
H52A H 0.0114 0.4355 0.3462 0.040 Uiso 1 1 calc R . . . .
H52B H -0.1529 0.4422 0.3423 0.040 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Cl1 2.3529(12) . ?
Rh1 P1 2.2365(11) . ?
Rh1 C19 2.124(5) . ?
Rh1 C20 2.139(5) . ?
Rh1 C23 2.249(5) . ?
Rh1 C24 2.287(5) . ?
Rh2 Cl2 2.3470(14) . ?
Rh2 P2 2.2428(13) . ?
Rh2 C45 2.131(5) . ?
Rh2 C46 2.134(5) . ?
Rh2 C49 2.272(6) . ?
Rh2 C50 2.237(5) . ?
P1 O1 1.619(3) . ?
P1 O2 1.611(3) . ?
P1 C2 1.812(4) . ?
P2 O4 1.609(3) . ?
P2 O5 1.615(4) . ?
P2 C28 1.823(5) . ?
O1 C12 1.410(6) . ?
O2 C12' 1.407(5) . ?
O3 C2' 1.373(6) . ?
O3 C18 1.413(7) . ?
O4 C38 1.404(6) . ?
O5 C38' 1.408(6) . ?
O6 C28' 1.366(7) . ?
O6 C44 1.407(8) . ?
C1 C1' 1.504(6) . ?
C1 C2 1.386(6) . ?
C1 C9 1.437(6) . ?
C1' C2' 1.380(7) . ?
C1' C9' 1.410(7) . ?
C2 C3 1.419(5) . ?
C2' C3' 1.421(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.360(7) . ?
C3' H3' 0.9500 . ?
C3' C4' 1.346(7) . ?
C4 H4 0.9500 . ?
C4 C10 1.416(7) . ?
C4' H4' 0.9500 . ?
C4' C10' 1.411(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.376(8) . ?
C5 C10 1.410(7) . ?
C5' H5' 0.9500 . ?
C5' C6' 1.350(8) . ?
C5' C10' 1.412(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.393(8) . ?
C6' H6' 0.9500 . ?
C6' C7' 1.422(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.361(7) . ?
C7' H7' 0.9500 . ?
C7' C8' 1.347(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.427(7) . ?
C8' H8' 0.9500 . ?
C8' C9' 1.424(7) . ?
C9 C10 1.417(6) . ?
C9' C10' 1.430(6) . ?
C11 C11' 1.492(7) . ?
C11 C12 1.388(7) . ?
C11 C16 1.407(7) . ?
C11' C12' 1.393(7) . ?
C11' C16' 1.388(7) . ?
C12 C13 1.394(7) . ?
C12' C13' 1.385(7) . ?
C13 C14 1.394(7) . ?
C13 C17 1.503(7) . ?
C13' C14' 1.401(7) . ?
C13' C17' 1.494(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.387(8) . ?
C14' H14' 0.9500 . ?
C14' C15' 1.390(8) . ?
C15 H15 0.9500 . ?
C15 C16 1.368(8) . ?
C15' H15' 0.9500 . ?
C15' C16' 1.374(8) . ?
C16 H16 0.9500 . ?
C16' H16' 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17' H17D 0.9800 . ?
C17' H17E 0.9800 . ?
C17' H17F 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19 1.0000 . ?
C19 C20 1.414(7) . ?
C19 C26 1.501(7) . ?
C20 H20 1.0000 . ?
C20 C21 1.529(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.517(8) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.510(7) . ?
C23 H23 1.0000 . ?
C23 C24 1.358(7) . ?
C24 H24 1.0000 . ?
C24 C25 1.506(7) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.550(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C27' 1.504(7) . ?
C27 C28 1.382(7) . ?
C27 C35 1.433(7) . ?
C27' C28' 1.369(8) . ?
C27' C35' 1.409(7) . ?
C28 C29 1.431(6) . ?
C28' C29' 1.423(8) . ?
C29 H29 0.9500 . ?
C29 C30 1.346(7) . ?
C29' H29' 0.9500 . ?
C29' C30' 1.388(9) . ?
C30 H30 0.9500 . ?
C30 C36 1.421(7) . ?
C30' H30' 0.9500 . ?
C30' C36' 1.387(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.373(8) . ?
C31 C36 1.405(7) . ?
C31' H31' 0.9500 . ?
C31' C32' 1.356(9) . ?
C31' C36' 1.414(9) . ?
C32 H32 0.9500 . ?
C32 C33 1.381(8) . ?
C32' H32' 0.9500 . ?
C32' C33' 1.391(8) . ?
C33 H33 0.9500 . ?
C33 C34 1.379(8) . ?
C33' H33' 0.9500 . ?
C33' C34' 1.372(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.432(7) . ?
C34' H34' 0.9500 . ?
C34' C35' 1.413(8) . ?
C35 C36 1.417(7) . ?
C35' C36' 1.435(7) . ?
C37 C37' 1.472(7) . ?
C37 C38 1.384(7) . ?
C37 C42 1.396(7) . ?
C37' C38' 1.403(7) . ?
C37' C42' 1.408(7) . ?
C38 C39 1.408(8) . ?
C38' C39' 1.387(7) . ?
C39 C40 1.387(8) . ?
C39 C43 1.492(8) . ?
C39' C40' 1.392(8) . ?
C39' C43' 1.499(8) . ?
C40 H40 0.9500 . ?
C40 C41 1.378(8) . ?
C40' H40' 0.9500 . ?
C40' C41' 1.377(8) . ?
C41 H41 0.9500 . ?
C41 C42 1.405(8) . ?
C41' H41' 0.9500 . ?
C41' C42' 1.379(8) . ?
C42 H42 0.9500 . ?
C42' H42' 0.9500 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C43' H43D 0.9800 . ?
C43' H43E 0.9800 . ?
C43' H43F 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45 1.0000 . ?
C45 C46 1.399(8) . ?
C45 C52 1.527(8) . ?
C46 H46 1.0000 . ?
C46 C47 1.504(8) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.530(8) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C49 1.528(8) . ?
C49 H49 1.0000 . ?
C49 C50 1.330(8) . ?
C50 H50 1.0000 . ?
C50 C51 1.490(8) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.539(9) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 Cl1 91.14(4) . . ?
P1 Rh1 C23 150.26(14) . . ?
P1 Rh1 C24 174.67(14) . . ?
C19 Rh1 Cl1 153.62(14) . . ?
C19 Rh1 P1 95.88(14) . . ?
C19 Rh1 C20 38.76(19) . . ?
C19 Rh1 C23 96.67(19) . . ?
C19 Rh1 C24 80.48(19) . . ?
C20 Rh1 Cl1 166.43(14) . . ?
C20 Rh1 P1 92.01(13) . . ?
C20 Rh1 C23 81.29(19) . . ?
C20 Rh1 C24 87.57(19) . . ?
C23 Rh1 Cl1 89.46(13) . . ?
C23 Rh1 C24 34.83(18) . . ?
C24 Rh1 Cl1 90.49(14) . . ?
P2 Rh2 Cl2 89.62(5) . . ?
P2 Rh2 C49 173.59(16) . . ?
C45 Rh2 Cl2 161.78(16) . . ?
C45 Rh2 P2 92.60(15) . . ?
C45 Rh2 C46 38.3(2) . . ?
C45 Rh2 C49 87.8(2) . . ?
C45 Rh2 C50 81.4(2) . . ?
C46 Rh2 Cl2 159.10(17) . . ?
C46 Rh2 P2 95.98(15) . . ?
C46 Rh2 C49 80.4(2) . . ?
C46 Rh2 C50 96.0(2) . . ?
C49 Rh2 Cl2 91.96(16) . . ?
C50 Rh2 Cl2 88.15(16) . . ?
C50 Rh2 P2 152.03(16) . . ?
C50 Rh2 C49 34.3(2) . . ?
O1 P1 Rh1 111.18(12) . . ?
O1 P1 C2 106.2(2) . . ?
O2 P1 Rh1 115.28(13) . . ?
O2 P1 O1 102.27(17) . . ?
O2 P1 C2 101.89(17) . . ?
C2 P1 Rh1 118.38(15) . . ?
O4 P2 Rh2 114.38(14) . . ?
O4 P2 O5 102.38(18) . . ?
O4 P2 C28 101.9(2) . . ?
O5 P2 Rh2 111.37(13) . . ?
O5 P2 C28 106.8(2) . . ?
C28 P2 Rh2 118.45(17) . . ?
C12 O1 P1 125.9(3) . . ?
C12' O2 P1 116.0(3) . . ?
C2' O3 C18 117.4(4) . . ?
C38 O4 P2 116.8(3) . . ?
C38' O5 P2 125.9(3) . . ?
C28' O6 C44 119.4(5) . . ?
C2 C1 C1' 123.8(4) . . ?
C2 C1 C9 118.5(4) . . ?
C9 C1 C1' 117.6(4) . . ?
C2' C1' C1 119.2(4) . . ?
C2' C1' C9' 119.7(4) . . ?
C9' C1' C1 121.0(4) . . ?
C1 C2 P1 128.8(3) . . ?
C1 C2 C3 120.2(4) . . ?
C3 C2 P1 110.4(3) . . ?
O3 C2' C1' 117.2(4) . . ?
O3 C2' C3' 122.4(4) . . ?
C1' C2' C3' 120.4(4) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.5(4) . . ?
C4 C3 H3 119.3 . . ?
C2' C3' H3' 119.8 . . ?
C4' C3' C2' 120.3(5) . . ?
C4' C3' H3' 119.8 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C10 120.5(4) . . ?
C10 C4 H4 119.8 . . ?
C3' C4' H4' 119.3 . . ?
C3' C4' C10' 121.5(4) . . ?
C10' C4' H4' 119.3 . . ?
C6 C5 H5 119.6 . . ?
C6 C5 C10 120.8(5) . . ?
C10 C5 H5 119.6 . . ?
C6' C5' H5' 119.3 . . ?
C6' C5' C10' 121.4(5) . . ?
C10' C5' H5' 119.3 . . ?
C5 C6 H6 120.3 . . ?
C5 C6 C7 119.3(5) . . ?
C7 C6 H6 120.3 . . ?
C5' C6' H6' 120.1 . . ?
C5' C6' C7' 119.7(5) . . ?
C7' C6' H6' 120.1 . . ?
C6 C7 H7 119.2 . . ?
C8 C7 C6 121.6(5) . . ?
C8 C7 H7 119.2 . . ?
C6' C7' H7' 119.7 . . ?
C8' C7' C6' 120.6(5) . . ?
C8' C7' H7' 119.7 . . ?
C7 C8 H8 119.6 . . ?
C7 C8 C9 120.9(5) . . ?
C9 C8 H8 119.6 . . ?
C7' C8' H8' 119.3 . . ?
C7' C8' C9' 121.5(5) . . ?
C9' C8' H8' 119.3 . . ?
C8 C9 C1 122.0(4) . . ?
C10 C9 C1 120.6(4) . . ?
C10 C9 C8 117.5(4) . . ?
C1' C9' C8' 122.8(4) . . ?
C1' C9' C10' 119.6(4) . . ?
C8' C9' C10' 117.5(4) . . ?
C4 C10 C9 118.7(4) . . ?
C5 C10 C4 121.4(4) . . ?
C5 C10 C9 119.9(4) . . ?
C4' C10' C5' 122.4(4) . . ?
C4' C10' C9' 118.5(4) . . ?
C5' C10' C9' 119.2(5) . . ?
C12 C11 C11' 123.5(4) . . ?
C12 C11 C16 116.6(5) . . ?
C16 C11 C11' 119.8(5) . . ?
C12' C11' C11 121.4(4) . . ?
C16' C11' C11 121.3(4) . . ?
C16' C11' C12' 117.3(4) . . ?
C11 C12 O1 119.6(4) . . ?
C11 C12 C13 123.8(5) . . ?
C13 C12 O1 116.2(4) . . ?
C11' C12' O2 118.4(4) . . ?
C13' C12' O2 117.6(4) . . ?
C13' C12' C11' 124.0(4) . . ?
C12 C13 C17 120.8(5) . . ?
C14 C13 C12 117.1(5) . . ?
C14 C13 C17 122.0(5) . . ?
C12' C13' C14' 116.4(5) . . ?
C12' C13' C17' 121.0(5) . . ?
C14' C13' C17' 122.6(5) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.8(5) . . ?
C15 C14 H14 119.6 . . ?
C13' C14' H14' 119.5 . . ?
C15' C14' C13' 121.0(5) . . ?
C15' C14' H14' 119.5 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.5(5) . . ?
C16 C15 H15 119.8 . . ?
C14' C15' H15' 119.9 . . ?
C16' C15' C14' 120.3(5) . . ?
C16' C15' H15' 119.9 . . ?
C11 C16 H16 119.4 . . ?
C15 C16 C11 121.3(5) . . ?
C15 C16 H16 119.4 . . ?
C11' C16' H16' 119.5 . . ?
C15' C16' C11' 120.9(5) . . ?
C15' C16' H16' 119.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13' C17' H17D 109.5 . . ?
C13' C17' H17E 109.5 . . ?
C13' C17' H17F 109.5 . . ?
H17D C17' H17E 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
O3 C18 H18A 109.5 . . ?
O3 C18 H18B 109.5 . . ?
O3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Rh1 C19 H19 113.9 . . ?
C20 C19 Rh1 71.2(3) . . ?
C20 C19 H19 113.9 . . ?
C20 C19 C26 125.4(4) . . ?
C26 C19 Rh1 110.5(3) . . ?
C26 C19 H19 113.9 . . ?
Rh1 C20 H20 113.9 . . ?
C19 C20 Rh1 70.1(3) . . ?
C19 C20 H20 113.9 . . ?
C19 C20 C21 124.7(4) . . ?
C21 C20 Rh1 112.6(3) . . ?
C21 C20 H20 113.9 . . ?
C20 C21 H21A 108.7 . . ?
C20 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 C20 114.0(4) . . ?
C22 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
C21 C22 H22A 108.9 . . ?
C21 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C23 C22 C21 113.5(4) . . ?
C23 C22 H22A 108.9 . . ?
C23 C22 H22B 108.9 . . ?
Rh1 C23 H23 114.3 . . ?
C22 C23 Rh1 106.3(3) . . ?
C22 C23 H23 114.3 . . ?
C24 C23 Rh1 74.1(3) . . ?
C24 C23 C22 125.5(5) . . ?
C24 C23 H23 114.3 . . ?
Rh1 C24 H24 114.0 . . ?
C23 C24 Rh1 71.1(3) . . ?
C23 C24 H24 114.0 . . ?
C23 C24 C25 125.4(5) . . ?
C25 C24 Rh1 110.4(3) . . ?
C25 C24 H24 114.0 . . ?
C24 C25 H25A 109.2 . . ?
C24 C25 H25B 109.2 . . ?
C24 C25 C26 111.9(4) . . ?
H25A C25 H25B 107.9 . . ?
C26 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
C19 C26 C25 114.0(4) . . ?
C19 C26 H26A 108.7 . . ?
C19 C26 H26B 108.7 . . ?
C25 C26 H26A 108.7 . . ?
C25 C26 H26B 108.7 . . ?
H26A C26 H26B 107.6 . . ?
C28 C27 C27' 122.6(4) . . ?
C28 C27 C35 118.8(4) . . ?
C35 C27 C27' 118.5(4) . . ?
C28' C27' C27 119.6(5) . . ?
C28' C27' C35' 121.0(5) . . ?
C35' C27' C27 119.4(4) . . ?
C27 C28 P2 128.5(4) . . ?
C27 C28 C29 119.7(4) . . ?
C29 C28 P2 111.0(3) . . ?
O6 C28' C27' 117.0(5) . . ?
O6 C28' C29' 122.8(5) . . ?
C27' C28' C29' 120.2(5) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 C28 121.5(5) . . ?
C30 C29 H29 119.3 . . ?
C28' C29' H29' 120.6 . . ?
C30' C29' C28' 118.9(5) . . ?
C30' C29' H29' 120.6 . . ?
C29 C30 H30 119.5 . . ?
C29 C30 C36 121.0(5) . . ?
C36 C30 H30 119.5 . . ?
C29' C30' H30' 118.9 . . ?
C36' C30' C29' 122.2(5) . . ?
C36' C30' H30' 118.9 . . ?
C32 C31 H31 119.6 . . ?
C32 C31 C36 120.7(5) . . ?
C36 C31 H31 119.6 . . ?
C32' C31' H31' 118.9 . . ?
C32' C31' C36' 122.2(5) . . ?
C36' C31' H31' 118.9 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0(5) . . ?
C33 C32 H32 120.0 . . ?
C31' C32' H32' 120.2 . . ?
C31' C32' C33' 119.5(6) . . ?
C33' C32' H32' 120.2 . . ?
C32 C33 H33 119.2 . . ?
C34 C33 C32 121.5(5) . . ?
C34 C33 H33 119.2 . . ?
C32' C33' H33' 119.7 . . ?
C34' C33' C32' 120.7(6) . . ?
C34' C33' H33' 119.7 . . ?
C33 C34 H34 120.1 . . ?
C33 C34 C35 119.9(5) . . ?
C35 C34 H34 120.1 . . ?
C33' C34' H34' 119.1 . . ?
C33' C34' C35' 121.7(5) . . ?
C35' C34' H34' 119.1 . . ?
C34 C35 C27 121.3(5) . . ?
C36 C35 C27 120.8(5) . . ?
C36 C35 C34 117.8(5) . . ?
C27' C35' C34' 123.4(5) . . ?
C27' C35' C36' 119.2(5) . . ?
C34' C35' C36' 117.3(5) . . ?
C31 C36 C30 121.9(5) . . ?
C31 C36 C35 120.0(5) . . ?
C35 C36 C30 118.0(5) . . ?
C30' C36' C31' 123.1(5) . . ?
C30' C36' C35' 118.4(5) . . ?
C31' C36' C35' 118.5(5) . . ?
C38 C37 C37' 122.1(5) . . ?
C38 C37 C42 117.8(5) . . ?
C42 C37 C37' 120.2(5) . . ?
C38' C37' C37 123.5(5) . . ?
C38' C37' C42' 116.5(5) . . ?
C42' C37' C37 119.9(5) . . ?
O4 C38 C39 117.4(4) . . ?
C37 C38 O4 119.2(4) . . ?
C37 C38 C39 123.3(5) . . ?
C37' C38' O5 118.8(4) . . ?
C39' C38' O5 117.3(5) . . ?
C39' C38' C37' 123.3(5) . . ?
C38 C39 C43 119.9(5) . . ?
C40 C39 C38 117.3(5) . . ?
C40 C39 C43 122.8(5) . . ?
C38' C39' C40' 117.4(5) . . ?
C38' C39' C43' 120.9(5) . . ?
C40' C39' C43' 121.6(5) . . ?
C39 C40 H40 119.5 . . ?
C41 C40 C39 120.9(5) . . ?
C41 C40 H40 119.5 . . ?
C39' C40' H40' 119.3 . . ?
C41' C40' C39' 121.4(5) . . ?
C41' C40' H40' 119.3 . . ?
C40 C41 H41 119.6 . . ?
C40 C41 C42 120.7(5) . . ?
C42 C41 H41 119.6 . . ?
C40' C41' H41' 119.9 . . ?
C40' C41' C42' 120.2(5) . . ?
C42' C41' H41' 119.9 . . ?
C37 C42 C41 119.9(5) . . ?
C37 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C37' C42' H42' 119.5 . . ?
C41' C42' C37' 121.1(5) . . ?
C41' C42' H42' 119.5 . . ?
C39 C43 H43A 109.5 . . ?
C39 C43 H43B 109.5 . . ?
C39 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39' C43' H43D 109.5 . . ?
C39' C43' H43E 109.5 . . ?
C39' C43' H43F 109.5 . . ?
H43D C43' H43E 109.5 . . ?
H43D C43' H43F 109.5 . . ?
H43E C43' H43F 109.5 . . ?
O6 C44 H44A 109.5 . . ?
O6 C44 H44B 109.5 . . ?
O6 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Rh2 C45 H45 113.8 . . ?
C46 C45 Rh2 70.9(3) . . ?
C46 C45 H45 113.8 . . ?
C46 C45 C52 124.5(5) . . ?
C52 C45 Rh2 112.4(4) . . ?
C52 C45 H45 113.8 . . ?
Rh2 C46 H46 114.0 . . ?
C45 C46 Rh2 70.8(3) . . ?
C45 C46 H46 114.0 . . ?
C45 C46 C47 124.8(5) . . ?
C47 C46 Rh2 111.6(4) . . ?
C47 C46 H46 114.0 . . ?
C46 C47 H47A 108.8 . . ?
C46 C47 H47B 108.8 . . ?
C46 C47 C48 113.9(5) . . ?
H47A C47 H47B 107.7 . . ?
C48 C47 H47A 108.8 . . ?
C48 C47 H47B 108.8 . . ?
C47 C48 H48A 109.0 . . ?
C47 C48 H48B 109.0 . . ?
H48A C48 H48B 107.8 . . ?
C49 C48 C47 113.0(5) . . ?
C49 C48 H48A 109.0 . . ?
C49 C48 H48B 109.0 . . ?
Rh2 C49 H49 114.3 . . ?
C48 C49 Rh2 110.4(4) . . ?
C48 C49 H49 114.3 . . ?
C50 C49 Rh2 71.4(3) . . ?
C50 C49 C48 124.2(6) . . ?
C50 C49 H49 114.3 . . ?
Rh2 C50 H50 113.7 . . ?
C49 C50 Rh2 74.3(3) . . ?
C49 C50 H50 113.7 . . ?
C49 C50 C51 126.3(6) . . ?
C51 C50 Rh2 107.6(4) . . ?
C51 C50 H50 113.7 . . ?
C50 C51 H51A 109.0 . . ?
C50 C51 H51B 109.0 . . ?
C50 C51 C52 113.1(5) . . ?
H51A C51 H51B 107.8 . . ?
C52 C51 H51A 109.0 . . ?
C52 C51 H51B 109.0 . . ?
C45 C52 C51 114.5(5) . . ?
C45 C52 H52A 108.6 . . ?
C45 C52 H52B 108.6 . . ?
C51 C52 H52A 108.6 . . ?
C51 C52 H52B 108.6 . . ?
H52A C52 H52B 107.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 O1 C12 150.2(3) . . . . ?
Rh1 P1 O2 C12' -59.5(3) . . . . ?
Rh1 P1 C2 C1 -112.5(4) . . . . ?
Rh1 P1 C2 C3 57.9(4) . . . . ?
Rh1 C19 C20 C21 -104.2(5) . . . . ?
Rh1 C19 C26 C25 39.8(5) . . . . ?
Rh1 C20 C21 C22 10.6(5) . . . . ?
Rh1 C23 C24 C25 -102.1(5) . . . . ?
Rh1 C24 C25 C26 14.0(5) . . . . ?
Rh2 P2 O4 C38 63.1(3) . . . . ?
Rh2 P2 O5 C38' -153.2(3) . . . . ?
Rh2 P2 C28 C27 112.1(5) . . . . ?
Rh2 P2 C28 C29 -57.8(4) . . . . ?
Rh2 C45 C46 C47 -103.5(5) . . . . ?
Rh2 C45 C52 C51 -8.0(6) . . . . ?
Rh2 C46 C47 C48 -36.7(6) . . . . ?
Rh2 C49 C50 C51 -100.5(6) . . . . ?
Rh2 C50 C51 C52 -36.3(5) . . . . ?
P1 O1 C12 C11 -63.2(5) . . . . ?
P1 O1 C12 C13 123.9(4) . . . . ?
P1 O2 C12' C11' -78.3(5) . . . . ?
P1 O2 C12' C13' 104.0(4) . . . . ?
P1 C2 C3 C4 -169.9(4) . . . . ?
P2 O4 C38 C37 77.7(5) . . . . ?
P2 O4 C38 C39 -104.5(5) . . . . ?
P2 O5 C38' C37' 64.9(6) . . . . ?
P2 O5 C38' C39' -123.5(4) . . . . ?
P2 C28 C29 C30 170.7(4) . . . . ?
O1 P1 O2 C12' 61.3(3) . . . . ?
O1 P1 C2 C1 121.7(5) . . . . ?
O1 P1 C2 C3 -67.8(4) . . . . ?
O1 C12 C13 C14 172.9(4) . . . . ?
O1 C12 C13 C17 -3.7(7) . . . . ?
O2 P1 O1 C12 26.6(4) . . . . ?
O2 P1 C2 C1 15.1(5) . . . . ?
O2 P1 C2 C3 -174.5(4) . . . . ?
O2 C12' C13' C14' 178.7(4) . . . . ?
O2 C12' C13' C17' -0.9(7) . . . . ?
O3 C2' C3' C4' -179.7(4) . . . . ?
O4 P2 O5 C38' -30.5(4) . . . . ?
O4 P2 C28 C27 -14.4(5) . . . . ?
O4 P2 C28 C29 175.7(4) . . . . ?
O4 C38 C39 C40 -179.1(5) . . . . ?
O4 C38 C39 C43 0.4(8) . . . . ?
O5 P2 O4 C38 -57.5(4) . . . . ?
O5 P2 C28 C27 -121.3(5) . . . . ?
O5 P2 C28 C29 68.7(4) . . . . ?
O5 C38' C39' C40' -173.3(4) . . . . ?
O5 C38' C39' C43' 3.0(7) . . . . ?
O6 C28' C29' C30' -178.4(5) . . . . ?
C1 C1' C2' O3 2.6(6) . . . . ?
C1 C1' C2' C3' -178.0(4) . . . . ?
C1 C1' C9' C8' -4.4(7) . . . . ?
C1 C1' C9' C10' 177.9(4) . . . . ?
C1 C2 C3 C4 1.5(8) . . . . ?
C1 C9 C10 C4 1.2(7) . . . . ?
C1 C9 C10 C5 -176.4(4) . . . . ?
C1' C1 C2 P1 -13.4(7) . . . . ?
C1' C1 C2 C3 176.9(4) . . . . ?
C1' C1 C9 C8 4.0(6) . . . . ?
C1' C1 C9 C10 -178.3(4) . . . . ?
C1' C2' C3' C4' 0.8(7) . . . . ?
C1' C9' C10' C4' -0.7(7) . . . . ?
C1' C9' C10' C5' -179.8(4) . . . . ?
C2 P1 O1 C12 -79.8(4) . . . . ?
C2 P1 O2 C12' 171.0(3) . . . . ?
C2 C1 C1' C2' -82.8(6) . . . . ?
C2 C1 C1' C9' 99.5(6) . . . . ?
C2 C1 C9 C8 -175.4(4) . . . . ?
C2 C1 C9 C10 2.3(7) . . . . ?
C2 C3 C4 C10 2.2(7) . . . . ?
C2' C1' C9' C8' 178.0(4) . . . . ?
C2' C1' C9' C10' 0.3(7) . . . . ?
C2' C3' C4' C10' -1.3(8) . . . . ?
C3 C4 C10 C5 174.0(5) . . . . ?
C3 C4 C10 C9 -3.5(7) . . . . ?
C3' C4' C10' C5' -179.7(5) . . . . ?
C3' C4' C10' C9' 1.2(7) . . . . ?
C5 C6 C7 C8 -0.1(8) . . . . ?
C5' C6' C7' C8' 1.1(8) . . . . ?
C6 C5 C10 C4 -177.1(5) . . . . ?
C6 C5 C10 C9 0.4(7) . . . . ?
C6 C7 C8 C9 2.1(8) . . . . ?
C6' C5' C10' C4' 178.1(5) . . . . ?
C6' C5' C10' C9' -2.9(7) . . . . ?
C6' C7' C8' C9' -1.5(8) . . . . ?
C7 C8 C9 C1 175.1(5) . . . . ?
C7 C8 C9 C10 -2.8(7) . . . . ?
C7' C8' C9' C1' -178.0(5) . . . . ?
C7' C8' C9' C10' -0.3(7) . . . . ?
C8 C9 C10 C4 179.1(4) . . . . ?
C8 C9 C10 C5 1.5(7) . . . . ?
C8' C9' C10' C4' -178.5(4) . . . . ?
C8' C9' C10' C5' 2.4(7) . . . . ?
C9 C1 C1' C2' 97.8(5) . . . . ?
C9 C1 C1' C9' -79.8(5) . . . . ?
C9 C1 C2 P1 165.9(4) . . . . ?
C9 C1 C2 C3 -3.7(7) . . . . ?
C9' C1' C2' O3 -179.8(4) . . . . ?
C9' C1' C2' C3' -0.3(7) . . . . ?
C10 C5 C6 C7 -1.2(8) . . . . ?
C10' C5' C6' C7' 1.1(8) . . . . ?
C11 C11' C12' O2 0.4(7) . . . . ?
C11 C11' C12' C13' 178.0(4) . . . . ?
C11 C11' C16' C15' -179.2(5) . . . . ?
C11 C12 C13 C14 0.3(7) . . . . ?
C11 C12 C13 C17 -176.2(5) . . . . ?
C11' C11 C12 O1 3.9(7) . . . . ?
C11' C11 C12 C13 176.2(4) . . . . ?
C11' C11 C16 C15 -176.7(5) . . . . ?
C11' C12' C13' C14' 1.0(7) . . . . ?
C11' C12' C13' C17' -178.5(5) . . . . ?
C12 C11 C11' C12' 44.4(7) . . . . ?
C12 C11 C11' C16' -136.8(5) . . . . ?
C12 C11 C16 C15 0.0(7) . . . . ?
C12 C13 C14 C15 0.0(7) . . . . ?
C12' C11' C16' C15' -0.4(7) . . . . ?
C12' C13' C14' C15' -0.1(7) . . . . ?
C13 C14 C15 C16 -0.3(8) . . . . ?
C13' C14' C15' C16' -1.1(8) . . . . ?
C14 C15 C16 C11 0.3(8) . . . . ?
C14' C15' C16' C11' 1.3(8) . . . . ?
C16 C11 C11' C12' -139.2(5) . . . . ?
C16 C11 C11' C16' 39.6(7) . . . . ?
C16 C11 C12 O1 -172.6(4) . . . . ?
C16 C11 C12 C13 -0.3(7) . . . . ?
C16' C11' C12' O2 -178.4(4) . . . . ?
C16' C11' C12' C13' -0.8(7) . . . . ?
C17 C13 C14 C15 176.5(5) . . . . ?
C17' C13' C14' C15' 179.5(5) . . . . ?
C18 O3 C2' C1' 161.9(4) . . . . ?
C18 O3 C2' C3' -17.6(7) . . . . ?
C19 C20 C21 C22 91.3(6) . . . . ?
C20 C19 C26 C25 -41.2(7) . . . . ?
C20 C21 C22 C23 -33.8(6) . . . . ?
C21 C22 C23 Rh1 38.1(5) . . . . ?
C21 C22 C23 C24 -43.8(7) . . . . ?
C22 C23 C24 Rh1 99.0(5) . . . . ?
C22 C23 C24 C25 -3.1(8) . . . . ?
C23 C24 C25 C26 94.8(6) . . . . ?
C24 C25 C26 C19 -35.6(6) . . . . ?
C26 C19 C20 Rh1 102.2(5) . . . . ?
C26 C19 C20 C21 -2.0(8) . . . . ?
C27 C27' C28' O6 -1.2(7) . . . . ?
C27 C27' C28' C29' 179.2(5) . . . . ?
C27 C27' C35' C34' -0.6(7) . . . . ?
C27 C27' C35' C36' -177.7(4) . . . . ?
C27 C28 C29 C30 -0.2(8) . . . . ?
C27 C35 C36 C30 -1.6(7) . . . . ?
C27 C35 C36 C31 176.6(5) . . . . ?
C27' C27 C28 P2 15.7(8) . . . . ?
C27' C27 C28 C29 -175.1(5) . . . . ?
C27' C27 C35 C34 -5.1(7) . . . . ?
C27' C27 C35 C36 176.1(4) . . . . ?
C27' C28' C29' C30' 1.2(8) . . . . ?
C27' C35' C36' C30' -4.0(7) . . . . ?
C27' C35' C36' C31' 175.8(5) . . . . ?
C28 P2 O4 C38 -167.8(3) . . . . ?
C28 P2 O5 C38' 76.1(4) . . . . ?
C28 C27 C27' C28' -104.6(6) . . . . ?
C28 C27 C27' C35' 76.7(6) . . . . ?
C28 C27 C35 C34 176.9(5) . . . . ?
C28 C27 C35 C36 -1.9(7) . . . . ?
C28 C29 C30 C36 -3.5(8) . . . . ?
C28' C27' C35' C34' -179.3(5) . . . . ?
C28' C27' C35' C36' 3.6(7) . . . . ?
C28' C29' C30' C36' -1.8(9) . . . . ?
C29 C30 C36 C31 -173.9(5) . . . . ?
C29 C30 C36 C35 4.3(7) . . . . ?
C29' C30' C36' C31' -176.7(5) . . . . ?
C29' C30' C36' C35' 3.2(8) . . . . ?
C31 C32 C33 C34 -0.8(9) . . . . ?
C31' C32' C33' C34' -0.2(8) . . . . ?
C32 C31 C36 C30 177.7(5) . . . . ?
C32 C31 C36 C35 -0.5(8) . . . . ?
C32 C33 C34 C35 -1.9(8) . . . . ?
C32' C31' C36' C30' -178.5(6) . . . . ?
C32' C31' C36' C35' 1.6(8) . . . . ?
C32' C33' C34' C35' 0.3(8) . . . . ?
C33 C34 C35 C27 -175.4(5) . . . . ?
C33 C34 C35 C36 3.3(8) . . . . ?
C33' C34' C35' C27' -176.6(5) . . . . ?
C33' C34' C35' C36' 0.6(7) . . . . ?
C34 C35 C36 C30 179.6(5) . . . . ?
C34 C35 C36 C31 -2.2(7) . . . . ?
C34' C35' C36' C30' 178.7(5) . . . . ?
C34' C35' C36' C31' -1.4(7) . . . . ?
C35 C27 C27' C28' 77.5(6) . . . . ?
C35 C27 C27' C35' -101.2(5) . . . . ?
C35 C27 C28 P2 -166.4(4) . . . . ?
C35 C27 C28 C29 2.8(7) . . . . ?
C35' C27' C28' O6 177.4(4) . . . . ?
C35' C27' C28' C29' -2.2(8) . . . . ?
C36 C31 C32 C33 2.0(8) . . . . ?
C36' C31' C32' C33' -0.7(9) . . . . ?
C37 C37' C38' O5 -3.6(7) . . . . ?
C37 C37' C38' C39' -174.7(5) . . . . ?
C37 C37' C42' C41' 175.5(5) . . . . ?
C37 C38 C39 C40 -1.3(8) . . . . ?
C37 C38 C39 C43 178.2(5) . . . . ?
C37' C37 C38 O4 -2.1(7) . . . . ?
C37' C37 C38 C39 -179.9(5) . . . . ?
C37' C37 C42 C41 -179.1(5) . . . . ?
C37' C38' C39' C40' -2.0(8) . . . . ?
C37' C38' C39' C43' 174.3(5) . . . . ?
C38 C37 C37' C38' -43.3(8) . . . . ?
C38 C37 C37' C42' 139.3(5) . . . . ?
C38 C37 C42 C41 0.8(8) . . . . ?
C38 C39 C40 C41 1.3(8) . . . . ?
C38' C37' C42' C41' -2.1(8) . . . . ?
C38' C39' C40' C41' 0.5(8) . . . . ?
C39 C40 C41 C42 -0.3(9) . . . . ?
C39' C40' C41' C42' 0.1(8) . . . . ?
C40 C41 C42 C37 -0.7(9) . . . . ?
C40' C41' C42' C37' 0.8(8) . . . . ?
C42 C37 C37' C38' 136.6(5) . . . . ?
C42 C37 C37' C42' -40.9(7) . . . . ?
C42 C37 C38 O4 178.0(4) . . . . ?
C42 C37 C38 C39 0.3(8) . . . . ?
C42' C37' C38' O5 173.9(4) . . . . ?
C42' C37' C38' C39' 2.8(7) . . . . ?
C43 C39 C40 C41 -178.2(6) . . . . ?
C43' C39' C40' C41' -175.8(5) . . . . ?
C44 O6 C28' C27' 155.7(6) . . . . ?
C44 O6 C28' C29' -24.7(8) . . . . ?
C45 C46 C47 C48 44.3(8) . . . . ?
C46 C45 C52 C51 -89.6(7) . . . . ?
C46 C47 C48 C49 32.7(7) . . . . ?
C47 C48 C49 Rh2 -13.1(6) . . . . ?
C47 C48 C49 C50 -93.9(7) . . . . ?
C48 C49 C50 Rh2 102.4(5) . . . . ?
C48 C49 C50 C51 1.9(9) . . . . ?
C49 C50 C51 C52 46.8(8) . . . . ?
C50 C51 C52 C45 30.7(7) . . . . ?
C52 C45 C46 Rh2 104.6(5) . . . . ?
C52 C45 C46 C47 1.1(9) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 0 1 0.0769 -0.0000 -0.0001 0.9993 -0.0078 0.0331 -0.0097
1 1 2 0.0888 0.9992 0.9992 1.9991 -0.0973 0.0483 -0.0181
1 -2 -2 0.1289 0.9993 -1.9986 -1.9983 -0.0038 -0.0997 -0.0829
0 -3 1 0.1314 -0.0000 -2.9981 0.9991 0.0547 0.0175 -0.1132
-1 -3 1 0.0894 -0.9993 -2.9981 0.9986 0.1156 0.0406 -0.0800
1 3 0 0.0752 0.9992 2.9981 0.0006 -0.1233 -0.0075 0.0703
-1 1 1 0.1156 -0.9993 0.9993 0.9989 0.0323 0.0614 0.0581
2 1 0 0.1008 1.9985 0.9993 0.0009 -0.1426 -0.0410 -0.0320
0 0 -1 0.0279 0.0000 0.0001 -0.9993 0.0078 -0.0331 0.0097

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ljh140089_fa
_database_code_depnum_ccdc_archive 'CCDC 1483135'
_audit_update_record             
;
2016-06-02 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2014-07-18
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2014.06.27 svn.r2953 for OlexSys, GUI svn.r4855)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C68 H50 Cl2 O4 P2 Pd, 3(C H Cl3)'
_chemical_formula_sum            'C71 H53 Cl11 O4 P2 Pd'
_chemical_formula_weight         1528.42
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C71 H53 O4 P2 Cl11 Pd1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.5925(9)
_cell_length_b                   21.8177(11)
_cell_length_c                   14.4054(11)
_cell_angle_alpha                90
_cell_angle_beta                 111.477(8)
_cell_angle_gamma                90
_cell_volume                     3390.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    17254
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      28.3340
_cell_measurement_theta_min      3.1620
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.803
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0727
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.834
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22655
_diffrn_reflns_point_group_measured_fraction_full 0.926
_diffrn_reflns_point_group_measured_fraction_max 0.740
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.896
_diffrn_reflns_theta_min         2.932
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.834
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    6.00   32.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       -8.8289   38.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
  2 omega  -20.00   13.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       -8.8289  -38.0000   90.0000 33

#__ type_ start__ end____ width___ exp.time_
  3 omega  -64.00   35.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       10.4695  -38.0000  -90.0000 99

#__ type_ start__ end____ width___ exp.time_
  4 omega    7.00   46.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       10.4695  -99.0000   90.0000 39

#__ type_ start__ end____ width___ exp.time_
  5 omega   12.00   70.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       10.4695   57.0000   90.0000 58

#__ type_ start__ end____ width___ exp.time_
  6 omega   -8.00   74.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       10.4695   57.0000   30.0000 82

#__ type_ start__ end____ width___ exp.time_
  7 omega  -15.00   49.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       10.4695  -90.0000 -163.2525 64

#__ type_ start__ end____ width___ exp.time_
  8 omega  -85.00   18.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       -8.8289  -38.0000 -150.0000 103

#__ type_ start__ end____ width___ exp.time_
  9 omega  -35.00   24.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       -8.8289   38.0000 -150.0000 59

#__ type_ start__ end____ width___ exp.time_
 10 omega   -4.00   52.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       10.4695  -99.0000    0.0000 56
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0357370000
_diffrn_orient_matrix_UB_12      -0.0079985000
_diffrn_orient_matrix_UB_13      -0.0500381000
_diffrn_orient_matrix_UB_21      0.0551152000
_diffrn_orient_matrix_UB_22      -0.0073350000
_diffrn_orient_matrix_UB_23      -0.0082919000
_diffrn_orient_matrix_UB_31      -0.0038474000
_diffrn_orient_matrix_UB_32      -0.0306558000
_diffrn_orient_matrix_UB_33      0.0150270000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.731
_reflns_Friedel_fraction_full    0.865
_reflns_Friedel_fraction_max     0.641
_reflns_number_gt                11252
_reflns_number_total             13225
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2008)'
_refine_diff_density_max         0.661
_refine_diff_density_min         -0.640
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details 
;
 Flack x determined using 4219 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.052(15)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     831
_refine_ls_number_reflns         13225
_refine_ls_number_restraints     787
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0455
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0212P)²+2.7009P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0892
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(Cl8) = Uanis(Cl11)
Uanis(Cl10) = Uanis(Cl7)
Uanis(C36) = Uanis(C37)
Uanis(Cl6) = Uanis(Cl9)
Uanis(Cl15) = Uanis(Cl12)
Uanis(Cl13) = Uanis(Cl16)
Uanis(C38) = Uanis(C39)
Uanis(Cl14) = Uanis(Cl17)
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Same fragment restrains
{Cl9, Cl10, Cl11, C37}
as
{Cl6, Cl7, Cl8, C36}
{Cl15, Cl16, Cl17, C39}
as
{Cl12, Cl13, Cl14, C38}
5. Others
 Sof(Cl9)=Sof(Cl10)=Sof(Cl11)=Sof(C37)=Sof(H37)=Sof(Cl15)=Sof(Cl16)=Sof(Cl17)=
 Sof(C39)=Sof(H39)=1-FVAR(1)
 Sof(Cl6)=Sof(Cl7)=Sof(Cl8)=Sof(C36)=Sof(H36)=Sof(Cl12)=Sof(Cl13)=Sof(Cl14)=
 Sof(C38)=Sof(H38)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C35(H35), C36(H36), C37(H37), C38(H38), C39(H39)
6.b Aromatic/amide H refined with riding coordinates:
 C2'(H2'), C3(H3), C3'(H3'), C4(H4), C4'(H4'), C5(H5), C5'(H5'), C6(H6),
 C6'(H6'), C7(H7), C7'(H7'), C8(H8), C8'(H8'), C14(H14), C14'(H14'), C15(H15),
 C15'(H15'), C16(H16), C16'(H16'), C19'(H19'), C20(H20), C20'(H20'), C21(H21),
 C21'(H21'), C22(H22), C22'(H22'), C23(H23), C23'(H23'), C24(H24), C24'(H24'),
 C25(H25), C25'(H25'), C31(H31), C31'(H31'), C32(H32), C32'(H32'), C33(H33),
 C33'(H33')
6.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C17'(H17D,H17E,H17F), C34(H34A,H34B,H34C), C34'(H34D,
 H34E,H34F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.52138(4) 0.53419(2) 0.87312(3) 0.01860(9) Uani 1 1 d . . . . .
Cl1 Cl 0.46848(15) 0.63150(6) 0.80244(11) 0.0319(4) Uani 1 1 d . . . . .
Cl2 Cl 0.66654(14) 0.57691(7) 1.01872(11) 0.0294(3) Uani 1 1 d . . . . .
P1 P 0.58378(14) 0.44533(6) 0.95110(11) 0.0193(3) Uani 1 1 d . . . . .
P2 P 0.37609(13) 0.50056(6) 0.73233(11) 0.0185(3) Uani 1 1 d . . . . .
O1 O 0.4975(4) 0.38822(17) 0.9007(3) 0.0245(9) Uani 1 1 d . . . . .
O2 O 0.7183(3) 0.42617(17) 0.9546(3) 0.0214(9) Uani 1 1 d . . . . .
O3 O 0.3787(3) 0.42880(16) 0.7125(3) 0.0208(8) Uani 1 1 d . . . . .
O4 O 0.2390(3) 0.51295(16) 0.7295(3) 0.0207(8) Uani 1 1 d . . . . .
C1 C 0.6806(5) 0.4152(2) 1.1596(4) 0.0196(11) Uani 1 1 d . . . . .
C1' C 0.7951(5) 0.3855(3) 1.1560(4) 0.0226(12) Uani 1 1 d . . . . .
C2 C 0.5926(5) 0.4442(2) 1.0792(4) 0.0207(12) Uani 1 1 d . . . . .
C2' C 0.7987(6) 0.3242(3) 1.1368(4) 0.0284(14) Uani 1 1 d . . . . .
H2' H 0.7275 0.3007 1.1236 0.034 Uiso 1 1 calc R . . . .
C3 C 0.4891(5) 0.4739(3) 1.0894(4) 0.0272(13) Uani 1 1 d . . . . .
H3 H 0.4311 0.4928 1.0341 0.033 Uiso 1 1 calc R . . . .
C3' C 0.9072(6) 0.2960(3) 1.1367(5) 0.0390(16) Uani 1 1 d . . . . .
H3' H 0.9064 0.2545 1.1212 0.047 Uiso 1 1 calc R . . . .
C4 C 0.4727(6) 0.4754(3) 1.1782(5) 0.0301(14) Uani 1 1 d . . . . .
H4 H 0.4046 0.4956 1.1834 0.036 Uiso 1 1 calc R . . . .
C4' C 1.0140(7) 0.3289(3) 1.1590(6) 0.0430(17) Uani 1 1 d . . . . .
H4' H 1.0859 0.3096 1.1599 0.052 Uiso 1 1 calc R . . . .
C5 C 0.5463(6) 0.4476(3) 1.3560(5) 0.0304(14) Uani 1 1 d . . . . .
H5 H 0.4798 0.4684 1.3628 0.036 Uiso 1 1 calc R . . . .
C5' C 1.1273(6) 0.4269(3) 1.2062(6) 0.0449(18) Uani 1 1 d . . . . .
H5' H 1.2006 0.4080 1.2093 0.054 Uiso 1 1 calc R . . . .
C6 C 0.6305(6) 0.4185(3) 1.4368(5) 0.0344(15) Uani 1 1 d . . . . .
H6 H 0.6213 0.4197 1.4982 0.041 Uiso 1 1 calc R . . . .
C6' C 1.1272(7) 0.4873(4) 1.2259(6) 0.0488(19) Uani 1 1 d . . . . .
H6' H 1.1999 0.5099 1.2412 0.059 Uiso 1 1 calc R . . . .
C7 C 0.7299(6) 0.3872(3) 1.4267(4) 0.0309(14) Uani 1 1 d . . . . .
H7 H 0.7858 0.3672 1.4819 0.037 Uiso 1 1 calc R . . . .
C7' C 1.0186(6) 0.5162(3) 1.2235(5) 0.0409(17) Uani 1 1 d . . . . .
H7' H 1.0197 0.5578 1.2379 0.049 Uiso 1 1 calc R . . . .
C8 C 0.7475(5) 0.3849(3) 1.3386(4) 0.0261(13) Uani 1 1 d . . . . .
H8 H 0.8147 0.3635 1.3343 0.031 Uiso 1 1 calc R . . . .
C8' C 0.9109(6) 0.4838(3) 1.2000(4) 0.0278(13) Uani 1 1 d . . . . .
H8' H 0.8391 0.5037 1.1979 0.033 Uiso 1 1 calc R . . . .
C9 C 0.6629(5) 0.4154(3) 1.2523(4) 0.0231(12) Uani 1 1 d . . . . .
C9' C 0.9068(5) 0.4211(3) 1.1791(4) 0.0258(13) Uani 1 1 d . . . . .
C10 C 0.5600(6) 0.4463(3) 1.2627(4) 0.0252(13) Uani 1 1 d . . . . .
C10' C 1.0167(6) 0.3915(3) 1.1807(5) 0.0320(14) Uani 1 1 d . . . . .
C11 C 0.6310(6) 0.3052(3) 0.8899(4) 0.0307(14) Uani 1 1 d . . . . .
C11' C 0.6877(6) 0.3453(3) 0.8348(4) 0.0297(14) Uani 1 1 d . . . . .
C12 C 0.5403(6) 0.3270(3) 0.9238(4) 0.0269(13) Uani 1 1 d . . . . .
C12' C 0.7286(5) 0.4049(3) 0.8652(4) 0.0257(13) Uani 1 1 d . . . . .
C13 C 0.4823(7) 0.2912(3) 0.9736(4) 0.0365(16) Uani 1 1 d . . . . .
C13' C 0.7837(6) 0.4426(3) 0.8159(5) 0.0324(14) Uani 1 1 d . . . . .
C14 C 0.5194(7) 0.2295(3) 0.9888(5) 0.0429(17) Uani 1 1 d . . . . .
H14 H 0.4822 0.2034 1.0206 0.051 Uiso 1 1 calc R . . . .
C14' C 0.7985(6) 0.4179(3) 0.7314(5) 0.0385(16) Uani 1 1 d . . . . .
H14' H 0.8350 0.4416 0.6960 0.046 Uiso 1 1 calc R . . . .
C15 C 0.6101(8) 0.2073(3) 0.9573(5) 0.0504(19) Uani 1 1 d . . . . .
H15 H 0.6344 0.1666 0.9695 0.060 Uiso 1 1 calc R . . . .
C15' C 0.7601(7) 0.3592(4) 0.6996(5) 0.0436(17) Uani 1 1 d . . . . .
H15' H 0.7717 0.3438 0.6435 0.052 Uiso 1 1 calc R . . . .
C16 C 0.6654(7) 0.2441(3) 0.9081(5) 0.0420(17) Uani 1 1 d . . . . .
H16 H 0.7259 0.2280 0.8870 0.050 Uiso 1 1 calc R . . . .
C16' C 0.7045(7) 0.3231(3) 0.7503(5) 0.0398(16) Uani 1 1 d . . . . .
H16' H 0.6782 0.2837 0.7276 0.048 Uiso 1 1 calc R . . . .
C17 C 0.3861(7) 0.3160(3) 1.0096(6) 0.0499(19) Uani 1 1 d . . . . .
H17A H 0.4236 0.3451 1.0621 0.075 Uiso 1 1 calc GR . . . .
H17B H 0.3507 0.2830 1.0344 0.075 Uiso 1 1 calc GR . . . .
H17C H 0.3223 0.3359 0.9555 0.075 Uiso 1 1 calc GR . . . .
C17' C 0.8251(6) 0.5059(3) 0.8529(6) 0.0400(17) Uani 1 1 d . . . . .
H17D H 0.7539 0.5311 0.8437 0.060 Uiso 1 1 calc GR . . . .
H17E H 0.8719 0.5229 0.8163 0.060 Uiso 1 1 calc GR . . . .
H17F H 0.8759 0.5043 0.9225 0.060 Uiso 1 1 calc GR . . . .
C18 C 0.2858(5) 0.5623(2) 0.5432(4) 0.0234(12) Uani 1 1 d . . . . .
C18' C 0.1543(6) 0.5579(3) 0.5348(4) 0.0269(13) Uani 1 1 d . . . . .
C19 C 0.3837(4) 0.5370(3) 0.6221(4) 0.0206(10) Uani 1 1 d . . . . .
C19' C 0.0867(6) 0.5079(3) 0.4886(5) 0.0340(15) Uani 1 1 d . . . . .
H19' H 0.1218 0.4791 0.4593 0.041 Uiso 1 1 calc R . . . .
C20 C 0.5062(5) 0.5366(3) 0.6213(4) 0.0256(11) Uani 1 1 d . . . . .
H20 H 0.5702 0.5194 0.6748 0.031 Uiso 1 1 calc R . . . .
C20' C -0.0356(6) 0.4993(3) 0.4847(6) 0.0459(19) Uani 1 1 d . . . . .
H20' H -0.0810 0.4655 0.4513 0.055 Uiso 1 1 calc R . . . .
C21 C 0.5308(6) 0.5607(3) 0.5443(5) 0.0321(14) Uani 1 1 d . . . . .
H21 H 0.6108 0.5586 0.5440 0.038 Uiso 1 1 calc R . . . .
C21' C -0.0869(6) 0.5392(4) 0.5287(6) 0.0499(18) Uani 1 1 d . . . . .
H21' H -0.1655 0.5313 0.5292 0.060 Uiso 1 1 calc R . . . .
C22 C 0.4608(8) 0.6155(3) 0.3829(5) 0.0445(18) Uani 1 1 d . . . . .
H22 H 0.5401 0.6136 0.3813 0.053 Uiso 1 1 calc R . . . .
C22' C -0.0765(7) 0.6373(4) 0.6173(6) 0.053(2) Uani 1 1 d . . . . .
H22' H -0.1559 0.6308 0.6170 0.064 Uiso 1 1 calc R . . . .
C23 C 0.3672(8) 0.6436(3) 0.3071(6) 0.053(2) Uani 1 1 d . . . . .
H23 H 0.3833 0.6603 0.2536 0.064 Uiso 1 1 calc R . . . .
C23' C -0.0143(7) 0.6897(4) 0.6593(6) 0.052(2) Uani 1 1 d . . . . .
H23' H -0.0521 0.7188 0.6860 0.062 Uiso 1 1 calc R . . . .
C24 C 0.2489(8) 0.6474(3) 0.3094(5) 0.0483(19) Uani 1 1 d . . . . .
H24 H 0.1876 0.6680 0.2584 0.058 Uiso 1 1 calc R . . . .
C24' C 0.1065(7) 0.6996(3) 0.6622(6) 0.0430(18) Uani 1 1 d . . . . .
H24' H 0.1489 0.7350 0.6915 0.052 Uiso 1 1 calc R . . . .
C25 C 0.2202(7) 0.6218(3) 0.3841(5) 0.0400(17) Uani 1 1 d . . . . .
H25 H 0.1398 0.6245 0.3835 0.048 Uiso 1 1 calc R . . . .
C25' C 0.1625(6) 0.6575(3) 0.6222(5) 0.0315(14) Uani 1 1 d . . . . .
H25' H 0.2427 0.6645 0.6248 0.038 Uiso 1 1 calc R . . . .
C26 C 0.3144(6) 0.5906(2) 0.4641(4) 0.0267(13) Uani 1 1 d . . . . .
C26' C 0.0997(5) 0.6035(3) 0.5769(5) 0.0290(14) Uani 1 1 d . . . . .
C27 C 0.4363(6) 0.5889(3) 0.4644(5) 0.0307(14) Uani 1 1 d . . . . .
C27' C -0.0231(6) 0.5937(3) 0.5749(6) 0.0404(16) Uani 1 1 d . . . . .
C28 C 0.1729(5) 0.3887(3) 0.6762(4) 0.0246(12) Uani 1 1 d . . . . .
C28' C 0.1639(5) 0.4167(3) 0.7671(5) 0.0250(13) Uani 1 1 d . . . . .
C29 C 0.2738(5) 0.3971(2) 0.6474(4) 0.0244(12) Uani 1 1 d . . . . .
C29' C 0.1963(5) 0.4779(3) 0.7927(4) 0.0222(12) Uani 1 1 d . . . . .
C30 C 0.2808(6) 0.3724(3) 0.5607(5) 0.0296(14) Uani 1 1 d . . . . .
C30' C 0.1836(5) 0.5068(3) 0.8738(5) 0.0270(13) Uani 1 1 d . . . . .
C31 C 0.1801(6) 0.3375(3) 0.5014(5) 0.0385(16) Uani 1 1 d . . . . .
H31 H 0.1811 0.3207 0.4423 0.046 Uiso 1 1 calc R . . . .
C31' C 0.1383(5) 0.4723(3) 0.9335(5) 0.0321(14) Uani 1 1 d . . . . .
H31' H 0.1298 0.4903 0.9893 0.039 Uiso 1 1 calc R . . . .
C32 C 0.0800(6) 0.3272(3) 0.5279(5) 0.0396(16) Uani 1 1 d . . . . .
H32 H 0.0143 0.3033 0.4876 0.048 Uiso 1 1 calc R . . . .
C32' C 0.1048(6) 0.4108(3) 0.9113(5) 0.0356(15) Uani 1 1 d . . . . .
H32' H 0.0747 0.3882 0.9523 0.043 Uiso 1 1 calc R . . . .
C33 C 0.0764(6) 0.3525(3) 0.6146(5) 0.0366(16) Uani 1 1 d . . . . .
H33 H 0.0082 0.3451 0.6323 0.044 Uiso 1 1 calc R . . . .
C33' C 0.1165(5) 0.3840(3) 0.8291(5) 0.0293(14) Uani 1 1 d . . . . .
H33' H 0.0926 0.3434 0.8142 0.035 Uiso 1 1 calc R . . . .
C34 C 0.3925(6) 0.3824(3) 0.5331(5) 0.0383(16) Uani 1 1 d . . . . .
H34A H 0.3967 0.4247 0.5164 0.057 Uiso 1 1 calc GR . . . .
H34B H 0.3863 0.3572 0.4768 0.057 Uiso 1 1 calc GR . . . .
H34C H 0.4661 0.3717 0.5886 0.057 Uiso 1 1 calc GR . . . .
C34' C 0.2127(7) 0.5740(3) 0.8929(6) 0.0400(18) Uani 1 1 d . . . . .
H34D H 0.2975 0.5813 0.9009 0.060 Uiso 1 1 calc GR . . . .
H34E H 0.2000 0.5861 0.9526 0.060 Uiso 1 1 calc GR . . . .
H34F H 0.1591 0.5975 0.8375 0.060 Uiso 1 1 calc GR . . . .
Cl3 Cl 0.40001(18) 0.74539(9) 0.53417(18) 0.0602(6) Uani 1 1 d . . . . .
Cl4 Cl 0.6601(2) 0.71968(10) 0.6039(2) 0.0673(6) Uani 1 1 d . . . . .
Cl5 Cl 0.5605(3) 0.79191(11) 0.72359(18) 0.0825(8) Uani 1 1 d . . . . .
C35 C 0.5335(6) 0.7311(3) 0.6391(6) 0.0422(17) Uani 1 1 d . . . . .
H35 H 0.5202 0.6938 0.6716 0.051 Uiso 1 1 calc R . . . .
Cl6 Cl 0.8477(10) 0.6786(4) 0.8722(5) 0.1208(19) Uani 0.742(5) 1 d . . P A 1
Cl7 Cl 1.0174(4) 0.61974(19) 1.0452(3) 0.0639(11) Uani 0.742(5) 1 d . . P A 1
Cl8 Cl 0.9670(4) 0.74632(16) 1.0537(4) 0.0703(11) Uani 0.742(5) 1 d . . P A 1
C36 C 0.9039(10) 0.6742(5) 1.0007(8) 0.043(2) Uani 0.742(5) 1 d . . P A 1
H36 H 0.8353 0.6638 1.0223 0.051 Uiso 0.742(5) 1 calc R . P A 1
Cl9 Cl 0.833(3) 0.6734(14) 0.8466(16) 0.1208(19) Uani 0.258(5) 1 d . . P A 2
Cl10 Cl 1.0291(15) 0.6291(7) 1.0086(10) 0.0639(11) Uani 0.258(5) 1 d . . P A 2
Cl11 Cl 0.9092(12) 0.7402(5) 1.0282(12) 0.0703(11) Uani 0.258(5) 1 d . . P A 2
C37 C 0.887(3) 0.6655(12) 0.975(2) 0.043(2) Uani 0.258(5) 1 d . . P A 2
H37 H 0.8289 0.6417 0.9958 0.051 Uiso 0.258(5) 1 calc R . P A 2
Cl12 Cl 0.1518(5) 0.1995(2) 0.7806(4) 0.0989(16) Uani 0.742(5) 1 d . . P A 1
Cl13 Cl 0.2376(5) 0.10448(17) 0.6847(4) 0.0870(16) Uani 0.742(5) 1 d . . P A 1
Cl14 Cl 0.3438(8) 0.2244(3) 0.7019(7) 0.0571(13) Uani 0.742(5) 1 d . . P A 1
C38 C 0.2800(12) 0.1690(5) 0.7577(12) 0.054(2) Uani 0.742(5) 1 d . . P A 1
H38 H 0.3434 0.1573 0.8218 0.065 Uiso 0.742(5) 1 calc R . P A 1
Cl15 Cl 0.1074(13) 0.1790(7) 0.7148(12) 0.0989(16) Uani 0.258(5) 1 d . . P A 2
Cl16 Cl 0.3118(14) 0.1014(5) 0.7304(11) 0.0870(16) Uani 0.258(5) 1 d . . P A 2
Cl17 Cl 0.332(3) 0.2333(8) 0.719(2) 0.0571(13) Uani 0.258(5) 1 d . . P A 2
C39 C 0.271(3) 0.1714(11) 0.764(3) 0.054(2) Uani 0.258(5) 1 d . . P A 2
H39 H 0.3006 0.1738 0.8369 0.065 Uiso 0.258(5) 1 calc R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 Cl1 2.3372(15) . ?
Pd1 Cl2 2.3485(15) . ?
Pd1 P1 2.2246(14) . ?
Pd1 P2 2.2331(15) . ?
P1 O1 1.596(4) . ?
P1 O2 1.597(4) . ?
P1 C2 1.811(6) . ?
P2 O3 1.594(4) . ?
P2 O4 1.598(4) . ?
P2 C19 1.807(6) . ?
O1 C12 1.421(7) . ?
O2 C12' 1.416(7) . ?
O3 C29 1.415(7) . ?
O4 C29' 1.410(7) . ?
C1 C1' 1.495(8) . ?
C1 C2 1.384(8) . ?
C1 C9 1.424(8) . ?
C1' C2' 1.371(8) . ?
C1' C9' 1.440(8) . ?
C2 C3 1.417(8) . ?
C2' H2' 0.9300 . ?
C2' C3' 1.401(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.360(8) . ?
C3' H3' 0.9300 . ?
C3' C4' 1.365(10) . ?
C4 H4 0.9300 . ?
C4 C10 1.418(8) . ?
C4' H4' 0.9300 . ?
C4' C10' 1.399(9) . ?
C5 H5 0.9300 . ?
C5 C6 1.371(9) . ?
C5 C10 1.409(8) . ?
C5' H5' 0.9300 . ?
C5' C6' 1.349(10) . ?
C5' C10' 1.425(9) . ?
C6 H6 0.9300 . ?
C6 C7 1.391(9) . ?
C6' H6' 0.9300 . ?
C6' C7' 1.397(10) . ?
C7 H7 0.9300 . ?
C7 C8 1.358(8) . ?
C7' H7' 0.9300 . ?
C7' C8' 1.366(8) . ?
C8 H8 0.9300 . ?
C8 C9 1.434(8) . ?
C8' H8' 0.9300 . ?
C8' C9' 1.398(8) . ?
C9 C10 1.425(8) . ?
C9' C10' 1.420(9) . ?
C11 C11' 1.486(9) . ?
C11 C12 1.395(9) . ?
C11 C16 1.389(9) . ?
C11' C12' 1.399(8) . ?
C11' C16' 1.388(9) . ?
C12 C13 1.390(9) . ?
C12' C13' 1.385(9) . ?
C13 C14 1.406(9) . ?
C13 C17 1.493(11) . ?
C13' C14' 1.398(9) . ?
C13' C17' 1.494(10) . ?
C14 H14 0.9300 . ?
C14 C15 1.377(11) . ?
C14' H14' 0.9300 . ?
C14' C15' 1.377(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.374(11) . ?
C15' H15' 0.9300 . ?
C15' C16' 1.385(10) . ?
C16 H16 0.9300 . ?
C16' H16' 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17' H17D 0.9600 . ?
C17' H17E 0.9600 . ?
C17' H17F 0.9600 . ?
C18 C18' 1.487(9) . ?
C18 C19 1.393(8) . ?
C18 C26 1.438(8) . ?
C18' C19' 1.366(8) . ?
C18' C26' 1.428(9) . ?
C19 C20 1.424(7) . ?
C19' H19' 0.9300 . ?
C19' C20' 1.411(10) . ?
C20 H20 0.9300 . ?
C20 C21 1.349(8) . ?
C20' H20' 0.9300 . ?
C20' C21' 1.337(11) . ?
C21 H21 0.9300 . ?
C21 C27 1.408(9) . ?
C21' H21' 0.9300 . ?
C21' C27' 1.430(10) . ?
C22 H22 0.9300 . ?
C22 C23 1.371(10) . ?
C22 C27 1.427(9) . ?
C22' H22' 0.9300 . ?
C22' C23' 1.369(10) . ?
C22' C27' 1.393(10) . ?
C23 H23 0.9300 . ?
C23 C24 1.387(12) . ?
C23' H23' 0.9300 . ?
C23' C24' 1.402(11) . ?
C24 H24 0.9300 . ?
C24 C25 1.357(10) . ?
C24' H24' 0.9300 . ?
C24' C25' 1.368(9) . ?
C25 H25 0.9300 . ?
C25 C26 1.436(9) . ?
C25' H25' 0.9300 . ?
C25' C26' 1.413(9) . ?
C26 C27 1.412(9) . ?
C26' C27' 1.429(9) . ?
C28 C28' 1.482(9) . ?
C28 C29 1.389(9) . ?
C28 C33 1.391(8) . ?
C28' C29' 1.400(8) . ?
C28' C33' 1.402(9) . ?
C29 C30 1.390(9) . ?
C29' C30' 1.381(8) . ?
C30 C31 1.393(9) . ?
C30 C34 1.503(9) . ?
C30' C31' 1.383(9) . ?
C30' C34' 1.509(9) . ?
C31 H31 0.9300 . ?
C31 C32 1.367(10) . ?
C31' H31' 0.9300 . ?
C31' C32' 1.401(9) . ?
C32 H32 0.9300 . ?
C32 C33 1.379(10) . ?
C32' H32' 0.9300 . ?
C32' C33' 1.372(9) . ?
C33 H33 0.9300 . ?
C33' H33' 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C34' H34D 0.9600 . ?
C34' H34E 0.9600 . ?
C34' H34F 0.9600 . ?
Cl3 C35 1.750(7) . ?
Cl4 C35 1.737(7) . ?
Cl5 C35 1.749(8) . ?
C35 H35 0.9800 . ?
Cl6 C36 1.725(10) . ?
Cl7 C36 1.714(9) . ?
Cl8 C36 1.785(10) . ?
C36 H36 0.9800 . ?
Cl9 C37 1.73(2) . ?
Cl10 C37 1.73(2) . ?
Cl11 C37 1.78(2) . ?
C37 H37 0.9800 . ?
Cl12 C38 1.767(12) . ?
Cl13 C38 1.716(12) . ?
Cl14 C38 1.758(11) . ?
C38 H38 0.9800 . ?
Cl15 C39 1.77(3) . ?
Cl16 C39 1.72(2) . ?
Cl17 C39 1.76(2) . ?
C39 H39 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Pd1 Cl2 90.94(5) . . ?
P1 Pd1 Cl1 175.23(6) . . ?
P1 Pd1 Cl2 84.30(5) . . ?
P1 Pd1 P2 99.79(5) . . ?
P2 Pd1 Cl1 84.98(5) . . ?
P2 Pd1 Cl2 175.60(6) . . ?
O1 P1 Pd1 114.63(15) . . ?
O1 P1 O2 104.6(2) . . ?
O1 P1 C2 104.2(2) . . ?
O2 P1 Pd1 112.18(16) . . ?
O2 P1 C2 105.9(2) . . ?
C2 P1 Pd1 114.40(19) . . ?
O3 P2 Pd1 115.34(15) . . ?
O3 P2 O4 104.2(2) . . ?
O3 P2 C19 105.3(3) . . ?
O4 P2 Pd1 112.34(15) . . ?
O4 P2 C19 105.7(2) . . ?
C19 P2 Pd1 113.01(18) . . ?
C12 O1 P1 121.3(3) . . ?
C12' O2 P1 117.6(3) . . ?
C29 O3 P2 122.1(3) . . ?
C29' O4 P2 118.2(3) . . ?
C2 C1 C1' 124.1(5) . . ?
C2 C1 C9 117.9(5) . . ?
C9 C1 C1' 117.9(5) . . ?
C2' C1' C1 121.5(5) . . ?
C2' C1' C9' 118.8(6) . . ?
C9' C1' C1 119.7(5) . . ?
C1 C2 P1 127.4(5) . . ?
C1 C2 C3 121.0(5) . . ?
C3 C2 P1 111.4(4) . . ?
C1' C2' H2' 119.2 . . ?
C1' C2' C3' 121.5(6) . . ?
C3' C2' H2' 119.2 . . ?
C2 C3 H3 119.2 . . ?
C4 C3 C2 121.5(5) . . ?
C4 C3 H3 119.2 . . ?
C2' C3' H3' 119.8 . . ?
C4' C3' C2' 120.4(6) . . ?
C4' C3' H3' 119.8 . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C10 119.7(6) . . ?
C10 C4 H4 120.2 . . ?
C3' C4' H4' 119.6 . . ?
C3' C4' C10' 120.7(6) . . ?
C10' C4' H4' 119.6 . . ?
C6 C5 H5 119.8 . . ?
C6 C5 C10 120.4(6) . . ?
C10 C5 H5 119.8 . . ?
C6' C5' H5' 119.6 . . ?
C6' C5' C10' 120.9(7) . . ?
C10' C5' H5' 119.6 . . ?
C5 C6 H6 120.1 . . ?
C5 C6 C7 119.9(6) . . ?
C7 C6 H6 120.0 . . ?
C5' C6' H6' 119.8 . . ?
C5' C6' C7' 120.4(7) . . ?
C7' C6' H6' 119.8 . . ?
C6 C7 H7 119.0 . . ?
C8 C7 C6 121.9(6) . . ?
C8 C7 H7 119.0 . . ?
C6' C7' H7' 119.8 . . ?
C8' C7' C6' 120.4(6) . . ?
C8' C7' H7' 119.8 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.2(6) . . ?
C9 C8 H8 119.9 . . ?
C7' C8' H8' 119.5 . . ?
C7' C8' C9' 121.1(6) . . ?
C9' C8' H8' 119.5 . . ?
C1 C9 C8 121.6(6) . . ?
C1 C9 C10 120.9(5) . . ?
C10 C9 C8 117.5(6) . . ?
C8' C9' C1' 122.2(6) . . ?
C8' C9' C10' 118.8(6) . . ?
C10' C9' C1' 119.0(6) . . ?
C4 C10 C9 118.9(6) . . ?
C5 C10 C4 121.1(6) . . ?
C5 C10 C9 120.0(5) . . ?
C4' C10' C5' 122.0(6) . . ?
C4' C10' C9' 119.6(6) . . ?
C9' C10' C5' 118.4(6) . . ?
C12 C11 C11' 121.6(5) . . ?
C16 C11 C11' 120.9(7) . . ?
C16 C11 C12 117.6(6) . . ?
C12' C11' C11 123.0(6) . . ?
C16' C11' C11 119.7(6) . . ?
C16' C11' C12' 117.3(7) . . ?
C11 C12 O1 118.8(5) . . ?
C13 C12 O1 117.1(6) . . ?
C13 C12 C11 123.9(6) . . ?
C11' C12' O2 117.2(6) . . ?
C13' C12' O2 118.7(5) . . ?
C13' C12' C11' 123.9(6) . . ?
C12 C13 C14 116.2(7) . . ?
C12 C13 C17 122.7(6) . . ?
C14 C13 C17 121.2(7) . . ?
C12' C13' C14' 116.4(6) . . ?
C12' C13' C17' 120.9(6) . . ?
C14' C13' C17' 122.8(6) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.8(7) . . ?
C15 C14 H14 119.6 . . ?
C13' C14' H14' 119.3 . . ?
C15' C14' C13' 121.3(7) . . ?
C15' C14' H14' 119.3 . . ?
C14 C15 H15 119.3 . . ?
C16 C15 C14 121.4(7) . . ?
C16 C15 H15 119.3 . . ?
C14' C15' H15' 119.7 . . ?
C14' C15' C16' 120.7(7) . . ?
C16' C15' H15' 119.7 . . ?
C11 C16 H16 119.9 . . ?
C15 C16 C11 120.1(8) . . ?
C15 C16 H16 119.9 . . ?
C11' C16' H16' 119.8 . . ?
C15' C16' C11' 120.4(7) . . ?
C15' C16' H16' 119.8 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13' C17' H17D 109.5 . . ?
C13' C17' H17E 109.5 . . ?
C13' C17' H17F 109.5 . . ?
H17D C17' H17E 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
C19 C18 C18' 123.0(5) . . ?
C19 C18 C26 117.5(6) . . ?
C26 C18 C18' 119.4(5) . . ?
C19' C18' C18 118.7(6) . . ?
C19' C18' C26' 120.0(6) . . ?
C26' C18' C18 121.4(5) . . ?
C18 C19 P2 127.2(4) . . ?
C18 C19 C20 120.9(5) . . ?
C20 C19 P2 111.9(4) . . ?
C18' C19' H19' 119.5 . . ?
C18' C19' C20' 120.9(7) . . ?
C20' C19' H19' 119.5 . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 121.0(5) . . ?
C21 C20 H20 119.5 . . ?
C19' C20' H20' 119.7 . . ?
C21' C20' C19' 120.6(6) . . ?
C21' C20' H20' 119.7 . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C27 120.5(6) . . ?
C27 C21 H21 119.7 . . ?
C20' C21' H21' 119.4 . . ?
C20' C21' C27' 121.2(7) . . ?
C27' C21' H21' 119.4 . . ?
C23 C22 H22 120.0 . . ?
C23 C22 C27 120.0(8) . . ?
C27 C22 H22 120.0 . . ?
C23' C22' H22' 119.4 . . ?
C23' C22' C27' 121.2(7) . . ?
C27' C22' H22' 119.4 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.5(7) . . ?
C24 C23 H23 119.7 . . ?
C22' C23' H23' 120.0 . . ?
C22' C23' C24' 120.0(7) . . ?
C24' C23' H23' 120.0 . . ?
C23 C24 H24 119.1 . . ?
C25 C24 C23 121.8(7) . . ?
C25 C24 H24 119.1 . . ?
C23' C24' H24' 119.8 . . ?
C25' C24' C23' 120.5(7) . . ?
C25' C24' H24' 119.8 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.7(7) . . ?
C26 C25 H25 120.1 . . ?
C24' C25' H25' 119.6 . . ?
C24' C25' C26' 120.7(7) . . ?
C26' C25' H25' 119.6 . . ?
C25 C26 C18 120.8(6) . . ?
C27 C26 C18 120.5(5) . . ?
C27 C26 C25 118.8(6) . . ?
C18' C26' C27' 118.7(6) . . ?
C25' C26' C18' 122.9(6) . . ?
C25' C26' C27' 118.3(6) . . ?
C21 C27 C22 121.4(7) . . ?
C21 C27 C26 119.5(6) . . ?
C26 C27 C22 119.1(6) . . ?
C22' C27' C21' 122.4(7) . . ?
C22' C27' C26' 119.2(6) . . ?
C26' C27' C21' 118.4(6) . . ?
C29 C28 C28' 123.3(5) . . ?
C29 C28 C33 116.9(6) . . ?
C33 C28 C28' 119.8(6) . . ?
C29' C28' C28 121.8(6) . . ?
C29' C28' C33' 116.6(6) . . ?
C33' C28' C28 121.6(5) . . ?
C28 C29 O3 118.6(5) . . ?
C28 C29 C30 123.4(5) . . ?
C30 C29 O3 117.9(6) . . ?
C28' C29' O4 118.1(5) . . ?
C30' C29' O4 118.1(5) . . ?
C30' C29' C28' 123.8(6) . . ?
C29 C30 C31 116.9(6) . . ?
C29 C30 C34 121.3(5) . . ?
C31 C30 C34 121.8(6) . . ?
C29' C30' C31' 117.5(6) . . ?
C29' C30' C34' 120.8(6) . . ?
C31' C30' C34' 121.7(6) . . ?
C30 C31 H31 119.2 . . ?
C32 C31 C30 121.6(7) . . ?
C32 C31 H31 119.2 . . ?
C30' C31' H31' 119.5 . . ?
C30' C31' C32' 121.0(6) . . ?
C32' C31' H31' 119.5 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.8(6) . . ?
C33 C32 H32 120.1 . . ?
C31' C32' H32' 120.0 . . ?
C33' C32' C31' 119.9(6) . . ?
C33' C32' H32' 120.0 . . ?
C28 C33 H33 119.3 . . ?
C32 C33 C28 121.4(7) . . ?
C32 C33 H33 119.3 . . ?
C28' C33' H33' 119.4 . . ?
C32' C33' C28' 121.3(6) . . ?
C32' C33' H33' 119.4 . . ?
C30 C34 H34A 109.5 . . ?
C30 C34 H34B 109.5 . . ?
C30 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30' C34' H34D 109.5 . . ?
C30' C34' H34E 109.5 . . ?
C30' C34' H34F 109.5 . . ?
H34D C34' H34E 109.5 . . ?
H34D C34' H34F 109.5 . . ?
H34E C34' H34F 109.5 . . ?
Cl3 C35 H35 108.5 . . ?
Cl4 C35 Cl3 110.4(4) . . ?
Cl4 C35 Cl5 110.9(4) . . ?
Cl4 C35 H35 108.5 . . ?
Cl5 C35 Cl3 110.0(4) . . ?
Cl5 C35 H35 108.5 . . ?
Cl6 C36 Cl8 110.1(6) . . ?
Cl6 C36 H36 108.8 . . ?
Cl7 C36 Cl6 112.1(7) . . ?
Cl7 C36 Cl8 108.2(5) . . ?
Cl7 C36 H36 108.8 . . ?
Cl8 C36 H36 108.8 . . ?
Cl9 C37 Cl10 106.1(17) . . ?
Cl9 C37 Cl11 108.0(16) . . ?
Cl9 C37 H37 111.2 . . ?
Cl10 C37 Cl11 109.1(16) . . ?
Cl10 C37 H37 111.2 . . ?
Cl11 C37 H37 111.2 . . ?
Cl12 C38 H38 108.2 . . ?
Cl13 C38 Cl12 110.6(7) . . ?
Cl13 C38 Cl14 111.0(8) . . ?
Cl13 C38 H38 108.2 . . ?
Cl14 C38 Cl12 110.4(7) . . ?
Cl14 C38 H38 108.2 . . ?
Cl15 C39 H39 109.0 . . ?
Cl16 C39 Cl15 109.6(17) . . ?
Cl16 C39 Cl17 113.0(18) . . ?
Cl16 C39 H39 109.0 . . ?
Cl17 C39 Cl15 107.4(18) . . ?
Cl17 C39 H39 109.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pd1 P1 O1 C12 162.8(4) . . . . ?
Pd1 P1 O2 C12' -73.8(4) . . . . ?
Pd1 P1 C2 C1 -142.5(4) . . . . ?
Pd1 P1 C2 C3 42.2(5) . . . . ?
Pd1 P2 O3 C29 159.0(4) . . . . ?
Pd1 P2 O4 C29' -71.3(4) . . . . ?
Pd1 P2 C19 C18 -132.1(5) . . . . ?
Pd1 P2 C19 C20 49.0(5) . . . . ?
P1 O1 C12 C11 -70.3(6) . . . . ?
P1 O1 C12 C13 113.9(5) . . . . ?
P1 O2 C12' C11' -75.8(6) . . . . ?
P1 O2 C12' C13' 107.5(5) . . . . ?
P1 C2 C3 C4 176.2(5) . . . . ?
P2 O3 C29 C28 -70.3(6) . . . . ?
P2 O3 C29 C30 114.0(5) . . . . ?
P2 O4 C29' C28' -74.4(6) . . . . ?
P2 O4 C29' C30' 108.4(5) . . . . ?
P2 C19 C20 C21 178.9(5) . . . . ?
O1 P1 O2 C12' 51.1(4) . . . . ?
O1 P1 C2 C1 91.6(5) . . . . ?
O1 P1 C2 C3 -83.7(4) . . . . ?
O1 C12 C13 C14 175.2(5) . . . . ?
O1 C12 C13 C17 -4.9(9) . . . . ?
O2 P1 O1 C12 39.5(5) . . . . ?
O2 P1 C2 C1 -18.5(6) . . . . ?
O2 P1 C2 C3 166.3(4) . . . . ?
O2 C12' C13' C14' 176.1(5) . . . . ?
O2 C12' C13' C17' -3.5(8) . . . . ?
O3 P2 O4 C29' 54.3(4) . . . . ?
O3 P2 C19 C18 101.1(6) . . . . ?
O3 P2 C19 C20 -77.7(5) . . . . ?
O3 C29 C30 C31 175.3(5) . . . . ?
O3 C29 C30 C34 -4.0(8) . . . . ?
O4 P2 O3 C29 35.4(5) . . . . ?
O4 P2 C19 C18 -8.8(6) . . . . ?
O4 P2 C19 C20 172.3(4) . . . . ?
O4 C29' C30' C31' 178.2(5) . . . . ?
O4 C29' C30' C34' 1.0(8) . . . . ?
C1 C1' C2' C3' -177.9(6) . . . . ?
C1 C1' C9' C8' -3.4(9) . . . . ?
C1 C1' C9' C10' 176.6(5) . . . . ?
C1 C2 C3 C4 0.5(9) . . . . ?
C1 C9 C10 C4 1.8(9) . . . . ?
C1 C9 C10 C5 -177.9(5) . . . . ?
C1' C1 C2 P1 8.2(8) . . . . ?
C1' C1 C2 C3 -176.9(5) . . . . ?
C1' C1 C9 C8 -3.9(8) . . . . ?
C1' C1 C9 C10 175.9(5) . . . . ?
C1' C2' C3' C4' 2.2(10) . . . . ?
C1' C9' C10' C4' 0.7(9) . . . . ?
C1' C9' C10' C5' -178.4(6) . . . . ?
C2 P1 O1 C12 -71.4(5) . . . . ?
C2 P1 O2 C12' 160.8(4) . . . . ?
C2 C1 C1' C2' -94.3(7) . . . . ?
C2 C1 C1' C9' 89.5(7) . . . . ?
C2 C1 C9 C8 178.2(5) . . . . ?
C2 C1 C9 C10 -2.0(8) . . . . ?
C2 C3 C4 C10 -0.7(9) . . . . ?
C2' C1' C9' C8' -179.6(6) . . . . ?
C2' C1' C9' C10' 0.3(8) . . . . ?
C2' C3' C4' C10' -1.1(11) . . . . ?
C3 C4 C10 C5 179.3(6) . . . . ?
C3 C4 C10 C9 -0.5(9) . . . . ?
C3' C4' C10' C5' 178.8(7) . . . . ?
C3' C4' C10' C9' -0.2(11) . . . . ?
C5 C6 C7 C8 0.7(10) . . . . ?
C5' C6' C7' C8' -0.8(12) . . . . ?
C6 C5 C10 C4 179.1(6) . . . . ?
C6 C5 C10 C9 -1.1(9) . . . . ?
C6 C7 C8 C9 0.2(9) . . . . ?
C6' C5' C10' C4' 179.4(8) . . . . ?
C6' C5' C10' C9' -1.6(11) . . . . ?
C6' C7' C8' C9' 0.7(10) . . . . ?
C7 C8 C9 C1 178.4(6) . . . . ?
C7 C8 C9 C10 -1.5(8) . . . . ?
C7' C8' C9' C1' 178.8(6) . . . . ?
C7' C8' C9' C10' -1.1(9) . . . . ?
C8 C9 C10 C4 -178.3(5) . . . . ?
C8 C9 C10 C5 1.9(8) . . . . ?
C8' C9' C10' C4' -179.4(6) . . . . ?
C8' C9' C10' C5' 1.5(9) . . . . ?
C9 C1 C1' C2' 88.0(7) . . . . ?
C9 C1 C1' C9' -88.2(7) . . . . ?
C9 C1 C2 P1 -174.1(4) . . . . ?
C9 C1 C2 C3 0.8(8) . . . . ?
C9' C1' C2' C3' -1.7(9) . . . . ?
C10 C5 C6 C7 -0.2(10) . . . . ?
C10' C5' C6' C7' 1.2(12) . . . . ?
C11 C11' C12' O2 2.2(8) . . . . ?
C11 C11' C12' C13' 178.8(6) . . . . ?
C11 C11' C16' C15' -178.3(6) . . . . ?
C11 C12 C13 C14 -0.3(9) . . . . ?
C11 C12 C13 C17 179.5(6) . . . . ?
C11' C11 C12 O1 3.0(9) . . . . ?
C11' C11 C12 C13 178.4(6) . . . . ?
C11' C11 C16 C15 -178.6(6) . . . . ?
C11' C12' C13' C14' -0.4(9) . . . . ?
C11' C12' C13' C17' -180.0(6) . . . . ?
C12 C11 C11' C12' 45.6(9) . . . . ?
C12 C11 C11' C16' -136.0(6) . . . . ?
C12 C11 C16 C15 0.4(10) . . . . ?
C12 C13 C14 C15 1.3(9) . . . . ?
C12' C11' C16' C15' 0.3(9) . . . . ?
C12' C13' C14' C15' -0.1(9) . . . . ?
C13 C14 C15 C16 -1.5(11) . . . . ?
C13' C14' C15' C16' 0.6(10) . . . . ?
C14 C15 C16 C11 0.6(11) . . . . ?
C14' C15' C16' C11' -0.7(10) . . . . ?
C16 C11 C11' C12' -135.5(6) . . . . ?
C16 C11 C11' C16' 43.0(9) . . . . ?
C16 C11 C12 O1 -176.0(5) . . . . ?
C16 C11 C12 C13 -0.5(9) . . . . ?
C16' C11' C12' O2 -176.3(5) . . . . ?
C16' C11' C12' C13' 0.3(9) . . . . ?
C17 C13 C14 C15 -178.6(7) . . . . ?
C17' C13' C14' C15' 179.6(6) . . . . ?
C18 C18' C19' C20' 175.6(6) . . . . ?
C18 C18' C26' C25' 4.8(9) . . . . ?
C18 C18' C26' C27' -174.0(5) . . . . ?
C18 C19 C20 C21 -0.1(10) . . . . ?
C18 C26 C27 C21 -1.7(9) . . . . ?
C18 C26 C27 C22 177.7(6) . . . . ?
C18' C18 C19 P2 -5.7(9) . . . . ?
C18' C18 C19 C20 173.1(6) . . . . ?
C18' C18 C26 C25 8.5(8) . . . . ?
C18' C18 C26 C27 -172.4(5) . . . . ?
C18' C19' C20' C21' -1.8(11) . . . . ?
C18' C26' C27' C21' -1.4(9) . . . . ?
C18' C26' C27' C22' 178.8(6) . . . . ?
C19 P2 O3 C29 -75.7(5) . . . . ?
C19 P2 O4 C29' 165.0(4) . . . . ?
C19 C18 C18' C19' -87.6(7) . . . . ?
C19 C18 C18' C26' 90.3(7) . . . . ?
C19 C18 C26 C25 -175.3(6) . . . . ?
C19 C18 C26 C27 3.9(8) . . . . ?
C19 C20 C21 C27 2.4(10) . . . . ?
C19' C18' C26' C25' -177.4(6) . . . . ?
C19' C18' C26' C27' 3.8(9) . . . . ?
C19' C20' C21' C27' 4.3(12) . . . . ?
C20 C21 C27 C22 179.1(6) . . . . ?
C20 C21 C27 C26 -1.5(9) . . . . ?
C20' C21' C27' C22' 177.1(8) . . . . ?
C20' C21' C27' C26' -2.6(11) . . . . ?
C22 C23 C24 C25 -2.3(12) . . . . ?
C22' C23' C24' C25' 0.8(12) . . . . ?
C23 C22 C27 C21 -178.8(7) . . . . ?
C23 C22 C27 C26 1.8(10) . . . . ?
C23 C24 C25 C26 0.9(10) . . . . ?
C23' C22' C27' C21' -178.7(7) . . . . ?
C23' C22' C27' C26' 1.0(12) . . . . ?
C23' C24' C25' C26' 0.3(11) . . . . ?
C24 C25 C26 C18 -179.0(6) . . . . ?
C24 C25 C26 C27 1.9(9) . . . . ?
C24' C25' C26' C18' -179.4(6) . . . . ?
C24' C25' C26' C27' -0.6(9) . . . . ?
C25 C26 C27 C21 177.5(5) . . . . ?
C25 C26 C27 C22 -3.2(9) . . . . ?
C25' C26' C27' C21' 179.7(6) . . . . ?
C25' C26' C27' C22' 0.0(10) . . . . ?
C26 C18 C18' C19' 88.4(7) . . . . ?
C26 C18 C18' C26' -93.7(7) . . . . ?
C26 C18 C19 P2 178.2(4) . . . . ?
C26 C18 C19 C20 -3.0(9) . . . . ?
C26' C18' C19' C20' -2.3(9) . . . . ?
C27 C22 C23 C24 0.9(11) . . . . ?
C27' C22' C23' C24' -1.4(12) . . . . ?
C28 C28' C29' O4 -0.4(8) . . . . ?
C28 C28' C29' C30' 176.6(5) . . . . ?
C28 C28' C33' C32' -177.9(5) . . . . ?
C28 C29 C30 C31 -0.1(9) . . . . ?
C28 C29 C30 C34 -179.5(6) . . . . ?
C28' C28 C29 O3 6.5(8) . . . . ?
C28' C28 C29 C30 -178.1(5) . . . . ?
C28' C28 C33 C32 178.0(6) . . . . ?
C28' C29' C30' C31' 1.2(9) . . . . ?
C28' C29' C30' C34' -176.0(6) . . . . ?
C29 C28 C28' C29' 44.1(8) . . . . ?
C29 C28 C28' C33' -139.2(6) . . . . ?
C29 C28 C33 C32 -1.3(9) . . . . ?
C29 C30 C31 C32 -0.9(10) . . . . ?
C29' C28' C33' C32' -1.1(9) . . . . ?
C29' C30' C31' C32' -1.0(9) . . . . ?
C30 C31 C32 C33 0.9(11) . . . . ?
C30' C31' C32' C33' -0.2(9) . . . . ?
C31 C32 C33 C28 0.3(10) . . . . ?
C31' C32' C33' C28' 1.3(9) . . . . ?
C33 C28 C28' C29' -135.2(6) . . . . ?
C33 C28 C28' C33' 41.5(8) . . . . ?
C33 C28 C29 O3 -174.2(5) . . . . ?
C33 C28 C29 C30 1.2(9) . . . . ?
C33' C28' C29' O4 -177.2(5) . . . . ?
C33' C28' C29' C30' -0.2(9) . . . . ?
C34 C30 C31 C32 178.4(7) . . . . ?
C34' C30' C31' C32' 176.2(6) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 0 -1 0.0743 -0.0004 -0.0005 -0.9998 0.0500 0.0083 -0.0150
0 0 1 0.0363 0.0004 0.0005 0.9998 -0.0500 -0.0083 0.0150
0 -1 0 0.1233 0.0003 -1.0002 0.0000 0.0080 0.0074 0.0307
0 1 0 0.1473 -0.0003 1.0002 -0.0000 -0.0080 -0.0074 -0.0307
1 0 -1 0.1000 0.9994 -0.0003 -0.9996 0.0143 0.0634 -0.0189
-1 0 1 0.0690 -0.9994 0.0003 0.9996 -0.0143 -0.0634 0.0189
-1 2 1 0.1129 -1.0000 2.0007 0.9996 -0.0303 -0.0781 -0.0425
1 0 0 0.0979 0.9998 0.0002 0.0001 -0.0357 0.0551 -0.0039
-1 0 0 0.0446 -0.9998 -0.0002 -0.0001 0.0357 -0.0551 0.0039

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ljh140089_2_fa
_database_code_depnum_ccdc_archive 'CCDC 1483136'
_audit_update_record             
;
2016-06-02 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2014-07-21
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2014.06.27 svn.r2953 for OlexSys, GUI svn.r4855)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C68 H50 Cl2 O4 P2 Pd, C H Cl3'
_chemical_formula_sum            'C69 H51 Cl5 O4 P2 Pd'
_chemical_formula_weight         1289.69
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C69 H51 O4 P2 Cl5 Pd1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   11.54920(12)
_cell_length_b                   17.81230(17)
_cell_length_c                   29.1165(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5989.78(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23972
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      66.2740
_cell_measurement_theta_min      2.8580
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.450
_exptl_absorpt_correction_T_max  0.650
_exptl_absorpt_correction_T_min  0.560
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cube
_exptl_crystal_F_000             2632
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            52298
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.000
_diffrn_reflns_theta_max         66.347
_diffrn_reflns_theta_min         2.908
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   16.00  113.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       41.9707   38.0000  -30.0000 97

#__ type_ start__ end____ width___ exp.time_
  2 omega    9.00   74.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       41.9707  -77.0000  120.0000 65

#__ type_ start__ end____ width___ exp.time_
  3 omega  -20.00    6.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       41.9707  -77.0000  120.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega   20.00  114.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000   -4.5865 94

#__ type_ start__ end____ width___ exp.time_
  5 omega   19.00   57.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -30.0000   90.0000 38

#__ type_ start__ end____ width___ exp.time_
  6 omega   21.00   76.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -45.0000  150.0000 55

#__ type_ start__ end____ width___ exp.time_
  7 omega   37.00   69.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -30.0000 -180.0000 32

#__ type_ start__ end____ width___ exp.time_
  8 omega   51.00   79.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -94.0000  -30.0000 28

#__ type_ start__ end____ width___ exp.time_
  9 omega   28.00   54.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -77.0000  -60.0000 26

#__ type_ start__ end____ width___ exp.time_
 10 omega   22.00   50.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -30.0000   30.0000 28

#__ type_ start__ end____ width___ exp.time_
 11 omega   44.00   69.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
 12 omega   81.00  118.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000  -60.0000 37

#__ type_ start__ end____ width___ exp.time_
 13 omega  129.00  168.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   30.0000 -120.0000 39

#__ type_ start__ end____ width___ exp.time_
 14 omega   36.00   71.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000    0.0000 35

#__ type_ start__ end____ width___ exp.time_
 15 omega   34.00   65.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -30.0000    0.0000 31

#__ type_ start__ end____ width___ exp.time_
 16 omega   43.00   68.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000  -30.0000 25

#__ type_ start__ end____ width___ exp.time_
 17 omega   92.00  117.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000    0.0000 25

#__ type_ start__ end____ width___ exp.time_
 18 omega    8.00   52.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -94.0000  120.0000 44

#__ type_ start__ end____ width___ exp.time_
 19 omega   29.00   76.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -45.0000    0.0000 47

#__ type_ start__ end____ width___ exp.time_
 20 omega   83.00  120.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -77.0000  -60.0000 37

#__ type_ start__ end____ width___ exp.time_
 21 omega   93.00  119.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000 -150.0000 26

#__ type_ start__ end____ width___ exp.time_
 22 omega   17.00   43.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -30.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 23 omega   87.00  124.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  125.0000 -180.0000 37

#__ type_ start__ end____ width___ exp.time_
 24 omega  142.00  167.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  125.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
 25 omega   18.00   66.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000  150.0000 48

#__ type_ start__ end____ width___ exp.time_
 26 omega   39.00  108.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -65.0000 -121.2294 69

#__ type_ start__ end____ width___ exp.time_
 27 omega   49.00   97.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   17.0000  -62.3056 48

#__ type_ start__ end____ width___ exp.time_
 28 omega   49.00   82.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -94.0000 -150.0000 33

#__ type_ start__ end____ width___ exp.time_
 29 omega   10.00   35.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -94.0000 -120.0000 25

#__ type_ start__ end____ width___ exp.time_
 30 omega   76.00  115.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   45.0000   30.0000 39

#__ type_ start__ end____ width___ exp.time_
 31 omega   79.00  109.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000  -68.5509 30

#__ type_ start__ end____ width___ exp.time_
 32 omega   33.00   59.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -82.0000 -104.9057 26

#__ type_ start__ end____ width___ exp.time_
 33 omega   14.00   57.00   1.0000   28.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000  -68.5509 43
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0201319000
_diffrn_orient_matrix_UB_12      0.0140529000
_diffrn_orient_matrix_UB_13      0.0515949000
_diffrn_orient_matrix_UB_21      0.1288720000
_diffrn_orient_matrix_UB_22      0.0203070000
_diffrn_orient_matrix_UB_23      0.0058439000
_diffrn_orient_matrix_UB_31      -0.0281085000
_diffrn_orient_matrix_UB_32      0.0828625000
_diffrn_orient_matrix_UB_33      -0.0101645000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage         0.795
_reflns_Friedel_fraction_full    0.973
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                10029
_reflns_number_total             10465
_reflns_odcompleteness_completeness 99.46
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2008)'
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.051
_refine_ls_abs_structure_details 
;
 Flack x determined using 4318 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.024(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     734
_refine_ls_number_reflns         10465
_refine_ls_number_restraints     702
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0266
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0329P)²+2.0678P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0643
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Ternary CH refined with riding coordinates:
 C35(H35)
3.b Aromatic/amide H refined with riding coordinates:
 C2'(H2'), C3(H3), C3'(H3'), C4(H4), C4'(H4'), C5(H5), C5'(H5'), C6(H6),
 C6'(H6'), C7(H7), C7'(H7'), C8(H8), C8'(H8'), C14(H14), C14'(H14'), C15(H15),
 C15'(H15'), C16(H16), C16'(H16'), C19'(H19'), C20(H20), C20'(H20'), C21(H21),
 C21'(H21'), C22(H22), C22'(H22'), C23(H23), C23'(H23'), C24(H24), C24'(H24'),
 C25(H25), C25'(H25'), C31(H31), C31'(H31'), C32(H32), C32'(H32'), C33(H33),
 C33'(H33')
3.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C17'(H17D,H17E,H17F), C34(H34A,H34B,H34C), C34'(H34D,
 H34E,H34F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.57241(2) 0.54218(2) 0.70105(2) 0.02328(7) Uani 1 1 d . . . . .
Cl1 Cl 0.51275(9) 0.56518(5) 0.77659(3) 0.0375(2) Uani 1 1 d . . . . .
Cl2 Cl 0.39739(8) 0.58972(6) 0.67386(3) 0.0381(2) Uani 1 1 d . . . . .
Cl3 Cl 0.49768(14) 0.42572(9) 0.90768(6) 0.0732(4) Uani 1 1 d . . . . .
Cl4 Cl 0.3395(2) 0.54690(12) 0.91857(8) 0.1121(7) Uani 1 1 d . . . . .
Cl5 Cl 0.2901(2) 0.43144(14) 0.85364(8) 0.1185(8) Uani 1 1 d . . . . .
P1 P 0.60293(8) 0.51053(5) 0.62818(3) 0.02538(19) Uani 1 1 d . . . . .
P2 P 0.74314(8) 0.51399(5) 0.73242(3) 0.02618(19) Uani 1 1 d . . . . .
O1 O 0.7333(2) 0.48858(14) 0.61548(9) 0.0297(5) Uani 1 1 d . . . . .
O2 O 0.5299(2) 0.43733(13) 0.61552(9) 0.0301(5) Uani 1 1 d . . . . .
O3 O 0.8365(2) 0.47731(14) 0.69860(10) 0.0330(5) Uani 1 1 d . . . . .
O4 O 0.8045(2) 0.58942(14) 0.74942(9) 0.0290(5) Uani 1 1 d . . . . .
C1 C 0.4923(4) 0.5686(2) 0.54785(13) 0.0313(8) Uani 1 1 d . . . . .
C1' C 0.4470(4) 0.4940(2) 0.53262(14) 0.0403(10) Uani 1 1 d . . . . .
C2 C 0.5593(3) 0.57983(19) 0.58628(12) 0.0282(7) Uani 1 1 d . . . . .
C2' C 0.5150(5) 0.4516(3) 0.50311(15) 0.0510(11) Uani 1 1 d . . . . .
H2' H 0.5881 0.4687 0.4947 0.061 Uiso 1 1 calc R . . . .
C3 C 0.6048(3) 0.6521(2) 0.59679(13) 0.0313(8) Uani 1 1 d . . . . .
H3 H 0.6489 0.6587 0.6232 0.038 Uiso 1 1 calc R . . . .
C3' C 0.4737(7) 0.3828(3) 0.4858(2) 0.0743(17) Uani 1 1 d . . . . .
H3' H 0.5200 0.3540 0.4665 0.089 Uiso 1 1 calc R . . . .
C4 C 0.5847(4) 0.7113(2) 0.56872(13) 0.0335(8) Uani 1 1 d . . . . .
H4 H 0.6170 0.7577 0.5756 0.040 Uiso 1 1 calc R . . . .
C4' C 0.3684(7) 0.3593(3) 0.4971(2) 0.0758(17) Uani 1 1 d . . . . .
H4' H 0.3424 0.3140 0.4850 0.091 Uiso 1 1 calc R . . . .
C5 C 0.4947(5) 0.7633(2) 0.49833(16) 0.0482(11) Uani 1 1 d . . . . .
H5 H 0.5260 0.8104 0.5045 0.058 Uiso 1 1 calc R . . . .
C5' C 0.1828(6) 0.3769(4) 0.5389(3) 0.0821(19) Uani 1 1 d . . . . .
H5' H 0.1545 0.3323 0.5266 0.098 Uiso 1 1 calc R . . . .
C6 C 0.4301(6) 0.7533(3) 0.45988(16) 0.0568(12) Uani 1 1 d . . . . .
H6 H 0.4199 0.7931 0.4396 0.068 Uiso 1 1 calc R . . . .
C6' C 0.1146(5) 0.4163(4) 0.5675(3) 0.0804(19) Uani 1 1 d . . . . .
H6' H 0.0410 0.3988 0.5748 0.096 Uiso 1 1 calc R . . . .
C7 C 0.3789(5) 0.6841(3) 0.45040(17) 0.0545(12) Uani 1 1 d . . . . .
H7 H 0.3323 0.6787 0.4246 0.065 Uiso 1 1 calc R . . . .
C7' C 0.1555(5) 0.4851(4) 0.5865(3) 0.0781(18) Uani 1 1 d . . . . .
H7' H 0.1089 0.5120 0.6067 0.094 Uiso 1 1 calc R . . . .
C8 C 0.3970(4) 0.6244(3) 0.47896(15) 0.0434(10) Uani 1 1 d . . . . .
H8 H 0.3631 0.5783 0.4722 0.052 Uiso 1 1 calc R . . . .
C8' C 0.2632(4) 0.5117(3) 0.57531(19) 0.0571(12) Uani 1 1 d . . . . .
H8' H 0.2892 0.5569 0.5875 0.069 Uiso 1 1 calc R . . . .
C9 C 0.4667(4) 0.6316(2) 0.51885(14) 0.0348(8) Uani 1 1 d . . . . .
C9' C 0.3345(4) 0.4702(3) 0.54507(17) 0.0471(11) Uani 1 1 d . . . . .
C10 C 0.5155(4) 0.7033(2) 0.52925(14) 0.0342(8) Uani 1 1 d . . . . .
C10' C 0.2936(6) 0.3999(3) 0.5268(2) 0.0662(14) Uani 1 1 d . . . . .
C11 C 0.7250(4) 0.3723(2) 0.57360(16) 0.0443(10) Uani 1 1 d . . . . .
C11' C 0.6634(4) 0.3347(2) 0.61174(15) 0.0377(9) Uani 1 1 d . . . . .
C12 C 0.7578(4) 0.4473(2) 0.57523(13) 0.0362(9) Uani 1 1 d . . . . .
C12' C 0.5692(4) 0.36755(18) 0.63268(12) 0.0307(7) Uani 1 1 d . . . . .
C13 C 0.8193(4) 0.4824(3) 0.54026(16) 0.0467(11) Uani 1 1 d . . . . .
C13' C 0.5055(4) 0.3338(2) 0.66787(14) 0.0340(8) Uani 1 1 d . . . . .
C14 C 0.8457(6) 0.4393(3) 0.50185(18) 0.0653(16) Uani 1 1 d . . . . .
H14 H 0.8866 0.4610 0.4778 0.078 Uiso 1 1 calc R . . . .
C14' C 0.5433(4) 0.2636(2) 0.68263(15) 0.0386(9) Uani 1 1 d . . . . .
H14' H 0.5044 0.2396 0.7064 0.046 Uiso 1 1 calc R . . . .
C15 C 0.8128(7) 0.3655(4) 0.4986(2) 0.082(2) Uani 1 1 d . . . . .
H15 H 0.8309 0.3380 0.4725 0.098 Uiso 1 1 calc R . . . .
C15' C 0.6375(4) 0.2288(2) 0.66256(18) 0.0445(10) Uani 1 1 d . . . . .
H15' H 0.6612 0.1819 0.6729 0.053 Uiso 1 1 calc R . . . .
C16 C 0.7533(6) 0.3321(3) 0.53401(19) 0.0663(16) Uani 1 1 d . . . . .
H16 H 0.7315 0.2820 0.5315 0.080 Uiso 1 1 calc R . . . .
C16' C 0.6965(4) 0.2634(2) 0.62739(18) 0.0453(11) Uani 1 1 d . . . . .
H16' H 0.7590 0.2392 0.6138 0.054 Uiso 1 1 calc R . . . .
C17 C 0.8574(5) 0.5620(3) 0.54416(18) 0.0504(12) Uani 1 1 d . . . . .
H17A H 0.7929 0.5947 0.5385 0.076 Uiso 1 1 calc GR . . . .
H17B H 0.9172 0.5718 0.5220 0.076 Uiso 1 1 calc GR . . . .
H17C H 0.8869 0.5710 0.5745 0.076 Uiso 1 1 calc GR . . . .
C17' C 0.4017(4) 0.3712(2) 0.68789(16) 0.0422(10) Uani 1 1 d . . . . .
H17D H 0.4253 0.4038 0.7124 0.063 Uiso 1 1 calc GR . . . .
H17E H 0.3496 0.3338 0.6996 0.063 Uiso 1 1 calc GR . . . .
H17F H 0.3634 0.4001 0.6646 0.063 Uiso 1 1 calc GR . . . .
C18 C 0.7924(3) 0.4600(2) 0.82347(12) 0.0276(7) Uani 1 1 d . . . . .
C18' C 0.8681(3) 0.5259(2) 0.83516(13) 0.0317(8) Uani 1 1 d . . . . .
C19 C 0.7372(3) 0.4526(2) 0.78162(12) 0.0289(7) Uani 1 1 d . . . . .
C19' C 0.9850(4) 0.5214(3) 0.82744(16) 0.0432(10) Uani 1 1 d . . . . .
H19' H 1.0168 0.4768 0.8165 0.052 Uiso 1 1 calc R . . . .
C20 C 0.6709(4) 0.3870(2) 0.77167(14) 0.0343(8) Uani 1 1 d . . . . .
H20 H 0.6340 0.3828 0.7434 0.041 Uiso 1 1 calc R . . . .
C20' C 1.0576(4) 0.5839(3) 0.83593(18) 0.0555(12) Uani 1 1 d . . . . .
H20' H 1.1370 0.5799 0.8312 0.067 Uiso 1 1 calc R . . . .
C21 C 0.6609(4) 0.3306(2) 0.80275(16) 0.0366(8) Uani 1 1 d . . . . .
H21 H 0.6189 0.2877 0.7952 0.044 Uiso 1 1 calc R . . . .
C21' C 1.0122(5) 0.6489(3) 0.8508(2) 0.0588(13) Uani 1 1 d . . . . .
H21' H 1.0607 0.6900 0.8548 0.071 Uiso 1 1 calc R . . . .
C22 C 0.7005(4) 0.2788(2) 0.87972(16) 0.0389(9) Uani 1 1 d . . . . .
H22 H 0.6603 0.2351 0.8725 0.047 Uiso 1 1 calc R . . . .
C22' C 0.8428(6) 0.7241(3) 0.8765(2) 0.0609(14) Uani 1 1 d . . . . .
H22' H 0.8896 0.7660 0.8812 0.073 Uiso 1 1 calc R . . . .
C23 C 0.7467(4) 0.2873(3) 0.92230(16) 0.0465(11) Uani 1 1 d . . . . .
H23 H 0.7373 0.2496 0.9441 0.056 Uiso 1 1 calc R . . . .
C23' C 0.7290(6) 0.7291(3) 0.88524(19) 0.0618(14) Uani 1 1 d . . . . .
H23' H 0.6979 0.7744 0.8952 0.074 Uiso 1 1 calc R . . . .
C24 C 0.8086(4) 0.3528(3) 0.93370(16) 0.0455(10) Uani 1 1 d . . . . .
H24 H 0.8381 0.3585 0.9632 0.055 Uiso 1 1 calc R . . . .
C24' C 0.6564(5) 0.6667(3) 0.87958(17) 0.0521(12) Uani 1 1 d . . . . .
H24' H 0.5779 0.6705 0.8863 0.062 Uiso 1 1 calc R . . . .
C25 C 0.8258(4) 0.4079(3) 0.90193(14) 0.0379(9) Uani 1 1 d . . . . .
H25 H 0.8692 0.4500 0.9097 0.045 Uiso 1 1 calc R . . . .
C25' C 0.7011(4) 0.6002(2) 0.86412(14) 0.0376(9) Uani 1 1 d . . . . .
H25' H 0.6525 0.5589 0.8607 0.045 Uiso 1 1 calc R . . . .
C26 C 0.7783(3) 0.4016(2) 0.85709(13) 0.0285(7) Uani 1 1 d . . . . .
C26' C 0.8193(4) 0.5931(2) 0.85328(13) 0.0337(9) Uani 1 1 d . . . . .
C27 C 0.7131(3) 0.3361(2) 0.84611(13) 0.0316(8) Uani 1 1 d . . . . .
C27' C 0.8934(4) 0.6566(3) 0.86033(15) 0.0462(10) Uani 1 1 d . . . . .
C28 C 1.0186(3) 0.5392(3) 0.71276(13) 0.0388(9) Uani 1 1 d . . . . .
C28' C 0.9681(3) 0.6133(2) 0.70039(16) 0.0377(8) Uani 1 1 d . . . . .
C29 C 0.9545(3) 0.4736(2) 0.71209(13) 0.0363(9) Uani 1 1 d . . . . .
C29' C 0.8611(3) 0.6357(2) 0.71718(13) 0.0309(8) Uani 1 1 d . . . . .
C30 C 1.0007(4) 0.4025(3) 0.72129(16) 0.0434(10) Uani 1 1 d . . . . .
C30' C 0.8106(4) 0.7046(2) 0.70666(14) 0.0347(8) Uani 1 1 d . . . . .
C31 C 1.1180(4) 0.4012(3) 0.73282(18) 0.0514(12) Uani 1 1 d . . . . .
H31 H 1.1529 0.3554 0.7392 0.062 Uiso 1 1 calc R . . . .
C31' C 0.8737(4) 0.7518(3) 0.67815(16) 0.0440(10) Uani 1 1 d . . . . .
H31' H 0.8428 0.7982 0.6701 0.053 Uiso 1 1 calc R . . . .
C32 C 1.1842(4) 0.4659(3) 0.73507(18) 0.0547(12) Uani 1 1 d . . . . .
H32 H 1.2616 0.4631 0.7436 0.066 Uiso 1 1 calc R . . . .
C32' C 0.9815(5) 0.7318(3) 0.66129(17) 0.0493(11) Uani 1 1 d . . . . .
H32' H 1.0220 0.7647 0.6424 0.059 Uiso 1 1 calc R . . . .
C33 C 1.1356(4) 0.5342(3) 0.72473(17) 0.0486(11) Uani 1 1 d . . . . .
H33 H 1.1808 0.5774 0.7257 0.058 Uiso 1 1 calc R . . . .
C33' C 1.0284(4) 0.6635(3) 0.67242(17) 0.0474(11) Uani 1 1 d . . . . .
H33' H 1.1011 0.6505 0.6612 0.057 Uiso 1 1 calc R . . . .
C34 C 0.9304(5) 0.3325(3) 0.7182(2) 0.0580(12) Uani 1 1 d . . . . .
H34A H 0.8877 0.3257 0.7462 0.087 Uiso 1 1 calc GR . . . .
H34B H 0.9807 0.2903 0.7135 0.087 Uiso 1 1 calc GR . . . .
H34C H 0.8774 0.3364 0.6929 0.087 Uiso 1 1 calc GR . . . .
C34' C 0.6964(4) 0.7265(2) 0.72645(16) 0.0403(9) Uani 1 1 d . . . . .
H34D H 0.6369 0.6950 0.7139 0.061 Uiso 1 1 calc GR . . . .
H34E H 0.6803 0.7780 0.7190 0.061 Uiso 1 1 calc GR . . . .
H34F H 0.6985 0.7207 0.7592 0.061 Uiso 1 1 calc GR . . . .
C35 C 0.3984(5) 0.4833(3) 0.87956(17) 0.0524(12) Uani 1 1 d . . . . .
H35 H 0.4395 0.5115 0.8557 0.063 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 Cl1 2.3411(9) . ?
Pd1 Cl2 2.3302(9) . ?
Pd1 P1 2.2234(9) . ?
Pd1 P2 2.2302(10) . ?
Cl3 C35 1.742(5) . ?
Cl4 C35 1.743(5) . ?
Cl5 C35 1.728(5) . ?
P1 O1 1.598(3) . ?
P1 O2 1.596(3) . ?
P1 C2 1.807(4) . ?
P2 O3 1.599(3) . ?
P2 O4 1.597(3) . ?
P2 C19 1.803(4) . ?
O1 C12 1.413(5) . ?
O2 C12' 1.415(4) . ?
O3 C29 1.421(5) . ?
O4 C29' 1.410(5) . ?
C1 C1' 1.495(6) . ?
C1 C2 1.375(5) . ?
C1 C9 1.435(6) . ?
C1' C2' 1.388(7) . ?
C1' C9' 1.413(7) . ?
C2 C3 1.423(5) . ?
C2' H2' 0.9300 . ?
C2' C3' 1.408(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.354(5) . ?
C3' H3' 0.9300 . ?
C3' C4' 1.328(11) . ?
C4 H4 0.9300 . ?
C4 C10 1.407(6) . ?
C4' H4' 0.9300 . ?
C4' C10' 1.420(10) . ?
C5 H5 0.9300 . ?
C5 C6 1.357(7) . ?
C5 C10 1.419(6) . ?
C5' H5' 0.9300 . ?
C5' C6' 1.345(11) . ?
C5' C10' 1.388(10) . ?
C6 H6 0.9300 . ?
C6 C7 1.395(8) . ?
C6' H6' 0.9300 . ?
C6' C7' 1.424(10) . ?
C7 H7 0.9300 . ?
C7 C8 1.367(6) . ?
C7' H7' 0.9300 . ?
C7' C8' 1.370(8) . ?
C8 H8 0.9300 . ?
C8 C9 1.419(6) . ?
C8' H8' 0.9300 . ?
C8' C9' 1.414(8) . ?
C9 C10 1.428(6) . ?
C9' C10' 1.440(7) . ?
C11 C11' 1.479(6) . ?
C11 C12 1.390(6) . ?
C11 C16 1.396(7) . ?
C11' C12' 1.378(6) . ?
C11' C16' 1.402(6) . ?
C12 C13 1.390(6) . ?
C12' C13' 1.397(6) . ?
C13 C14 1.391(7) . ?
C13 C17 1.490(7) . ?
C13' C14' 1.393(6) . ?
C13' C17' 1.490(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.371(9) . ?
C14' H14' 0.9300 . ?
C14' C15' 1.381(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.373(8) . ?
C15' H15' 0.9300 . ?
C15' C16' 1.375(7) . ?
C16 H16 0.9300 . ?
C16' H16' 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17' H17D 0.9600 . ?
C17' H17E 0.9600 . ?
C17' H17F 0.9600 . ?
C18 C18' 1.503(5) . ?
C18 C19 1.381(5) . ?
C18 C26 1.438(5) . ?
C18' C19' 1.370(6) . ?
C18' C26' 1.425(6) . ?
C19 C20 1.427(6) . ?
C19' H19' 0.9300 . ?
C19' C20' 1.416(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.358(6) . ?
C20' H20' 0.9300 . ?
C20' C21' 1.342(8) . ?
C21 H21 0.9300 . ?
C21 C27 1.402(6) . ?
C21' H21' 0.9300 . ?
C21' C27' 1.407(8) . ?
C22 H22 0.9300 . ?
C22 C23 1.358(7) . ?
C22 C27 1.421(6) . ?
C22' H22' 0.9300 . ?
C22' C23' 1.342(9) . ?
C22' C27' 1.418(8) . ?
C23 H23 0.9300 . ?
C23 C24 1.409(7) . ?
C23' H23' 0.9300 . ?
C23' C24' 1.401(8) . ?
C24 H24 0.9300 . ?
C24 C25 1.363(6) . ?
C24' H24' 0.9300 . ?
C24' C25' 1.369(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.421(6) . ?
C25' H25' 0.9300 . ?
C25' C26' 1.406(7) . ?
C26 C27 1.425(6) . ?
C26' C27' 1.433(6) . ?
C28 C28' 1.488(6) . ?
C28 C29 1.383(6) . ?
C28 C33 1.398(6) . ?
C28' C29' 1.387(6) . ?
C28' C33' 1.396(6) . ?
C29 C30 1.400(6) . ?
C29' C30' 1.393(6) . ?
C30 C31 1.396(7) . ?
C30 C34 1.491(7) . ?
C30' C31' 1.388(6) . ?
C30' C34' 1.492(6) . ?
C31 H31 0.9300 . ?
C31 C32 1.384(8) . ?
C31' H31' 0.9300 . ?
C31' C32' 1.384(7) . ?
C32 H32 0.9300 . ?
C32 C33 1.373(7) . ?
C32' H32' 0.9300 . ?
C32' C33' 1.370(7) . ?
C33 H33 0.9300 . ?
C33' H33' 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C34' H34D 0.9600 . ?
C34' H34E 0.9600 . ?
C34' H34F 0.9600 . ?
C35 H35 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Pd1 Cl1 90.01(3) . . ?
P1 Pd1 Cl1 170.96(4) . . ?
P1 Pd1 Cl2 84.57(4) . . ?
P1 Pd1 P2 101.16(3) . . ?
P2 Pd1 Cl1 85.12(3) . . ?
P2 Pd1 Cl2 171.07(4) . . ?
O1 P1 Pd1 115.59(10) . . ?
O1 P1 C2 105.87(16) . . ?
O2 P1 Pd1 110.11(10) . . ?
O2 P1 O1 104.15(14) . . ?
O2 P1 C2 104.76(16) . . ?
C2 P1 Pd1 115.26(12) . . ?
O3 P2 Pd1 115.82(11) . . ?
O3 P2 C19 105.49(16) . . ?
O4 P2 Pd1 109.24(10) . . ?
O4 P2 O3 103.63(14) . . ?
O4 P2 C19 106.27(16) . . ?
C19 P2 Pd1 115.36(13) . . ?
C12 O1 P1 120.5(3) . . ?
C12' O2 P1 117.8(2) . . ?
C29 O3 P2 119.7(2) . . ?
C29' O4 P2 119.4(2) . . ?
C2 C1 C1' 124.6(3) . . ?
C2 C1 C9 118.7(3) . . ?
C9 C1 C1' 116.6(3) . . ?
C2' C1' C1 117.9(4) . . ?
C2' C1' C9' 121.0(4) . . ?
C9' C1' C1 120.8(4) . . ?
C1 C2 P1 127.3(3) . . ?
C1 C2 C3 121.0(3) . . ?
C3 C2 P1 111.7(3) . . ?
C1' C2' H2' 119.9 . . ?
C1' C2' C3' 120.2(6) . . ?
C3' C2' H2' 119.9 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.7(4) . . ?
C4 C3 H3 119.6 . . ?
C2' C3' H3' 120.1 . . ?
C4' C3' C2' 119.7(6) . . ?
C4' C3' H3' 120.1 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C10 120.8(4) . . ?
C10 C4 H4 119.6 . . ?
C3' C4' H4' 118.4 . . ?
C3' C4' C10' 123.3(5) . . ?
C10' C4' H4' 118.4 . . ?
C6 C5 H5 119.4 . . ?
C6 C5 C10 121.2(5) . . ?
C10 C5 H5 119.4 . . ?
C6' C5' H5' 118.6 . . ?
C6' C5' C10' 122.8(6) . . ?
C10' C5' H5' 118.6 . . ?
C5 C6 H6 119.6 . . ?
C5 C6 C7 120.8(4) . . ?
C7 C6 H6 119.6 . . ?
C5' C6' H6' 120.1 . . ?
C5' C6' C7' 119.7(6) . . ?
C7' C6' H6' 120.1 . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(5) . . ?
C8 C7 H7 119.9 . . ?
C6' C7' H7' 119.8 . . ?
C8' C7' C6' 120.4(7) . . ?
C8' C7' H7' 119.8 . . ?
C7 C8 H8 119.5 . . ?
C7 C8 C9 120.9(5) . . ?
C9 C8 H8 119.5 . . ?
C7' C8' H8' 120.1 . . ?
C7' C8' C9' 119.7(6) . . ?
C9' C8' H8' 120.1 . . ?
C8 C9 C1 121.8(4) . . ?
C8 C9 C10 118.6(4) . . ?
C10 C9 C1 119.5(4) . . ?
C1' C9' C8' 122.5(4) . . ?
C1' C9' C10' 117.9(5) . . ?
C8' C9' C10' 119.5(5) . . ?
C4 C10 C5 122.5(4) . . ?
C4 C10 C9 119.2(3) . . ?
C5 C10 C9 118.2(4) . . ?
C4' C10' C9' 117.8(6) . . ?
C5' C10' C4' 124.4(6) . . ?
C5' C10' C9' 117.8(7) . . ?
C12 C11 C11' 122.7(4) . . ?
C12 C11 C16 117.2(4) . . ?
C16 C11 C11' 120.0(4) . . ?
C12' C11' C11 121.3(4) . . ?
C12' C11' C16' 117.1(4) . . ?
C16' C11' C11 121.5(4) . . ?
C11 C12 O1 118.3(3) . . ?
C11 C12 C13 123.2(4) . . ?
C13 C12 O1 118.4(4) . . ?
C11' C12' O2 118.1(3) . . ?
C11' C12' C13' 123.9(3) . . ?
C13' C12' O2 117.9(4) . . ?
C12 C13 C14 116.9(4) . . ?
C12 C13 C17 121.6(4) . . ?
C14 C13 C17 121.5(4) . . ?
C12' C13' C17' 121.2(3) . . ?
C14' C13' C12' 116.5(4) . . ?
C14' C13' C17' 122.2(4) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 C13 121.6(5) . . ?
C15 C14 H14 119.2 . . ?
C13' C14' H14' 119.4 . . ?
C15' C14' C13' 121.3(4) . . ?
C15' C14' H14' 119.4 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(5) . . ?
C16 C15 H15 119.9 . . ?
C14' C15' H15' 119.9 . . ?
C16' C15' C14' 120.3(4) . . ?
C16' C15' H15' 119.9 . . ?
C11 C16 H16 119.5 . . ?
C15 C16 C11 120.9(5) . . ?
C15 C16 H16 119.5 . . ?
C11' C16' H16' 119.6 . . ?
C15' C16' C11' 120.9(4) . . ?
C15' C16' H16' 119.6 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13' C17' H17D 109.5 . . ?
C13' C17' H17E 109.5 . . ?
C13' C17' H17F 109.5 . . ?
H17D C17' H17E 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
C19 C18 C18' 122.8(3) . . ?
C19 C18 C26 118.7(3) . . ?
C26 C18 C18' 118.5(3) . . ?
C19' C18' C18 119.3(4) . . ?
C19' C18' C26' 120.0(4) . . ?
C26' C18' C18 120.6(3) . . ?
C18 C19 P2 128.8(3) . . ?
C18 C19 C20 120.3(3) . . ?
C20 C19 P2 110.8(3) . . ?
C18' C19' H19' 119.7 . . ?
C18' C19' C20' 120.5(5) . . ?
C20' C19' H19' 119.7 . . ?
C19 C20 H20 119.4 . . ?
C21 C20 C19 121.2(4) . . ?
C21 C20 H20 119.4 . . ?
C19' C20' H20' 119.9 . . ?
C21' C20' C19' 120.2(5) . . ?
C21' C20' H20' 119.9 . . ?
C20 C21 H21 119.6 . . ?
C20 C21 C27 120.7(4) . . ?
C27 C21 H21 119.6 . . ?
C20' C21' H21' 119.0 . . ?
C20' C21' C27' 121.9(5) . . ?
C27' C21' H21' 119.0 . . ?
C23 C22 H22 119.7 . . ?
C23 C22 C27 120.6(4) . . ?
C27 C22 H22 119.7 . . ?
C23' C22' H22' 119.3 . . ?
C23' C22' C27' 121.4(5) . . ?
C27' C22' H22' 119.3 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.5(4) . . ?
C24 C23 H23 119.8 . . ?
C22' C23' H23' 119.6 . . ?
C22' C23' C24' 120.8(5) . . ?
C24' C23' H23' 119.6 . . ?
C23 C24 H24 119.7 . . ?
C25 C24 C23 120.7(4) . . ?
C25 C24 H24 119.7 . . ?
C23' C24' H24' 120.0 . . ?
C25' C24' C23' 120.0(5) . . ?
C25' C24' H24' 120.0 . . ?
C24 C25 H25 119.6 . . ?
C24 C25 C26 120.7(4) . . ?
C26 C25 H25 119.6 . . ?
C24' C25' H25' 119.4 . . ?
C24' C25' C26' 121.1(4) . . ?
C26' C25' H25' 119.4 . . ?
C25 C26 C18 121.7(4) . . ?
C25 C26 C27 118.4(3) . . ?
C27 C26 C18 120.0(3) . . ?
C18' C26' C27' 118.6(4) . . ?
C25' C26' C18' 122.9(4) . . ?
C25' C26' C27' 118.5(4) . . ?
C21 C27 C22 121.7(4) . . ?
C21 C27 C26 119.1(3) . . ?
C22 C27 C26 119.2(4) . . ?
C21' C27' C22' 123.4(5) . . ?
C21' C27' C26' 118.5(5) . . ?
C22' C27' C26' 118.1(5) . . ?
C29 C28 C28' 122.4(4) . . ?
C29 C28 C33 117.8(4) . . ?
C33 C28 C28' 119.8(4) . . ?
C29' C28' C28 121.3(4) . . ?
C29' C28' C33' 117.7(4) . . ?
C33' C28' C28 120.9(4) . . ?
C28 C29 O3 118.6(3) . . ?
C28 C29 C30 123.9(4) . . ?
C30 C29 O3 117.4(4) . . ?
C28' C29' O4 118.6(3) . . ?
C28' C29' C30' 123.3(4) . . ?
C30' C29' O4 117.9(3) . . ?
C29 C30 C34 122.5(4) . . ?
C31 C30 C29 115.5(5) . . ?
C31 C30 C34 122.0(4) . . ?
C29' C30' C34' 121.0(4) . . ?
C31' C30' C29' 116.4(4) . . ?
C31' C30' C34' 122.5(4) . . ?
C30 C31 H31 118.9 . . ?
C32 C31 C30 122.3(4) . . ?
C32 C31 H31 118.9 . . ?
C30' C31' H31' 119.1 . . ?
C32' C31' C30' 121.9(4) . . ?
C32' C31' H31' 119.1 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.1(4) . . ?
C33 C32 H32 120.0 . . ?
C31' C32' H32' 120.0 . . ?
C33' C32' C31' 120.0(4) . . ?
C33' C32' H32' 120.0 . . ?
C28 C33 H33 119.8 . . ?
C32 C33 C28 120.4(5) . . ?
C32 C33 H33 119.8 . . ?
C28' C33' H33' 119.7 . . ?
C32' C33' C28' 120.6(4) . . ?
C32' C33' H33' 119.7 . . ?
C30 C34 H34A 109.5 . . ?
C30 C34 H34B 109.5 . . ?
C30 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30' C34' H34D 109.5 . . ?
C30' C34' H34E 109.5 . . ?
C30' C34' H34F 109.5 . . ?
H34D C34' H34E 109.5 . . ?
H34D C34' H34F 109.5 . . ?
H34E C34' H34F 109.5 . . ?
Cl3 C35 Cl4 109.5(3) . . ?
Cl3 C35 H35 108.4 . . ?
Cl4 C35 H35 108.4 . . ?
Cl5 C35 Cl3 111.6(3) . . ?
Cl5 C35 Cl4 110.5(3) . . ?
Cl5 C35 H35 108.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pd1 P1 O1 C12 161.4(2) . . . . ?
Pd1 P1 O2 C12' -74.4(3) . . . . ?
Pd1 P1 C2 C1 -130.3(3) . . . . ?
Pd1 P1 C2 C3 50.6(3) . . . . ?
Pd1 P2 O3 C29 165.3(2) . . . . ?
Pd1 P2 O4 C29' -79.1(3) . . . . ?
Pd1 P2 C19 C18 -132.9(3) . . . . ?
Pd1 P2 C19 C20 51.5(3) . . . . ?
P1 O1 C12 C11 -70.4(5) . . . . ?
P1 O1 C12 C13 113.2(4) . . . . ?
P1 O2 C12' C11' -76.1(4) . . . . ?
P1 O2 C12' C13' 108.0(4) . . . . ?
P1 C2 C3 C4 178.1(3) . . . . ?
P2 O3 C29 C28 -72.4(4) . . . . ?
P2 O3 C29 C30 111.3(4) . . . . ?
P2 O4 C29' C28' -75.5(4) . . . . ?
P2 O4 C29' C30' 109.6(3) . . . . ?
P2 C19 C20 C21 175.8(3) . . . . ?
O1 P1 O2 C12' 50.1(3) . . . . ?
O1 P1 C2 C1 100.6(4) . . . . ?
O1 P1 C2 C3 -78.5(3) . . . . ?
O1 C12 C13 C14 177.7(5) . . . . ?
O1 C12 C13 C17 -1.0(7) . . . . ?
O2 P1 O1 C12 40.5(3) . . . . ?
O2 P1 C2 C1 -9.2(4) . . . . ?
O2 P1 C2 C3 171.8(3) . . . . ?
O2 C12' C13' C14' 177.2(3) . . . . ?
O2 C12' C13' C17' -2.1(5) . . . . ?
O3 P2 O4 C29' 45.0(3) . . . . ?
O3 P2 C19 C18 98.0(4) . . . . ?
O3 P2 C19 C20 -77.6(3) . . . . ?
O3 C29 C30 C31 177.8(4) . . . . ?
O3 C29 C30 C34 -1.1(6) . . . . ?
O4 P2 O3 C29 45.7(3) . . . . ?
O4 P2 C19 C18 -11.6(4) . . . . ?
O4 P2 C19 C20 172.8(3) . . . . ?
O4 C29' C30' C31' 174.2(4) . . . . ?
O4 C29' C30' C34' -4.0(6) . . . . ?
C1 C1' C2' C3' -176.6(5) . . . . ?
C1 C1' C9' C8' -5.4(6) . . . . ?
C1 C1' C9' C10' 176.1(4) . . . . ?
C1 C2 C3 C4 -1.1(6) . . . . ?
C1 C9 C10 C4 -2.2(6) . . . . ?
C1 C9 C10 C5 176.0(4) . . . . ?
C1' C1 C2 P1 -2.9(6) . . . . ?
C1' C1 C2 C3 176.1(4) . . . . ?
C1' C1 C9 C8 3.1(6) . . . . ?
C1' C1 C9 C10 -174.7(4) . . . . ?
C1' C2' C3' C4' 1.3(9) . . . . ?
C1' C9' C10' C4' -0.6(7) . . . . ?
C1' C9' C10' C5' -179.6(5) . . . . ?
C2 P1 O1 C12 -69.7(3) . . . . ?
C2 P1 O2 C12' 161.1(3) . . . . ?
C2 C1 C1' C2' -89.9(5) . . . . ?
C2 C1 C1' C9' 94.9(5) . . . . ?
C2 C1 C9 C8 -179.2(4) . . . . ?
C2 C1 C9 C10 3.0(6) . . . . ?
C2 C3 C4 C10 1.9(6) . . . . ?
C2' C1' C9' C8' 179.5(4) . . . . ?
C2' C1' C9' C10' 1.1(6) . . . . ?
C2' C3' C4' C10' -0.8(10) . . . . ?
C3 C4 C10 C5 -178.3(4) . . . . ?
C3 C4 C10 C9 -0.3(6) . . . . ?
C3' C4' C10' C5' 179.4(7) . . . . ?
C3' C4' C10' C9' 0.5(9) . . . . ?
C5 C6 C7 C8 -2.6(8) . . . . ?
C5' C6' C7' C8' 0.9(10) . . . . ?
C6 C5 C10 C4 178.2(5) . . . . ?
C6 C5 C10 C9 0.1(7) . . . . ?
C6 C7 C8 C9 0.7(8) . . . . ?
C6' C5' C10' C4' 179.3(7) . . . . ?
C6' C5' C10' C9' -1.8(9) . . . . ?
C6' C7' C8' C9' -0.7(9) . . . . ?
C7 C8 C9 C1 -176.3(4) . . . . ?
C7 C8 C9 C10 1.5(7) . . . . ?
C7' C8' C9' C1' -179.1(5) . . . . ?
C7' C8' C9' C10' -0.7(7) . . . . ?
C8 C9 C10 C4 179.9(4) . . . . ?
C8 C9 C10 C5 -1.9(6) . . . . ?
C8' C9' C10' C4' -179.1(5) . . . . ?
C8' C9' C10' C5' 2.0(7) . . . . ?
C9 C1 C1' C2' 87.7(5) . . . . ?
C9 C1 C1' C9' -87.5(5) . . . . ?
C9 C1 C2 P1 179.6(3) . . . . ?
C9 C1 C2 C3 -1.4(6) . . . . ?
C9' C1' C2' C3' -1.5(7) . . . . ?
C10 C5 C6 C7 2.1(8) . . . . ?
C10' C5' C6' C7' 0.4(10) . . . . ?
C11 C11' C12' O2 2.3(6) . . . . ?
C11 C11' C12' C13' 178.0(4) . . . . ?
C11 C11' C16' C15' -179.3(5) . . . . ?
C11 C12 C13 C14 1.4(8) . . . . ?
C11 C12 C13 C17 -177.2(5) . . . . ?
C11' C11 C12 O1 1.4(7) . . . . ?
C11' C11 C12 C13 177.7(5) . . . . ?
C11' C11 C16 C15 -178.5(6) . . . . ?
C11' C12' C13' C14' 1.6(6) . . . . ?
C11' C12' C13' C17' -177.7(4) . . . . ?
C12 C11 C11' C12' 47.1(7) . . . . ?
C12 C11 C11' C16' -134.5(5) . . . . ?
C12 C11 C16 C15 1.1(10) . . . . ?
C12 C13 C14 C15 -0.1(10) . . . . ?
C12' C11' C16' C15' -0.8(7) . . . . ?
C12' C13' C14' C15' -1.4(6) . . . . ?
C13 C14 C15 C16 -0.6(12) . . . . ?
C13' C14' C15' C16' 0.2(7) . . . . ?
C14 C15 C16 C11 0.1(12) . . . . ?
C14' C15' C16' C11' 1.0(7) . . . . ?
C16 C11 C11' C12' -133.4(5) . . . . ?
C16 C11 C11' C16' 45.0(8) . . . . ?
C16 C11 C12 O1 -178.1(5) . . . . ?
C16 C11 C12 C13 -1.9(8) . . . . ?
C16' C11' C12' O2 -176.1(4) . . . . ?
C16' C11' C12' C13' -0.5(6) . . . . ?
C17 C13 C14 C15 178.5(7) . . . . ?
C17' C13' C14' C15' 177.8(4) . . . . ?
C18 C18' C19' C20' 176.8(4) . . . . ?
C18 C18' C26' C25' 4.4(6) . . . . ?
C18 C18' C26' C27' -174.9(3) . . . . ?
C18 C19 C20 C21 -0.2(6) . . . . ?
C18 C26 C27 C21 -1.6(5) . . . . ?
C18 C26 C27 C22 179.8(4) . . . . ?
C18' C18 C19 P2 1.7(5) . . . . ?
C18' C18 C19 C20 176.9(4) . . . . ?
C18' C18 C26 C25 5.5(5) . . . . ?
C18' C18 C26 C27 -176.1(3) . . . . ?
C18' C19' C20' C21' -1.4(7) . . . . ?
C18' C26' C27' C21' -2.5(6) . . . . ?
C18' C26' C27' C22' 177.3(4) . . . . ?
C19 P2 O3 C29 -65.8(3) . . . . ?
C19 P2 O4 C29' 155.9(3) . . . . ?
C19 C18 C18' C19' -93.0(5) . . . . ?
C19 C18 C18' C26' 85.9(5) . . . . ?
C19 C18 C26 C25 -175.6(4) . . . . ?
C19 C18 C26 C27 2.9(5) . . . . ?
C19 C20 C21 C27 1.7(6) . . . . ?
C19' C18' C26' C25' -176.8(4) . . . . ?
C19' C18' C26' C27' 3.9(6) . . . . ?
C19' C20' C21' C27' 2.8(8) . . . . ?
C20 C21 C27 C22 177.9(4) . . . . ?
C20 C21 C27 C26 -0.7(6) . . . . ?
C20' C21' C27' C22' 179.3(5) . . . . ?
C20' C21' C27' C26' -0.9(8) . . . . ?
C22 C23 C24 C25 -1.7(7) . . . . ?
C22' C23' C24' C25' -1.3(8) . . . . ?
C23 C22 C27 C21 -176.4(4) . . . . ?
C23 C22 C27 C26 2.2(6) . . . . ?
C23 C24 C25 C26 2.2(7) . . . . ?
C23' C22' C27' C21' -180.0(5) . . . . ?
C23' C22' C27' C26' 0.2(8) . . . . ?
C23' C24' C25' C26' -0.6(7) . . . . ?
C24 C25 C26 C18 178.1(4) . . . . ?
C24 C25 C26 C27 -0.4(6) . . . . ?
C24' C25' C26' C18' -177.1(4) . . . . ?
C24' C25' C26' C27' 2.2(6) . . . . ?
C25 C26 C27 C21 177.0(4) . . . . ?
C25 C26 C27 C22 -1.7(6) . . . . ?
C25' C26' C27' C21' 178.2(4) . . . . ?
C25' C26' C27' C22' -2.0(6) . . . . ?
C26 C18 C18' C19' 86.0(5) . . . . ?
C26 C18 C18' C26' -95.2(4) . . . . ?
C26 C18 C19 P2 -177.3(3) . . . . ?
C26 C18 C19 C20 -2.0(5) . . . . ?
C26' C18' C19' C20' -2.1(6) . . . . ?
C27 C22 C23 C24 -0.5(7) . . . . ?
C27' C22' C23' C24' 1.4(9) . . . . ?
C28 C28' C29' O4 5.1(6) . . . . ?
C28 C28' C29' C30' 179.8(4) . . . . ?
C28 C28' C33' C32' -179.8(5) . . . . ?
C28 C29 C30 C31 1.7(6) . . . . ?
C28 C29 C30 C34 -177.1(4) . . . . ?
C28' C28 C29 O3 0.7(6) . . . . ?
C28' C28 C29 C30 176.7(4) . . . . ?
C28' C28 C33 C32 -178.3(4) . . . . ?
C28' C29' C30' C31' -0.5(6) . . . . ?
C28' C29' C30' C34' -178.7(4) . . . . ?
C29 C28 C28' C29' 45.4(6) . . . . ?
C29 C28 C28' C33' -136.4(5) . . . . ?
C29 C28 C33 C32 0.4(7) . . . . ?
C29 C30 C31 C32 0.1(7) . . . . ?
C29' C28' C33' C32' -1.5(7) . . . . ?
C29' C30' C31' C32' -0.5(7) . . . . ?
C30 C31 C32 C33 -1.6(8) . . . . ?
C30' C31' C32' C33' 0.4(7) . . . . ?
C31 C32 C33 C28 1.3(7) . . . . ?
C31' C32' C33' C28' 0.6(8) . . . . ?
C33 C28 C28' C29' -136.0(4) . . . . ?
C33 C28 C28' C33' 42.3(6) . . . . ?
C33 C28 C29 O3 -178.0(4) . . . . ?
C33 C28 C29 C30 -2.0(6) . . . . ?
C33' C28' C29' O4 -173.2(4) . . . . ?
C33' C28' C29' C30' 1.5(6) . . . . ?
C34 C30 C31 C32 179.0(5) . . . . ?
C34' C30' C31' C32' 177.7(4) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 0 -1 0.0676 0.0000 0.0000 -1.0000 -0.0516 -0.0058 0.0102
0 0 1 0.0446 -0.0000 -0.0000 1.0000 0.0516 0.0058 -0.0102
0 -1 0 0.0646 0.0000 -1.0000 -0.0000 -0.0141 -0.0203 -0.0829
0 1 0 0.0706 -0.0000 1.0000 0.0000 0.0141 0.0203 0.0829
-1 -1 0 0.0681 -1.0000 -1.0000 -0.0002 0.0061 -0.1492 -0.0548
-1 1 0 0.0709 -1.0000 1.0000 -0.0001 0.0342 -0.1086 0.1110
1 -1 0 0.0509 1.0000 -1.0000 0.0001 -0.0342 0.1086 -0.1110
5 9 -2 0.0308 4.9999 9.0000 -1.9990 -0.0773 0.8154 0.6255

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ljh150009_fa
_database_code_depnum_ccdc_archive 'CCDC 1483137'
_audit_update_record             
;
2016-06-02 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2015-02-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C70 H54 Cl2 O6 P2 Pd'
_chemical_formula_sum            'C70 H54 Cl2 O6 P2 Pd'
_chemical_formula_weight         1230.37
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C72 H58 O6 P2 Cl6 Pd1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.28960(10)
_cell_length_b                   20.94262(17)
_cell_length_c                   14.09792(13)
_cell_angle_alpha                90
_cell_angle_beta                 101.7126(8)
_cell_angle_gamma                90
_cell_volume                     3263.82(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    20338
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      66.7970
_cell_measurement_theta_min      3.1860
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.897
_exptl_absorpt_correction_T_max  0.597
_exptl_absorpt_correction_T_min  0.424
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_lustre     ?
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            43167
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        66.500
_diffrn_reflns_theta_max         66.919
_diffrn_reflns_theta_min         3.201
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -80.00  -18.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.5905  125.0000  -90.0000 62

#__ type_ start__ end____ width___ exp.time_
  2 omega  -84.00  -57.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.5905  125.0000  -60.0000 27

#__ type_ start__ end____ width___ exp.time_
  3 omega  -88.00  -62.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.5905  -38.0000   30.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega   17.00  115.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       41.5905   38.0000  150.0000 98

#__ type_ start__ end____ width___ exp.time_
  5 omega   -3.00   96.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       41.5905 -125.0000 -120.0000 99

#__ type_ start__ end____ width___ exp.time_
  6 omega   51.00  116.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       41.5905   38.0000   60.0000 65

#__ type_ start__ end____ width___ exp.time_
  7 omega   60.00  102.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   60.0000 42

#__ type_ start__ end____ width___ exp.time_
  8 omega  133.00  160.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -120.0000 27

#__ type_ start__ end____ width___ exp.time_
  9 omega  120.00  147.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
 10 omega   62.00  151.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   90.0000 89

#__ type_ start__ end____ width___ exp.time_
 11 omega   64.00  131.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   30.0000  -90.0000 67

#__ type_ start__ end____ width___ exp.time_
 12 omega   82.00  128.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -86.0000 -112.7680 46

#__ type_ start__ end____ width___ exp.time_
 13 omega   69.00  127.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000 -150.0000 58

#__ type_ start__ end____ width___ exp.time_
 14 omega   77.00  140.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  -90.0000 63

#__ type_ start__ end____ width___ exp.time_
 15 omega   19.00   73.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000 -120.0000 54

#__ type_ start__ end____ width___ exp.time_
 16 omega  118.00  145.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  -30.0000 27

#__ type_ start__ end____ width___ exp.time_
 17 omega  117.00  154.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -15.0000  -90.0000 37

#__ type_ start__ end____ width___ exp.time_
 18 omega   17.00   92.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -15.0000  -90.0000 75

#__ type_ start__ end____ width___ exp.time_
 19 omega   37.00   63.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 20 omega   63.00  164.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   30.0000   60.0000 101

#__ type_ start__ end____ width___ exp.time_
 21 omega   19.00   83.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -94.0000 -180.0000 64

#__ type_ start__ end____ width___ exp.time_
 22 omega    9.00   63.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -94.0000 -120.0000 54

#__ type_ start__ end____ width___ exp.time_
 23 omega   54.00  113.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -61.0000   30.0000 59

#__ type_ start__ end____ width___ exp.time_
 24 omega   12.00   75.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -86.0000 -112.7680 63

#__ type_ start__ end____ width___ exp.time_
 25 omega   21.00   70.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000   60.0000 49

#__ type_ start__ end____ width___ exp.time_
 26 omega   22.00   50.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -30.0000 -120.0000 28

#__ type_ start__ end____ width___ exp.time_
 27 omega   78.00  115.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   15.0000 -180.0000 37

#__ type_ start__ end____ width___ exp.time_
 28 omega   36.00   70.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000  -90.0000 34

#__ type_ start__ end____ width___ exp.time_
 29 omega   69.00  147.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000   90.0000 78

#__ type_ start__ end____ width___ exp.time_
 30 omega   84.00  110.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  125.0000    0.0000 26

#__ type_ start__ end____ width___ exp.time_
 31 omega  145.00  172.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  -90.0000 27

#__ type_ start__ end____ width___ exp.time_
 32 omega   16.00   58.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -30.0000    0.0000 42

#__ type_ start__ end____ width___ exp.time_
 33 omega  143.00  168.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   15.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
 34 omega   36.00   61.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -30.0000  150.0000 25

#__ type_ start__ end____ width___ exp.time_
 35 omega   40.00   76.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000    0.0000 36

#__ type_ start__ end____ width___ exp.time_
 36 omega   62.00   89.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
 37 omega   66.00  113.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000   60.0000 47

#__ type_ start__ end____ width___ exp.time_
 38 omega   41.00   66.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
 39 omega -120.00   -8.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.5905  -77.0000  -30.0000 112

#__ type_ start__ end____ width___ exp.time_
 40 omega  -99.00  -18.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.5905  125.0000    0.0000 81

#__ type_ start__ end____ width___ exp.time_
 41 omega -116.00  -79.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.5905  -57.0000   30.0000 37
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.1337132000
_diffrn_orient_matrix_UB_12      0.0135230000
_diffrn_orient_matrix_UB_13      -0.0018387000
_diffrn_orient_matrix_UB_21      -0.0395493000
_diffrn_orient_matrix_UB_22      0.0450405000
_diffrn_orient_matrix_UB_23      -0.0871045000
_diffrn_orient_matrix_UB_31      -0.0004804000
_diffrn_orient_matrix_UB_32      0.0565217000
_diffrn_orient_matrix_UB_33      0.0697383000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage         0.938
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.993
_reflns_number_gt                10738
_reflns_number_total             11588
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.255
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 
;
 Flack x determined using 4858 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.016(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     736
_refine_ls_number_reflns         11588
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0293
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0361P)²+0.4386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0710
_refine_special_details          
;
There are two molecules of dichloromethane in the 
asymmetric unit, disordered over multiple positions. 
A sensible model of this disorder was not possible so 
the residual electron density in the solvent 
accessible voids has been masked out using the 
Olex2 solvent mask routine.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C3'(H3'), C4(H4), C4'(H4'), C5(H5), C5'(H5'), C6(H6), C6'(H6'),
 C7(H7), C7'(H7'), C8(H8), C8'(H8'), C14(H14), C14'(H14'), C15(H15), C15'(H15'),
  C16(H16), C16'(H16'), C21(H21), C21'(H21'), C22(H22), C22'(H22'), C23(H23),
 C23'(H23'), C24(H24), C24'(H24'), C25(H25), C25'(H25'), C26(H26), C26'(H26'),
 C32(H32), C32'(H32'), C33(H33), C33'(H33'), C34(H34), C34'(H34')
2.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C17'(H17D,H17E,H17F), C18(H18A,H18B,H18C), C35(H35A,H35B,
 H35C), C35'(H35D,H35E,H35F), C36(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.21159(2) 0.55158(2) 0.63682(2) 0.02735(8) Uani 1 1 d . . . . .
Cl1 Cl 0.15387(11) 0.60934(5) 0.49311(8) 0.0389(3) Uani 1 1 d . . . . .
Cl2 Cl 0.27478(11) 0.64357(5) 0.72692(9) 0.0401(3) Uani 1 1 d . . . . .
P1 P 0.30180(10) 0.49920(5) 0.77016(8) 0.0285(2) Uani 1 1 d . . . . .
P2 P 0.11321(9) 0.47173(5) 0.54965(7) 0.0275(2) Uani 1 1 d . . . . .
O1 O 0.2688(3) 0.42466(15) 0.7699(2) 0.0350(7) Uani 1 1 d . . . . .
O2 O 0.4453(3) 0.50063(15) 0.7833(2) 0.0320(6) Uani 1 1 d . . . . .
O3 O 0.4638(3) 0.43220(18) 1.0252(2) 0.0460(8) Uani 1 1 d . . . . .
O4 O 0.1375(3) 0.40421(14) 0.6008(2) 0.0322(6) Uani 1 1 d . . . . .
O5 O -0.0295(3) 0.48166(14) 0.53424(19) 0.0310(6) Uani 1 1 d . . . . .
O6 O -0.0339(4) 0.32698(18) 0.3640(3) 0.0546(10) Uani 1 1 d . . . . .
C1 C 0.3519(4) 0.5436(3) 0.9670(3) 0.0327(9) Uani 1 1 d . . . . .
C1' C 0.4863(4) 0.5379(2) 0.9799(3) 0.0346(11) Uani 1 1 d . . . . .
C2 C 0.2707(4) 0.5280(2) 0.8824(3) 0.0324(9) Uani 1 1 d . . . . .
C2' C 0.5400(4) 0.4806(2) 1.0139(3) 0.0372(10) Uani 1 1 d . . . . .
C3 C 0.1441(4) 0.5322(2) 0.8780(3) 0.0375(11) Uani 1 1 d . . . . .
H3 H 0.0900 0.5218 0.8192 0.045 Uiso 1 1 calc R . . . .
C3' C 0.6679(4) 0.4746(3) 1.0361(3) 0.0445(12) Uani 1 1 d . . . . .
H3' H 0.7042 0.4353 1.0597 0.053 Uiso 1 1 calc R . . . .
C4 C 0.0985(4) 0.5505(3) 0.9556(3) 0.0408(9) Uani 1 1 d . . . . .
H4 H 0.0134 0.5519 0.9511 0.049 Uiso 1 1 calc R . . . .
C4' C 0.7383(5) 0.5254(3) 1.0235(4) 0.0454(13) Uani 1 1 d . . . . .
H4' H 0.8238 0.5214 1.0408 0.054 Uiso 1 1 calc R . . . .
C5 C 0.1327(5) 0.5859(3) 1.1261(4) 0.0455(12) Uani 1 1 d . . . . .
H5 H 0.0479 0.5868 1.1230 0.055 Uiso 1 1 calc R . . . .
C5' C 0.7599(5) 0.6357(3) 0.9677(4) 0.0537(14) Uani 1 1 d . . . . .
H5' H 0.8456 0.6322 0.9829 0.064 Uiso 1 1 calc R . . . .
C6 C 0.2105(5) 0.6024(3) 1.2107(4) 0.0464(12) Uani 1 1 d . . . . .
H6 H 0.1798 0.6141 1.2662 0.056 Uiso 1 1 calc R . . . .
C6' C 0.7085(6) 0.6908(3) 0.9290(4) 0.0570(15) Uani 1 1 d . . . . .
H6' H 0.7580 0.7251 0.9162 0.068 Uiso 1 1 calc R . . . .
C7 C 0.3357(5) 0.6019(3) 1.2145(4) 0.0462(12) Uani 1 1 d . . . . .
H7 H 0.3894 0.6136 1.2729 0.055 Uiso 1 1 calc R . . . .
C7' C 0.5817(5) 0.6972(3) 0.9077(4) 0.0534(14) Uani 1 1 d . . . . .
H7' H 0.5461 0.7357 0.8801 0.064 Uiso 1 1 calc R . . . .
C8 C 0.3815(4) 0.5849(2) 1.1361(3) 0.0408(11) Uani 1 1 d . . . . .
H8 H 0.4665 0.5859 1.1401 0.049 Uiso 1 1 calc R . . . .
C8' C 0.5094(5) 0.6485(3) 0.9265(4) 0.0460(12) Uani 1 1 d . . . . .
H8' H 0.4242 0.6540 0.9138 0.055 Uiso 1 1 calc R . . . .
C9 C 0.3034(4) 0.5656(2) 1.0476(3) 0.0365(11) Uani 1 1 d . . . . .
C9' C 0.5593(4) 0.5908(2) 0.9640(3) 0.0375(11) Uani 1 1 d . . . . .
C10 C 0.1777(4) 0.5677(2) 1.0439(3) 0.0380(11) Uani 1 1 d . . . . .
C10' C 0.6883(5) 0.5827(3) 0.9861(4) 0.0446(12) Uani 1 1 d . . . . .
C11 C 0.4476(4) 0.3626(2) 0.7578(3) 0.0347(10) Uani 1 1 d . . . . .
C11' C 0.4924(4) 0.4087(2) 0.6938(3) 0.0390(10) Uani 1 1 d . . . . .
C12 C 0.3378(4) 0.3707(2) 0.7923(3) 0.0337(10) Uani 1 1 d . . . . .
C12' C 0.4929(4) 0.4750(2) 0.7060(3) 0.0332(9) Uani 1 1 d . . . . .
C13 C 0.2888(5) 0.3218(2) 0.8386(3) 0.0397(11) Uani 1 1 d . . . . .
C13' C 0.5423(4) 0.5184(3) 0.6484(4) 0.0388(12) Uani 1 1 d . . . . .
C14 C 0.3545(6) 0.2653(3) 0.8577(4) 0.0529(14) Uani 1 1 d . . . . .
H14 H 0.3226 0.2311 0.8890 0.063 Uiso 1 1 calc R . . . .
C14' C 0.5898(4) 0.4911(3) 0.5728(3) 0.0431(11) Uani 1 1 d . . . . .
H14' H 0.6228 0.5182 0.5308 0.052 Uiso 1 1 calc R . . . .
C15 C 0.4644(6) 0.2584(3) 0.8320(4) 0.0575(15) Uani 1 1 d . . . . .
H15 H 0.5099 0.2204 0.8486 0.069 Uiso 1 1 calc R . . . .
C15' C 0.5898(5) 0.4248(3) 0.5579(4) 0.0478(12) Uani 1 1 d . . . . .
H15' H 0.6236 0.4077 0.5069 0.057 Uiso 1 1 calc R . . . .
C16 C 0.5097(5) 0.3063(3) 0.7821(4) 0.0520(13) Uani 1 1 d . . . . .
H16 H 0.5856 0.3003 0.7641 0.062 Uiso 1 1 calc R . . . .
C16' C 0.5405(5) 0.3842(3) 0.6175(4) 0.0476(12) Uani 1 1 d . . . . .
H16' H 0.5395 0.3395 0.6063 0.057 Uiso 1 1 calc R . . . .
C17 C 0.1657(5) 0.3283(3) 0.8627(4) 0.0499(13) Uani 1 1 d . . . . .
H17A H 0.1536 0.3725 0.8816 0.075 Uiso 1 1 calc GR . . . .
H17B H 0.1595 0.2996 0.9164 0.075 Uiso 1 1 calc GR . . . .
H17C H 0.1036 0.3171 0.8058 0.075 Uiso 1 1 calc GR . . . .
C17' C 0.5445(5) 0.5885(3) 0.6660(5) 0.0526(15) Uani 1 1 d . . . . .
H17D H 0.4618 0.6054 0.6501 0.079 Uiso 1 1 calc GR . . . .
H17E H 0.5938 0.6093 0.6252 0.079 Uiso 1 1 calc GR . . . .
H17F H 0.5793 0.5971 0.7343 0.079 Uiso 1 1 calc GR . . . .
C18 C 0.5129(6) 0.3700(3) 1.0475(5) 0.0596(15) Uani 1 1 d . . . . .
H18A H 0.5618 0.3580 1.0003 0.089 Uiso 1 1 calc GR . . . .
H18B H 0.4468 0.3393 1.0447 0.089 Uiso 1 1 calc GR . . . .
H18C H 0.5637 0.3701 1.1127 0.089 Uiso 1 1 calc GR . . . .
C19 C 0.0658(4) 0.4432(2) 0.3467(3) 0.0299(9) Uani 1 1 d . . . . .
C19' C -0.0673(4) 0.4366(2) 0.3389(3) 0.0316(9) Uani 1 1 d . . . . .
C20 C 0.1462(4) 0.4592(2) 0.4310(3) 0.0309(9) Uani 1 1 d . . . . .
C20' C -0.1154(5) 0.3761(3) 0.3472(3) 0.0424(11) Uani 1 1 d . . . . .
C21 C 0.2715(4) 0.4638(2) 0.4337(3) 0.0383(10) Uani 1 1 d . . . . .
H21 H 0.3246 0.4750 0.4926 0.046 Uiso 1 1 calc R . . . .
C21' C -0.2403(5) 0.3666(3) 0.3366(4) 0.0522(14) Uani 1 1 d . . . . .
H21' H -0.2722 0.3250 0.3409 0.063 Uiso 1 1 calc R . . . .
C22 C 0.3173(5) 0.4525(3) 0.3532(4) 0.0471(13) Uani 1 1 d . . . . .
H22 H 0.4020 0.4555 0.3566 0.057 Uiso 1 1 calc R . . . .
C22' C -0.3142(5) 0.4176(3) 0.3201(4) 0.0553(15) Uani 1 1 d . . . . .
H22' H -0.3987 0.4108 0.3139 0.066 Uiso 1 1 calc R . . . .
C23 C 0.2831(5) 0.4258(3) 0.1800(4) 0.0486(12) Uani 1 1 d . . . . .
H23 H 0.3673 0.4302 0.1817 0.058 Uiso 1 1 calc R . . . .
C23' C -0.3482(5) 0.5336(4) 0.2927(4) 0.0625(19) Uani 1 1 d . . . . .
H23' H -0.4326 0.5278 0.2881 0.075 Uiso 1 1 calc R . . . .
C24 C 0.2097(5) 0.4100(3) 0.0964(4) 0.0548(14) Uani 1 1 d . . . . .
H24 H 0.2423 0.4031 0.0402 0.066 Uiso 1 1 calc R . . . .
C24' C -0.3064(6) 0.5926(4) 0.2806(5) 0.069(2) Uani 1 1 d . . . . .
H24' H -0.3605 0.6279 0.2695 0.082 Uiso 1 1 calc R . . . .
C25 C 0.0855(6) 0.4036(3) 0.0911(4) 0.0565(15) Uani 1 1 d . . . . .
H25 H 0.0342 0.3912 0.0319 0.068 Uiso 1 1 calc R . . . .
C25' C -0.1807(6) 0.6017(3) 0.2844(5) 0.0594(16) Uani 1 1 d . . . . .
H25' H -0.1507 0.6429 0.2738 0.071 Uiso 1 1 calc R . . . .
C26 C 0.0368(5) 0.4153(3) 0.1724(3) 0.0434(11) Uani 1 1 d . . . . .
H26 H -0.0481 0.4126 0.1681 0.052 Uiso 1 1 calc R . . . .
C26' C -0.1026(4) 0.5508(3) 0.3036(3) 0.0447(10) Uani 1 1 d . . . . .
H26' H -0.0186 0.5572 0.3065 0.054 Uiso 1 1 calc R . . . .
C27 C 0.1130(4) 0.4311(2) 0.2604(3) 0.0354(10) Uani 1 1 d . . . . .
C27' C -0.1449(4) 0.4894(3) 0.3189(3) 0.0390(11) Uani 1 1 d . . . . .
C28 C 0.2399(4) 0.4362(2) 0.2649(3) 0.0374(10) Uani 1 1 d . . . . .
C28' C -0.2724(5) 0.4810(3) 0.3116(3) 0.0461(13) Uani 1 1 d . . . . .
C29 C -0.0497(4) 0.3663(2) 0.6409(3) 0.0360(10) Uani 1 1 d . . . . .
C29' C -0.0835(4) 0.4302(2) 0.6729(3) 0.0339(10) Uani 1 1 d . . . . .
C30 C 0.0553(4) 0.3548(2) 0.6058(3) 0.0326(10) Uani 1 1 d . . . . .
C30' C -0.0760(4) 0.4861(2) 0.6209(3) 0.0321(10) Uani 1 1 d . . . . .
C31 C 0.0927(5) 0.2938(2) 0.5851(3) 0.0406(11) Uani 1 1 d . . . . .
C31' C -0.1167(4) 0.5458(3) 0.6453(3) 0.0379(10) Uani 1 1 d . . . . .
C32 C 0.0186(6) 0.2438(3) 0.5973(4) 0.0545(14) Uani 1 1 d . . . . .
H32 H 0.0418 0.2017 0.5840 0.065 Uiso 1 1 calc R . . . .
C32' C -0.1619(4) 0.5477(3) 0.7302(3) 0.0427(11) Uani 1 1 d . . . . .
H32' H -0.1884 0.5874 0.7510 0.051 Uiso 1 1 calc R . . . .
C33 C -0.0882(6) 0.2526(3) 0.6283(5) 0.0618(16) Uani 1 1 d . . . . .
H33 H -0.1395 0.2174 0.6333 0.074 Uiso 1 1 calc R . . . .
C33' C -0.1695(4) 0.4940(3) 0.7851(3) 0.0433(12) Uani 1 1 d . . . . .
H33' H -0.2002 0.4974 0.8428 0.052 Uiso 1 1 calc R . . . .
C34 C -0.1199(5) 0.3137(3) 0.6520(4) 0.0496(12) Uani 1 1 d . . . . .
H34 H -0.1916 0.3196 0.6766 0.060 Uiso 1 1 calc R . . . .
C34' C -0.1326(4) 0.4346(3) 0.7570(4) 0.0417(11) Uani 1 1 d . . . . .
H34' H -0.1404 0.3975 0.7940 0.050 Uiso 1 1 calc R . . . .
C35 C 0.2100(5) 0.2844(2) 0.5508(4) 0.0496(13) Uani 1 1 d . . . . .
H35A H 0.2127 0.3136 0.4970 0.074 Uiso 1 1 calc GR . . . .
H35B H 0.2151 0.2403 0.5291 0.074 Uiso 1 1 calc GR . . . .
H35C H 0.2783 0.2934 0.6042 0.074 Uiso 1 1 calc GR . . . .
C35' C -0.1187(5) 0.6026(3) 0.5820(4) 0.0479(13) Uani 1 1 d . . . . .
H35D H -0.1778 0.6335 0.5963 0.072 Uiso 1 1 calc GR . . . .
H35E H -0.1413 0.5895 0.5140 0.072 Uiso 1 1 calc GR . . . .
H35F H -0.0383 0.6222 0.5939 0.072 Uiso 1 1 calc GR . . . .
C36 C -0.0775(8) 0.2626(3) 0.3593(7) 0.092(3) Uani 1 1 d . . . . .
H36A H -0.1298 0.2550 0.2958 0.139 Uiso 1 1 calc GR . . . .
H36B H -0.1238 0.2557 0.4102 0.139 Uiso 1 1 calc GR . . . .
H36C H -0.0088 0.2330 0.3687 0.139 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 Cl1 2.3359(11) . ?
Pd1 Cl2 2.3379(11) . ?
Pd1 P1 2.2354(11) . ?
Pd1 P2 2.2329(11) . ?
P1 O1 1.605(3) . ?
P1 O2 1.593(3) . ?
P1 C2 1.793(4) . ?
P2 O4 1.586(3) . ?
P2 O5 1.595(3) . ?
P2 C20 1.806(4) . ?
O1 C12 1.372(6) . ?
O2 C12' 1.415(5) . ?
O3 C2' 1.360(6) . ?
O3 C18 1.424(7) . ?
O4 C30 1.401(6) . ?
O5 C30' 1.428(5) . ?
O6 C20' 1.368(7) . ?
O6 C36 1.432(7) . ?
C1 C1' 1.495(6) . ?
C1 C2 1.388(6) . ?
C1 C9 1.433(6) . ?
C1' C2' 1.384(7) . ?
C1' C9' 1.426(7) . ?
C2 C3 1.421(6) . ?
C2' C3' 1.420(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.356(6) . ?
C3' H3' 0.9500 . ?
C3' C4' 1.360(8) . ?
C4 H4 0.9500 . ?
C4 C10 1.424(6) . ?
C4' H4' 0.9500 . ?
C4' C10' 1.385(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.374(8) . ?
C5 C10 1.410(7) . ?
C5' H5' 0.9500 . ?
C5' C6' 1.356(9) . ?
C5' C10' 1.427(8) . ?
C6 H6 0.9500 . ?
C6 C7 1.404(8) . ?
C6' H6' 0.9500 . ?
C6' C7' 1.409(9) . ?
C7 H7 0.9500 . ?
C7 C8 1.359(7) . ?
C7' H7' 0.9500 . ?
C7' C8' 1.365(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.432(6) . ?
C8' H8' 0.9500 . ?
C8' C9' 1.391(8) . ?
C9 C10 1.410(6) . ?
C9' C10' 1.436(7) . ?
C11 C11' 1.478(7) . ?
C11 C12 1.431(6) . ?
C11 C16 1.379(7) . ?
C11' C12' 1.399(7) . ?
C11' C16' 1.397(7) . ?
C12 C13 1.389(7) . ?
C12' C13' 1.408(7) . ?
C13 C14 1.392(7) . ?
C13 C17 1.503(8) . ?
C13' C14' 1.408(7) . ?
C13' C17' 1.488(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.369(9) . ?
C14' H14' 0.9500 . ?
C14' C15' 1.404(8) . ?
C15 H15 0.9500 . ?
C15 C16 1.382(9) . ?
C15' H15' 0.9500 . ?
C15' C16' 1.388(8) . ?
C16 H16 0.9500 . ?
C16' H16' 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17' H17D 0.9800 . ?
C17' H17E 0.9800 . ?
C17' H17F 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C19' 1.491(6) . ?
C19 C20 1.381(6) . ?
C19 C27 1.447(6) . ?
C19' C20' 1.392(7) . ?
C19' C27' 1.404(7) . ?
C20 C21 1.411(6) . ?
C20' C21' 1.402(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.359(7) . ?
C21' H21' 0.9500 . ?
C21' C22' 1.345(9) . ?
C22 H22 0.9500 . ?
C22 C28 1.410(7) . ?
C22' H22' 0.9500 . ?
C22' C28' 1.422(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.338(8) . ?
C23 C28 1.399(7) . ?
C23' H23' 0.9500 . ?
C23' C24' 1.345(11) . ?
C23' C28' 1.389(9) . ?
C24 H24 0.9500 . ?
C24 C25 1.396(8) . ?
C24' H24' 0.9500 . ?
C24' C25' 1.422(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.390(7) . ?
C25' H25' 0.9500 . ?
C25' C26' 1.376(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.398(6) . ?
C26' H26' 0.9500 . ?
C26' C27' 1.403(9) . ?
C27 C28 1.426(7) . ?
C27' C28' 1.433(7) . ?
C29 C29' 1.486(7) . ?
C29 C30 1.395(7) . ?
C29 C34 1.385(7) . ?
C29' C30' 1.392(7) . ?
C29' C34' 1.409(7) . ?
C30 C31 1.396(7) . ?
C30' C31' 1.399(8) . ?
C31 C32 1.373(8) . ?
C31 C35 1.512(8) . ?
C31' C32' 1.394(6) . ?
C31' C35' 1.485(8) . ?
C32 H32 0.9500 . ?
C32 C33 1.375(9) . ?
C32' H32' 0.9500 . ?
C32' C33' 1.378(9) . ?
C33 H33 0.9500 . ?
C33 C34 1.387(9) . ?
C33' H33' 0.9500 . ?
C33' C34' 1.395(8) . ?
C34 H34 0.9500 . ?
C34' H34' 0.9500 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35' H35D 0.9800 . ?
C35' H35E 0.9800 . ?
C35' H35F 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Pd1 Cl2 92.59(4) . . ?
P1 Pd1 Cl1 169.34(4) . . ?
P1 Pd1 Cl2 84.88(4) . . ?
P2 Pd1 Cl1 83.71(4) . . ?
P2 Pd1 Cl2 168.22(4) . . ?
P2 Pd1 P1 100.73(4) . . ?
O1 P1 Pd1 114.18(12) . . ?
O1 P1 C2 104.03(19) . . ?
O2 P1 Pd1 111.55(12) . . ?
O2 P1 O1 104.41(17) . . ?
O2 P1 C2 105.54(18) . . ?
C2 P1 Pd1 116.05(15) . . ?
O4 P2 Pd1 113.37(12) . . ?
O4 P2 O5 104.78(16) . . ?
O4 P2 C20 104.02(18) . . ?
O5 P2 Pd1 110.68(12) . . ?
O5 P2 C20 106.56(17) . . ?
C20 P2 Pd1 116.49(15) . . ?
C12 O1 P1 132.8(3) . . ?
C12' O2 P1 116.1(3) . . ?
C2' O3 C18 118.8(4) . . ?
C30 O4 P2 128.7(3) . . ?
C30' O5 P2 115.4(3) . . ?
C20' O6 C36 119.2(5) . . ?
C2 C1 C1' 124.2(4) . . ?
C2 C1 C9 117.7(4) . . ?
C9 C1 C1' 118.1(4) . . ?
C2' C1' C1 118.3(4) . . ?
C2' C1' C9' 120.1(4) . . ?
C9' C1' C1 121.5(4) . . ?
C1 C2 P1 128.6(3) . . ?
C1 C2 C3 120.4(4) . . ?
C3 C2 P1 111.0(3) . . ?
O3 C2' C1' 116.4(4) . . ?
O3 C2' C3' 123.1(5) . . ?
C1' C2' C3' 120.5(5) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.8(4) . . ?
C4 C3 H3 119.1 . . ?
C2' C3' H3' 120.1 . . ?
C4' C3' C2' 119.8(5) . . ?
C4' C3' H3' 120.1 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C10 120.1(4) . . ?
C10 C4 H4 119.9 . . ?
C3' C4' H4' 119.2 . . ?
C3' C4' C10' 121.6(5) . . ?
C10' C4' H4' 119.2 . . ?
C6 C5 H5 119.7 . . ?
C6 C5 C10 120.6(5) . . ?
C10 C5 H5 119.7 . . ?
C6' C5' H5' 119.2 . . ?
C6' C5' C10' 121.5(5) . . ?
C10' C5' H5' 119.2 . . ?
C5 C6 H6 120.3 . . ?
C5 C6 C7 119.5(5) . . ?
C7 C6 H6 120.3 . . ?
C5' C6' H6' 120.0 . . ?
C5' C6' C7' 120.0(5) . . ?
C7' C6' H6' 120.0 . . ?
C6 C7 H7 119.4 . . ?
C8 C7 C6 121.2(5) . . ?
C8 C7 H7 119.4 . . ?
C6' C7' H7' 119.7 . . ?
C8' C7' C6' 120.6(6) . . ?
C8' C7' H7' 119.7 . . ?
C7 C8 H8 119.5 . . ?
C7 C8 C9 120.9(5) . . ?
C9 C8 H8 119.5 . . ?
C7' C8' H8' 119.6 . . ?
C7' C8' C9' 120.7(5) . . ?
C9' C8' H8' 119.6 . . ?
C8 C9 C1 121.0(4) . . ?
C10 C9 C1 121.6(4) . . ?
C10 C9 C8 117.4(4) . . ?
C1' C9' C10' 117.9(5) . . ?
C8' C9' C1' 122.2(4) . . ?
C8' C9' C10' 119.9(5) . . ?
C5 C10 C4 121.3(4) . . ?
C5 C10 C9 120.4(4) . . ?
C9 C10 C4 118.3(4) . . ?
C4' C10' C5' 122.7(5) . . ?
C4' C10' C9' 120.1(5) . . ?
C5' C10' C9' 117.1(5) . . ?
C12 C11 C11' 123.9(4) . . ?
C16 C11 C11' 119.4(4) . . ?
C16 C11 C12 116.6(5) . . ?
C12' C11' C11 124.4(4) . . ?
C16' C11' C11 117.7(5) . . ?
C16' C11' C12' 117.8(5) . . ?
O1 C12 C11 120.7(4) . . ?
O1 C12 C13 117.0(4) . . ?
C13 C12 C11 121.8(4) . . ?
C11' C12' O2 118.6(4) . . ?
C11' C12' C13' 124.2(4) . . ?
C13' C12' O2 117.1(4) . . ?
C12 C13 C14 118.1(5) . . ?
C12 C13 C17 120.9(4) . . ?
C14 C13 C17 120.9(5) . . ?
C12' C13' C17' 122.5(5) . . ?
C14' C13' C12' 115.4(5) . . ?
C14' C13' C17' 122.1(5) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 C13 120.9(5) . . ?
C15 C14 H14 119.5 . . ?
C13' C14' H14' 119.1 . . ?
C15' C14' C13' 121.8(5) . . ?
C15' C14' H14' 119.1 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.4(5) . . ?
C16 C15 H15 119.8 . . ?
C14' C15' H15' 119.9 . . ?
C16' C15' C14' 120.2(5) . . ?
C16' C15' H15' 119.9 . . ?
C11 C16 C15 121.8(5) . . ?
C11 C16 H16 119.1 . . ?
C15 C16 H16 119.1 . . ?
C11' C16' H16' 119.8 . . ?
C15' C16' C11' 120.5(5) . . ?
C15' C16' H16' 119.8 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13' C17' H17D 109.5 . . ?
C13' C17' H17E 109.5 . . ?
C13' C17' H17F 109.5 . . ?
H17D C17' H17E 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
O3 C18 H18A 109.5 . . ?
O3 C18 H18B 109.5 . . ?
O3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C19' 124.2(4) . . ?
C20 C19 C27 118.4(4) . . ?
C27 C19 C19' 117.3(4) . . ?
C20' C19' C19 118.8(4) . . ?
C20' C19' C27' 119.8(4) . . ?
C27' C19' C19 121.3(4) . . ?
C19 C20 P2 127.5(3) . . ?
C19 C20 C21 121.3(4) . . ?
C21 C20 P2 111.0(3) . . ?
O6 C20' C19' 116.0(4) . . ?
O6 C20' C21' 122.6(5) . . ?
C19' C20' C21' 121.4(5) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 C20 121.0(4) . . ?
C22 C21 H21 119.5 . . ?
C20' C21' H21' 120.6 . . ?
C22' C21' C20' 118.8(5) . . ?
C22' C21' H21' 120.6 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C28 120.4(5) . . ?
C28 C22 H22 119.8 . . ?
C21' C22' H22' 118.3 . . ?
C21' C22' C28' 123.4(5) . . ?
C28' C22' H22' 118.3 . . ?
C24 C23 H23 118.9 . . ?
C24 C23 C28 122.1(5) . . ?
C28 C23 H23 118.9 . . ?
C24' C23' H23' 118.8 . . ?
C24' C23' C28' 122.4(6) . . ?
C28' C23' H23' 118.8 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.5(5) . . ?
C25 C24 H24 119.8 . . ?
C23' C24' H24' 120.3 . . ?
C23' C24' C25' 119.4(6) . . ?
C25' C24' H24' 120.3 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0(5) . . ?
C26 C25 H25 120.0 . . ?
C24' C25' H25' 120.0 . . ?
C26' C25' C24' 119.9(6) . . ?
C26' C25' H25' 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 119.9(5) . . ?
C27 C26 H26 120.0 . . ?
C25' C26' H26' 119.5 . . ?
C25' C26' C27' 121.0(5) . . ?
C27' C26' H26' 119.5 . . ?
C26 C27 C19 121.5(4) . . ?
C26 C27 C28 119.3(4) . . ?
C28 C27 C19 119.2(4) . . ?
C19' C27' C28' 119.6(5) . . ?
C26' C27' C19' 122.3(4) . . ?
C26' C27' C28' 118.1(5) . . ?
C22 C28 C27 119.7(4) . . ?
C23 C28 C22 122.2(5) . . ?
C23 C28 C27 118.1(4) . . ?
C22' C28' C27' 117.0(5) . . ?
C23' C28' C22' 123.8(5) . . ?
C23' C28' C27' 119.1(6) . . ?
C30 C29 C29' 123.5(4) . . ?
C34 C29 C29' 119.6(4) . . ?
C34 C29 C30 116.8(4) . . ?
C30' C29' C29 123.3(4) . . ?
C30' C29' C34' 117.7(4) . . ?
C34' C29' C29 118.8(4) . . ?
C29 C30 O4 120.7(4) . . ?
C29 C30 C31 123.2(4) . . ?
C31 C30 O4 115.7(4) . . ?
C29' C30' O5 118.0(4) . . ?
C29' C30' C31' 124.3(4) . . ?
C31' C30' O5 117.7(4) . . ?
C30 C31 C35 120.5(4) . . ?
C32 C31 C30 117.0(5) . . ?
C32 C31 C35 122.5(5) . . ?
C30' C31' C35' 122.3(4) . . ?
C32' C31' C30' 115.7(5) . . ?
C32' C31' C35' 122.0(5) . . ?
C31 C32 H32 118.9 . . ?
C31 C32 C33 122.3(5) . . ?
C33 C32 H32 118.9 . . ?
C31' C32' H32' 118.9 . . ?
C33' C32' C31' 122.2(5) . . ?
C33' C32' H32' 118.9 . . ?
C32 C33 H33 120.4 . . ?
C32 C33 C34 119.1(5) . . ?
C34 C33 H33 120.4 . . ?
C32' C33' H33' 119.6 . . ?
C32' C33' C34' 120.9(4) . . ?
C34' C33' H33' 119.6 . . ?
C29 C34 C33 121.6(5) . . ?
C29 C34 H34 119.2 . . ?
C33 C34 H34 119.2 . . ?
C29' C34' H34' 120.4 . . ?
C33' C34' C29' 119.2(5) . . ?
C33' C34' H34' 120.4 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31' C35' H35D 109.5 . . ?
C31' C35' H35E 109.5 . . ?
C31' C35' H35F 109.5 . . ?
H35D C35' H35E 109.5 . . ?
H35D C35' H35F 109.5 . . ?
H35E C35' H35F 109.5 . . ?
O6 C36 H36A 109.5 . . ?
O6 C36 H36B 109.5 . . ?
O6 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pd1 P1 O1 C12 133.4(3) . . . . ?
Pd1 P1 O2 C12' -58.0(3) . . . . ?
Pd1 P1 C2 C1 -129.0(4) . . . . ?
Pd1 P1 C2 C3 52.9(4) . . . . ?
Pd1 P2 O4 C30 138.6(3) . . . . ?
Pd1 P2 O5 C30' -58.4(3) . . . . ?
Pd1 P2 C20 C19 -140.8(4) . . . . ?
Pd1 P2 C20 C21 43.1(4) . . . . ?
P1 O1 C12 C11 -44.8(6) . . . . ?
P1 O1 C12 C13 143.2(4) . . . . ?
P1 O2 C12' C11' -73.6(4) . . . . ?
P1 O2 C12' C13' 108.7(4) . . . . ?
P1 C2 C3 C4 177.5(5) . . . . ?
P2 O4 C30 C29 -54.1(6) . . . . ?
P2 O4 C30 C31 133.3(4) . . . . ?
P2 O5 C30' C29' -74.4(4) . . . . ?
P2 O5 C30' C31' 108.8(4) . . . . ?
P2 C20 C21 C22 176.3(4) . . . . ?
O1 P1 O2 C12' 65.8(3) . . . . ?
O1 P1 C2 C1 104.7(5) . . . . ?
O1 P1 C2 C3 -73.4(4) . . . . ?
O1 C12 C13 C14 176.8(4) . . . . ?
O1 C12 C13 C17 -0.1(6) . . . . ?
O2 P1 O1 C12 11.3(4) . . . . ?
O2 P1 C2 C1 -4.9(5) . . . . ?
O2 P1 C2 C3 177.0(3) . . . . ?
O2 C12' C13' C14' 179.4(4) . . . . ?
O2 C12' C13' C17' -0.4(7) . . . . ?
O3 C2' C3' C4' -179.5(4) . . . . ?
O4 P2 O5 C30' 64.1(3) . . . . ?
O4 P2 C20 C19 93.7(4) . . . . ?
O4 P2 C20 C21 -82.5(4) . . . . ?
O4 C30 C31 C32 174.7(4) . . . . ?
O4 C30 C31 C35 -5.3(6) . . . . ?
O5 P2 O4 C30 17.8(4) . . . . ?
O5 P2 C20 C19 -16.7(5) . . . . ?
O5 P2 C20 C21 167.1(3) . . . . ?
O5 C30' C31' C32' 179.7(4) . . . . ?
O5 C30' C31' C35' 3.2(7) . . . . ?
O6 C20' C21' C22' -180.0(5) . . . . ?
C1 C1' C2' O3 5.2(6) . . . . ?
C1 C1' C2' C3' -174.0(4) . . . . ?
C1 C1' C9' C8' -6.5(6) . . . . ?
C1 C1' C9' C10' 174.7(4) . . . . ?
C1 C2 C3 C4 -0.7(8) . . . . ?
C1 C9 C10 C4 -3.2(7) . . . . ?
C1 C9 C10 C5 176.2(5) . . . . ?
C1' C1 C2 P1 -0.9(7) . . . . ?
C1' C1 C2 C3 177.0(5) . . . . ?
C1' C1 C9 C8 3.5(7) . . . . ?
C1' C1 C9 C10 -175.1(4) . . . . ?
C1' C2' C3' C4' -0.3(7) . . . . ?
C1' C9' C10' C4' -1.3(7) . . . . ?
C1' C9' C10' C5' 178.6(4) . . . . ?
C2 P1 O1 C12 -99.2(4) . . . . ?
C2 P1 O2 C12' 175.2(3) . . . . ?
C2 C1 C1' C2' -89.5(6) . . . . ?
C2 C1 C1' C9' 94.5(6) . . . . ?
C2 C1 C9 C8 -177.6(5) . . . . ?
C2 C1 C9 C10 3.8(7) . . . . ?
C2 C3 C4 C10 1.4(9) . . . . ?
C2' C1' C9' C8' 177.5(4) . . . . ?
C2' C1' C9' C10' -1.3(6) . . . . ?
C2' C3' C4' C10' -2.3(7) . . . . ?
C3 C4 C10 C5 -178.9(5) . . . . ?
C3 C4 C10 C9 0.5(8) . . . . ?
C3' C4' C10' C5' -176.8(5) . . . . ?
C3' C4' C10' C9' 3.1(7) . . . . ?
C5 C6 C7 C8 -0.4(9) . . . . ?
C5' C6' C7' C8' 0.5(9) . . . . ?
C6 C5 C10 C4 180.0(6) . . . . ?
C6 C5 C10 C9 0.6(8) . . . . ?
C6 C7 C8 C9 -1.5(8) . . . . ?
C6' C5' C10' C4' 178.5(5) . . . . ?
C6' C5' C10' C9' -1.4(8) . . . . ?
C6' C7' C8' C9' -2.1(8) . . . . ?
C7 C8 C9 C1 -175.8(5) . . . . ?
C7 C8 C9 C10 2.9(7) . . . . ?
C7' C8' C9' C1' -176.8(5) . . . . ?
C7' C8' C9' C10' 1.9(7) . . . . ?
C8 C9 C10 C4 178.2(5) . . . . ?
C8 C9 C10 C5 -2.4(7) . . . . ?
C8' C9' C10' C4' 179.9(5) . . . . ?
C8' C9' C10' C5' -0.2(7) . . . . ?
C9 C1 C1' C2' 89.4(6) . . . . ?
C9 C1 C1' C9' -86.6(6) . . . . ?
C9 C1 C2 P1 -179.7(4) . . . . ?
C9 C1 C2 C3 -1.8(7) . . . . ?
C9' C1' C2' O3 -178.7(4) . . . . ?
C9' C1' C2' C3' 2.1(6) . . . . ?
C10 C5 C6 C7 0.9(9) . . . . ?
C10' C5' C6' C7' 1.3(9) . . . . ?
C11 C11' C12' O2 -1.5(6) . . . . ?
C11 C11' C12' C13' 176.0(4) . . . . ?
C11 C11' C16' C15' -176.6(5) . . . . ?
C11 C12 C13 C14 4.9(7) . . . . ?
C11 C12 C13 C17 -172.0(4) . . . . ?
C11' C11 C12 O1 -2.6(7) . . . . ?
C11' C11 C12 C13 169.0(4) . . . . ?
C11' C11 C16 C15 -172.2(5) . . . . ?
C11' C12' C13' C14' 1.9(7) . . . . ?
C11' C12' C13' C17' -177.9(5) . . . . ?
C12 C11 C11' C12' 44.0(7) . . . . ?
C12 C11 C11' C16' -137.9(5) . . . . ?
C12 C11 C16 C15 4.0(8) . . . . ?
C12 C13 C14 C15 0.3(8) . . . . ?
C12' C11' C16' C15' 1.7(7) . . . . ?
C12' C13' C14' C15' -1.3(7) . . . . ?
C13 C14 C15 C16 -3.2(9) . . . . ?
C13' C14' C15' C16' 0.9(8) . . . . ?
C14 C15 C16 C11 0.9(9) . . . . ?
C14' C15' C16' C11' -1.1(8) . . . . ?
C16 C11 C11' C12' -140.1(5) . . . . ?
C16 C11 C11' C16' 38.0(7) . . . . ?
C16 C11 C12 O1 -178.6(4) . . . . ?
C16 C11 C12 C13 -7.0(7) . . . . ?
C16' C11' C12' O2 -179.6(4) . . . . ?
C16' C11' C12' C13' -2.1(7) . . . . ?
C17 C13 C14 C15 177.2(5) . . . . ?
C17' C13' C14' C15' 178.6(5) . . . . ?
C18 O3 C2' C1' 171.7(4) . . . . ?
C18 O3 C2' C3' -9.0(7) . . . . ?
C19 C19' C20' O6 1.2(6) . . . . ?
C19 C19' C20' C21' -177.4(4) . . . . ?
C19 C19' C27' C26' 1.1(6) . . . . ?
C19 C19' C27' C28' 179.8(4) . . . . ?
C19 C20 C21 C22 -0.1(8) . . . . ?
C19 C27 C28 C22 0.4(7) . . . . ?
C19 C27 C28 C23 -178.5(5) . . . . ?
C19' C19 C20 P2 3.3(7) . . . . ?
C19' C19 C20 C21 179.1(4) . . . . ?
C19' C19 C27 C26 1.5(7) . . . . ?
C19' C19 C27 C28 -179.4(4) . . . . ?
C19' C20' C21' C22' -1.5(7) . . . . ?
C19' C27' C28' C22' -3.4(6) . . . . ?
C19' C27' C28' C23' 179.4(4) . . . . ?
C20 P2 O4 C30 -93.9(4) . . . . ?
C20 P2 O5 C30' 174.0(3) . . . . ?
C20 C19 C19' C20' -96.0(5) . . . . ?
C20 C19 C19' C27' 87.0(6) . . . . ?
C20 C19 C27 C26 -179.3(4) . . . . ?
C20 C19 C27 C28 -0.1(6) . . . . ?
C20 C21 C22 C28 0.4(8) . . . . ?
C20' C19' C27' C26' -175.9(4) . . . . ?
C20' C19' C27' C28' 2.9(6) . . . . ?
C20' C21' C22' C28' 0.8(8) . . . . ?
C21 C22 C28 C23 178.3(5) . . . . ?
C21 C22 C28 C27 -0.6(8) . . . . ?
C21' C22' C28' C23' 178.6(5) . . . . ?
C21' C22' C28' C27' 1.6(7) . . . . ?
C23 C24 C25 C26 1.7(10) . . . . ?
C23' C24' C25' C26' -2.1(10) . . . . ?
C24 C23 C28 C22 179.6(6) . . . . ?
C24 C23 C28 C27 -1.6(8) . . . . ?
C24 C25 C26 C27 -2.5(9) . . . . ?
C24' C23' C28' C22' -176.8(6) . . . . ?
C24' C23' C28' C27' 0.1(9) . . . . ?
C24' C25' C26' C27' 0.4(9) . . . . ?
C25 C26 C27 C19 -179.5(5) . . . . ?
C25 C26 C27 C28 1.3(8) . . . . ?
C25' C26' C27' C19' -179.8(5) . . . . ?
C25' C26' C27' C28' 1.5(7) . . . . ?
C26 C27 C28 C22 179.6(5) . . . . ?
C26 C27 C28 C23 0.7(7) . . . . ?
C26' C27' C28' C22' 175.4(4) . . . . ?
C26' C27' C28' C23' -1.8(7) . . . . ?
C27 C19 C19' C20' 83.1(5) . . . . ?
C27 C19 C19' C27' -93.9(5) . . . . ?
C27 C19 C20 P2 -175.9(3) . . . . ?
C27 C19 C20 C21 0.0(7) . . . . ?
C27' C19' C20' O6 178.2(4) . . . . ?
C27' C19' C20' C21' -0.4(7) . . . . ?
C28 C23 C24 C25 0.3(10) . . . . ?
C28' C23' C24' C25' 1.8(10) . . . . ?
C29 C29' C30' O5 -2.2(6) . . . . ?
C29 C29' C30' C31' 174.4(4) . . . . ?
C29 C29' C34' C33' -177.2(4) . . . . ?
C29 C30 C31 C32 2.3(7) . . . . ?
C29 C30 C31 C35 -177.7(5) . . . . ?
C29' C29 C30 O4 1.4(7) . . . . ?
C29' C29 C30 C31 173.4(4) . . . . ?
C29' C29 C34 C33 -176.4(5) . . . . ?
C29' C30' C31' C32' 3.1(6) . . . . ?
C29' C30' C31' C35' -173.3(4) . . . . ?
C30 C29 C29' C30' 45.0(7) . . . . ?
C30 C29 C29' C34' -138.9(5) . . . . ?
C30 C29 C34 C33 -0.8(8) . . . . ?
C30 C31 C32 C33 0.2(8) . . . . ?
C30' C29' C34' C33' -0.9(7) . . . . ?
C30' C31' C32' C33' -1.9(6) . . . . ?
C31 C32 C33 C34 -2.9(10) . . . . ?
C31' C32' C33' C34' -0.5(7) . . . . ?
C32 C33 C34 C29 3.2(9) . . . . ?
C32' C33' C34' C29' 2.0(7) . . . . ?
C34 C29 C29' C30' -139.8(5) . . . . ?
C34 C29 C29' C34' 36.3(6) . . . . ?
C34 C29 C30 O4 -174.0(4) . . . . ?
C34 C29 C30 C31 -2.0(7) . . . . ?
C34' C29' C30' O5 -178.3(4) . . . . ?
C34' C29' C30' C31' -1.7(7) . . . . ?
C35 C31 C32 C33 -179.8(5) . . . . ?
C35' C31' C32' C33' 174.5(5) . . . . ?
C36 O6 C20' C19' -170.9(6) . . . . ?
C36 O6 C20' C21' 7.6(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.035 0.243 -0.204 369.9 116.7 ?
2 -0.661 0.743 0.623 369.9 114.8 ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 3 -1 0.0571 0.0002 2.9982 -1.0008 0.0424 0.2222 0.0997
0 -3 1 0.0571 -0.0002 -2.9982 1.0008 -0.0424 -0.2222 -0.0997
-2 1 0 0.0827 -1.9999 0.9999 -0.0012 -0.2539 0.1242 0.0574
0 -1 -3 0.0896 0.0007 -1.0011 -2.9999 -0.0079 0.2162 -0.2658
7 0 -1 0.1049 6.9998 -0.0018 -0.9969 0.9378 -0.1901 -0.0730
-2 -1 1 0.0805 -2.0001 -0.9987 0.9994 -0.2828 -0.0529 0.0142
0 -1 0 0.0697 0.0000 -0.9996 0.0003 -0.0135 -0.0450 -0.0565
1 0 1 0.0863 0.9997 0.0003 1.0005 0.1318 -0.1267 0.0693
0 1 1 0.0545 -0.0002 1.0001 0.9998 0.0117 -0.0420 0.1263
1 0 -1 0.1111 1.0002 -0.0007 -0.9996 0.1356 0.0475 -0.0702

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ljh150040_fa_b
_database_code_depnum_ccdc_archive 'CCDC 1483871'
_audit_update_record             
;
2016-06-07 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2015-04-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C70 H54 O6 P2 Rh, B F4'
_chemical_formula_sum            'C70 H54 B F4 O6 P2 Rh'
_chemical_formula_weight         1242.79
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C70 H54 B1 F4 O6 P2 Rh1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   11.7059(2)
_cell_length_b                   16.9283(3)
_cell_length_c                   17.9950(4)
_cell_angle_alpha                73.4211(18)
_cell_angle_beta                 73.7906(17)
_cell_angle_gamma                89.1816(15)
_cell_volume                     3273.51(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    28957
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      66.6540
_cell_measurement_theta_min      3.2230
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.070
_exptl_absorpt_correction_T_max  0.820
_exptl_absorpt_correction_T_min  0.696
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_av_unetI/netI     0.0517
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            89533
_diffrn_reflns_point_group_measured_fraction_full 0.949
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         66.976
_diffrn_reflns_theta_min         2.675
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -37.00    5.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -        2.0000   98.0000  100.5628 42

#__ type_ start__ end____ width___ exp.time_
  2 omega -112.00  -68.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.5905  -57.0000    0.0000 44

#__ type_ start__ end____ width___ exp.time_
  3 omega  -65.00  -12.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.5905  -57.0000    0.0000 53

#__ type_ start__ end____ width___ exp.time_
  4 omega    9.00   62.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       41.5905   77.0000  120.0000 53

#__ type_ start__ end____ width___ exp.time_
  5 omega   48.00   75.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       41.5905   77.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
  6 omega   11.00   38.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       41.5905   77.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
  7 omega   -3.00   96.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       41.5905 -125.0000   90.0000 99

#__ type_ start__ end____ width___ exp.time_
  8 omega   68.00  119.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       41.5905   77.0000  120.0000 51

#__ type_ start__ end____ width___ exp.time_
  9 omega   12.00   83.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   77.0000 -163.8401 71

#__ type_ start__ end____ width___ exp.time_
 10 omega   61.00  126.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   79.0000  -98.9354 65

#__ type_ start__ end____ width___ exp.time_
 11 omega   12.00   59.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   79.0000  -98.9354 47

#__ type_ start__ end____ width___ exp.time_
 12 omega   20.00   55.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   79.0000  -58.9588 35

#__ type_ start__ end____ width___ exp.time_
 13 omega   20.00   56.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   79.0000   30.2566 36

#__ type_ start__ end____ width___ exp.time_
 14 omega   89.00  134.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   79.0000   30.2566 45

#__ type_ start__ end____ width___ exp.time_
 15 omega   24.00   51.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   79.0000  160.6389 27

#__ type_ start__ end____ width___ exp.time_
 16 omega   32.00   86.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   78.0000 -137.8808 54

#__ type_ start__ end____ width___ exp.time_
 17 omega   32.00   59.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   78.0000  126.2345 27

#__ type_ start__ end____ width___ exp.time_
 18 omega   32.00   63.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   78.0000 -104.9111 31

#__ type_ start__ end____ width___ exp.time_
 19 omega   32.00   59.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   78.0000   51.0793 27

#__ type_ start__ end____ width___ exp.time_
 20 omega   33.00   60.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   79.0000   76.2529 27

#__ type_ start__ end____ width___ exp.time_
 21 omega   36.00   62.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   78.0000    1.2285 26

#__ type_ start__ end____ width___ exp.time_
 22 omega   36.00   70.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   78.0000 -164.3615 34

#__ type_ start__ end____ width___ exp.time_
 23 omega   85.00  144.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   78.0000  -43.5443 59

#__ type_ start__ end____ width___ exp.time_
 24 omega   37.00   67.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   79.0000  -87.8589 30

#__ type_ start__ end____ width___ exp.time_
 25 omega  120.00  146.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   78.0000    1.2285 26

#__ type_ start__ end____ width___ exp.time_
 26 omega   36.00   62.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   78.0000  -43.5443 26

#__ type_ start__ end____ width___ exp.time_
 27 omega  103.00  131.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   79.0000  140.4699 28

#__ type_ start__ end____ width___ exp.time_
 28 omega   40.00   66.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   79.0000  140.4699 26

#__ type_ start__ end____ width___ exp.time_
 29 omega  114.00  153.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   78.0000   52.1063 39

#__ type_ start__ end____ width___ exp.time_
 30 omega   40.00   68.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   78.0000   52.1063 28

#__ type_ start__ end____ width___ exp.time_
 31 omega   41.00   78.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   79.0000  163.4249 37

#__ type_ start__ end____ width___ exp.time_
 32 omega  126.00  153.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   78.0000   16.2987 27

#__ type_ start__ end____ width___ exp.time_
 33 omega   41.00   68.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   78.0000   84.0260 27

#__ type_ start__ end____ width___ exp.time_
 34 omega   40.00   67.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   78.0000   16.2987 27

#__ type_ start__ end____ width___ exp.time_
 35 omega   95.00  122.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -92.0000 -144.1488 27

#__ type_ start__ end____ width___ exp.time_
 36 omega   20.00  117.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -61.0000 -120.0000 97

#__ type_ start__ end____ width___ exp.time_
 37 omega   41.00   81.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -92.0000 -144.1488 40

#__ type_ start__ end____ width___ exp.time_
 38 omega   95.00  130.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -92.0000  149.7485 35

#__ type_ start__ end____ width___ exp.time_
 39 omega   60.00  172.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  -90.0000 112

#__ type_ start__ end____ width___ exp.time_
 40 omega   42.00   80.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -92.0000  149.7485 38

#__ type_ start__ end____ width___ exp.time_
 41 omega   48.00  132.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -93.0000  -18.7654 84

#__ type_ start__ end____ width___ exp.time_
 42 omega   79.00  122.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -61.0000  -30.0000 43

#__ type_ start__ end____ width___ exp.time_
 43 omega   27.00   62.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -61.0000  -30.0000 35

#__ type_ start__ end____ width___ exp.time_
 44 omega   43.00  126.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -92.0000  106.8879 83

#__ type_ start__ end____ width___ exp.time_
 45 omega    9.00   42.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -92.0000  106.8879 33

#__ type_ start__ end____ width___ exp.time_
 46 omega   60.00  151.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   30.0000 91

#__ type_ start__ end____ width___ exp.time_
 47 omega  145.00  171.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   90.0000 26

#__ type_ start__ end____ width___ exp.time_
 48 omega   60.00  121.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   90.0000 61

#__ type_ start__ end____ width___ exp.time_
 49 omega   60.00  131.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  150.0000 71

#__ type_ start__ end____ width___ exp.time_
 50 omega   95.00  166.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -150.0000 71

#__ type_ start__ end____ width___ exp.time_
 51 omega   60.00   88.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -150.0000 28

#__ type_ start__ end____ width___ exp.time_
 52 omega   94.00  150.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   60.0000 56

#__ type_ start__ end____ width___ exp.time_
 53 omega   60.00  120.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  -30.0000 60

#__ type_ start__ end____ width___ exp.time_
 54 omega   60.00   86.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
 55 omega   60.00  167.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -180.0000 107

#__ type_ start__ end____ width___ exp.time_
 56 omega   71.00  138.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   61.0000  -90.0000 67

#__ type_ start__ end____ width___ exp.time_
 57 omega  131.00  158.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000    0.0000 27

#__ type_ start__ end____ width___ exp.time_
 58 omega   60.00  130.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000    0.0000 70

#__ type_ start__ end____ width___ exp.time_
 59 omega   74.00  101.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000  -30.0000 27

#__ type_ start__ end____ width___ exp.time_
 60 omega   42.00   69.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -94.0000 -180.0000 27

#__ type_ start__ end____ width___ exp.time_
 61 omega   42.00   77.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000 -180.0000 35

#__ type_ start__ end____ width___ exp.time_
 62 omega  102.00  165.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -120.0000 63

#__ type_ start__ end____ width___ exp.time_
 63 omega   60.00   86.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
 64 omega   71.00  108.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -93.0000   34.3726 37

#__ type_ start__ end____ width___ exp.time_
 65 omega   16.00   59.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -30.0000  120.0000 43

#__ type_ start__ end____ width___ exp.time_
 66 omega  127.00  156.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  120.0000 29

#__ type_ start__ end____ width___ exp.time_
 67 omega   20.00   91.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000 -125.0000   60.0000 71

#__ type_ start__ end____ width___ exp.time_
 68 omega   67.00  161.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000    0.0000 94

#__ type_ start__ end____ width___ exp.time_
 69 omega   33.00   84.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000 -125.0000 -120.0000 51

#__ type_ start__ end____ width___ exp.time_
 70 omega   20.00   76.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000 -120.0000 56

#__ type_ start__ end____ width___ exp.time_
 71 omega   60.00   95.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  120.0000 35

#__ type_ start__ end____ width___ exp.time_
 72 omega   45.00   72.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000   60.0000 27

#__ type_ start__ end____ width___ exp.time_
 73 omega  103.00  157.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000  -30.0000 54

#__ type_ start__ end____ width___ exp.time_
 74 omega   73.00  131.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   61.0000 -120.0000 58

#__ type_ start__ end____ width___ exp.time_
 75 omega   60.00   86.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  -60.0000 26

#__ type_ start__ end____ width___ exp.time_
 76 omega   72.00  117.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   61.0000   90.0000 45

#__ type_ start__ end____ width___ exp.time_
 77 omega  120.00  159.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   61.0000   90.0000 39

#__ type_ start__ end____ width___ exp.time_
 78 omega   72.00  164.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000  150.0000 92

#__ type_ start__ end____ width___ exp.time_
 79 omega   22.00   49.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000    0.0000 27

#__ type_ start__ end____ width___ exp.time_
 80 omega  -99.00  -18.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.5905  125.0000   90.0000 81

#__ type_ start__ end____ width___ exp.time_
 81 omega   28.00  142.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   79.0000 -128.1054 114

#__ type_ start__ end____ width___ exp.time_
 82 omega   28.00  142.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   79.0000  -27.7042 114

#__ type_ start__ end____ width___ exp.time_
 83 omega   32.00  145.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   78.0000  108.9730 113

#__ type_ start__ end____ width___ exp.time_
 84 omega   32.00  145.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   78.0000   42.2677 113

#__ type_ start__ end____ width___ exp.time_
 85 omega   32.00  145.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   77.0000  -70.8638 113

#__ type_ start__ end____ width___ exp.time_
 86 omega   32.00  145.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   77.0000 -176.5539 113
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0922706000
_diffrn_orient_matrix_UB_12      -0.0728668000
_diffrn_orient_matrix_UB_13      0.0212013000
_diffrn_orient_matrix_UB_21      0.0921635000
_diffrn_orient_matrix_UB_22      -0.0611362000
_diffrn_orient_matrix_UB_23      0.0226092000
_diffrn_orient_matrix_UB_31      -0.0432712000
_diffrn_orient_matrix_UB_32      0.0037027000
_diffrn_orient_matrix_UB_33      0.0879495000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage         0.943
_reflns_Friedel_fraction_full    0.921
_reflns_Friedel_fraction_max     0.935
_reflns_number_gt                19815
_reflns_number_total             22461
_reflns_odcompleteness_completeness 99.61
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.811
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details 
;
 Flack x determined using 8658 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.026(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1574
_refine_ls_number_reflns         22461
_refine_ls_number_restraints     292
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0455
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0724P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1155
_refine_special_details          
;
There are anomalous electron density peaks that 
appear in positions that are clearly not the result of 
disorder. Whether this is the result of polymeric 
intergrowth could not be determined as attempts to 
increase the temperature to perhaps induce a phase 
change resulted in solvent loss and decomposition 
of the crystal. One ligand has been modelled as 
disordered over two positions. The occupancies of 
the two parts were refined with isotropic atom 
treatment. Upon convergence, the occupancies 
were fixed before anisotropy was introduced to the 
model. Restraints were applied as appropriate to 
model this disorder. The structure contains solvent 
accessible channels. The contents (hexane 
molecules) could not be modelled sensibly therefore 
the solvent mask routine was applied.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 P4-O14 \\sim P4-O11
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C71) = Uanis(C79)
Uanis(C67) = Uanis(C75)
Uanis(C66) = Uanis(C74)
Uanis(C65) = Uanis(C73)
Uanis(C70) = Uanis(C78)
Uanis(C69) = Uanis(C77)
Uanis(C68) = Uanis(C76)
Uanis(O10) = Uanis(O13)
Uanis(O11) = Uanis(O14)
Uanis(C66') = Uanis(C74')
Uanis(C65') = Uanis(C73')
Uanis(C70') = Uanis(C78')
Uanis(C69') = Uanis(C77')
Uanis(C68') = Uanis(C76')
Uanis(C67') = Uanis(C75')
Uanis(C71') = Uanis(C79')
4. Rigid body (RIGU) restrains
 C65, C65', C66, C67, C68, C70, C70', C71, C73, C73', C74, C75, C76, C77, C78,
 C78', C79, C69, O10, C66', C69', O13, C74', C77', O11, C67', C68', C71', O14,
 C75', C76', C79'
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Same fragment restrains
{O10, O11, C65, C65', C66, C66', C67, C67', C68, C68', C69, C69', C70, C70',
C71, C71'} sigma for 1-2: 0.02, 1-3: 0.02
as
{O13, O14, C73, C73', C74, C74', C75, C75', C76, C76', C77, C77', C78, C78',
C79, C79'}
6. Others
 Fixed Sof: O10(0.71533) O11(0.71533) C65(0.71533) C65'(0.71533) C66(0.71533)
 C66'(0.71533) C67(0.71533) C67'(0.71533) C68(0.71533) H68(0.71533)
 C68'(0.71533) H68'(0.71533) C69(0.71533) H69(0.71533) C69'(0.71533)
 H69'(0.71533) C70(0.71533) H70(0.71533) C70'(0.71533) H70'(0.71533)
 C71(0.71533) H71A(0.71533) H71B(0.71533) H71C(0.71533) C71'(0.71533)
 H71D(0.71533) H71E(0.71533) H71F(0.71533) O13(0.28467) O14(0.28467)
 C73(0.28467) C73'(0.28467) C74(0.28467) C74'(0.28467) C75(0.28467)
 C75'(0.28467) C76(0.28467) H76(0.28467) C76'(0.28467) H76'(0.28467)
 C77(0.28467) H77(0.28467) C77'(0.28467) H77'(0.28467) C78(0.28467)
 H78(0.28467) C78'(0.28467) H78'(0.28467) C79(0.28467) H79A(0.28467)
 H79B(0.28467) H79C(0.28467) C79'(0.28467) H79D(0.28467) H79E(0.28467)
 H79F(0.28467)
7.a Ternary CH refined with riding coordinates:
 C21'(H21'), C22'(H22'), C57'(H57'), C58'(H58')
7.b Me refined with riding coordinates:
 C79(H79A,H79B,H79C)
7.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C3'(H3'), C4(H4), C4'(H4'), C5(H5), C5'(H5'), C6(H6), C6'(H6'),
 C7(H7), C7'(H7'), C8(H8), C8'(H8'), C14(H14), C14'(H14'), C15(H15), C15'(H15'),
  C16(H16), C16'(H16'), C21(H21), C22(H22), C23(H23), C23'(H23'), C24(H24),
 C24'(H24'), C25(H25), C25'(H25'), C26(H26), C26'(H26'), C32(H32), C32'(H32'),
 C33(H33), C33'(H33'), C34(H34), C34'(H34'), C39(H39), C39'(H39'), C40(H40),
 C40'(H40'), C41(H41), C41'(H41'), C42(H42), C42'(H42'), C43(H43), C43'(H43'),
 C44(H44), C44'(H44'), C50(H50), C50'(H50'), C51(H51), C51'(H51'), C52(H52),
 C52'(H52'), C57(H57), C58(H58), C59(H59), C59'(H59'), C60(H60), C60'(H60'),
 C61(H61), C61'(H61'), C62(H62), C62'(H62'), C68(H68), C68'(H68'), C69(H69),
 C69'(H69'), C70(H70), C70'(H70'), C76(H76), C76'(H76'), C77(H77), C77'(H77'),
 C78(H78), C78'(H78')
7.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C17'(H17D,H17E,H17F), C18(H18A,H18B,H18C), C35(H35A,H35B,
 H35C), C35'(H35D,H35E,H35F), C36(H36A,H36B,H36C), C53(H53A,H53B,H53C),
 C53'(H53D,H53E,H53F), C54(H54A,H54B,H54C), C72(H72A,H72B,H72C), C71(H71A,H71B,
 H71C), C71'(H71D,H71E,H71F), C79'(H79D,H79E,H79F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.61325(3) 0.31972(3) 0.55598(3) 0.02896(13) Uani 1 1 d . . . . .
Rh2 Rh 0.32703(3) 0.86843(3) 0.38995(3) 0.02937(13) Uani 1 1 d . . . . .
P1 P 0.45569(14) 0.24291(10) 0.64512(10) 0.0276(3) Uani 1 1 d . . . . .
P2 P 0.53872(15) 0.36273(11) 0.45295(11) 0.0283(4) Uani 1 1 d . . . . .
P3 P 0.48511(14) 0.84488(10) 0.29938(10) 0.0285(4) Uani 1 1 d . . . . .
P4 P 0.40222(15) 0.85071(11) 0.49074(11) 0.0286(4) Uani 1 1 d D . . . .
F1 F 0.8851(6) 0.4734(4) 0.8069(4) 0.086(2) Uani 1 1 d . . . . .
F2 F 0.9087(6) 0.4988(4) 0.6743(5) 0.100(2) Uani 1 1 d . . . . .
F3 F 0.7249(4) 0.4847(4) 0.7587(4) 0.0714(15) Uani 1 1 d . . . . .
F4 F 0.8394(6) 0.3762(4) 0.7552(5) 0.090(2) Uani 1 1 d . . . . .
F5 F 0.2084(4) 0.1556(4) 0.1833(4) 0.0791(17) Uani 1 1 d . . . . .
F6 F 0.0431(5) 0.1736(3) 0.1412(4) 0.0701(15) Uani 1 1 d . . . . .
F7 F 0.0950(7) 0.0444(4) 0.1926(5) 0.092(2) Uani 1 1 d . . . . .
F8 F 0.0293(5) 0.1190(5) 0.2749(4) 0.094(2) Uani 1 1 d . . . . .
O1 O 0.4015(4) 0.2577(3) 0.7319(3) 0.0297(11) Uani 1 1 d . . . . .
O2 O 0.3427(4) 0.2463(3) 0.6111(3) 0.0309(10) Uani 1 1 d . . . . .
O3 O 0.6102(4) 0.1599(3) 0.8176(3) 0.0366(11) Uani 1 1 d . . . . .
O4 O 0.5007(4) 0.2877(3) 0.4255(3) 0.0338(11) Uani 1 1 d . . . . .
O5 O 0.4338(4) 0.4239(3) 0.4418(3) 0.0303(10) Uani 1 1 d . . . . .
O6 O 0.7575(5) 0.5041(3) 0.5060(3) 0.0392(11) Uani 1 1 d . . . . .
O7 O 0.5375(4) 0.9122(3) 0.2135(3) 0.0296(11) Uani 1 1 d . . . . .
O8 O 0.5994(4) 0.8274(3) 0.3325(3) 0.0310(10) Uani 1 1 d . . . . .
O9 O 0.3300(4) 0.8713(3) 0.1289(3) 0.0401(12) Uani 1 1 d . . . . .
O12 O 0.1819(4) 1.0246(3) 0.4379(3) 0.0387(11) Uani 1 1 d . . . . .
C1 C 0.4703(5) 0.0818(4) 0.7532(4) 0.0281(13) Uani 1 1 d . . . . .
C1' C 0.4184(6) 0.1063(4) 0.8291(4) 0.0273(13) Uani 1 1 d . . . . .
C2 C 0.4877(5) 0.1350(4) 0.6754(4) 0.0278(13) Uani 1 1 d . . . . .
C2' C 0.4901(6) 0.1456(4) 0.8603(4) 0.0310(14) Uani 1 1 d . . . . .
C3 C 0.5382(6) 0.1056(4) 0.6071(4) 0.0360(15) Uani 1 1 d . . . . .
H3 H 0.5545 0.1419 0.5551 0.043 Uiso 1 1 calc R . . . .
C3' C 0.4400(6) 0.1698(4) 0.9297(4) 0.0367(16) Uani 1 1 d . . . . .
H3' H 0.4887 0.1961 0.9496 0.044 Uiso 1 1 calc R . . . .
C4 C 0.5627(6) 0.0250(4) 0.6175(5) 0.0376(16) Uani 1 1 d . . . . .
H4 H 0.5944 0.0071 0.5722 0.045 Uiso 1 1 calc R . . . .
C4' C 0.3207(7) 0.1557(4) 0.9691(5) 0.0397(16) Uani 1 1 d . . . . .
H4' H 0.2886 0.1733 1.0146 0.048 Uiso 1 1 calc R . . . .
C5 C 0.5628(6) -0.1156(4) 0.7062(5) 0.0367(17) Uani 1 1 d . . . . .
H5 H 0.5911 -0.1347 0.6613 0.044 Uiso 1 1 calc R . . . .
C5' C 0.1224(7) 0.0958(5) 0.9820(5) 0.0462(18) Uani 1 1 d . . . . .
H5' H 0.0894 0.1140 1.0270 0.055 Uiso 1 1 calc R . . . .
C6 C 0.5431(8) -0.1702(5) 0.7814(6) 0.051(2) Uani 1 1 d . . . . .
H6 H 0.5595 -0.2253 0.7882 0.061 Uiso 1 1 calc R . . . .
C6' C 0.0515(7) 0.0516(6) 0.9567(6) 0.054(2) Uani 1 1 d . . . . .
H6' H -0.0283 0.0374 0.9855 0.064 Uiso 1 1 calc R . . . .
C7 C 0.4985(8) -0.1412(5) 0.8464(5) 0.050(2) Uani 1 1 d . . . . .
H7 H 0.4820 -0.1787 0.8977 0.060 Uiso 1 1 calc R . . . .
C7' C 0.1016(7) 0.0284(5) 0.8866(5) 0.0456(19) Uani 1 1 d . . . . .
H7' H 0.0533 -0.0003 0.8684 0.055 Uiso 1 1 calc R . . . .
C8 C 0.4766(7) -0.0613(5) 0.8409(5) 0.0445(18) Uani 1 1 d . . . . .
H8 H 0.4491 -0.0447 0.8874 0.053 Uiso 1 1 calc R . . . .
C8' C 0.2190(7) 0.0466(4) 0.8441(5) 0.0376(16) Uani 1 1 d . . . . .
H8' H 0.2489 0.0314 0.7970 0.045 Uiso 1 1 calc R . . . .
C9 C 0.4963(6) -0.0030(4) 0.7629(4) 0.0317(14) Uani 1 1 d . . . . .
C9' C 0.2954(6) 0.0880(4) 0.8710(4) 0.0306(14) Uani 1 1 d . . . . .
C10 C 0.5417(5) -0.0310(4) 0.6939(5) 0.0325(15) Uani 1 1 d . . . . .
C10' C 0.2464(6) 0.1141(4) 0.9401(4) 0.0365(16) Uani 1 1 d . . . . .
C11 C 0.2022(6) 0.3046(4) 0.7445(5) 0.0373(16) Uani 1 1 d . . . . .
C11' C 0.1611(6) 0.2374(4) 0.7189(5) 0.0380(17) Uani 1 1 d . . . . .
C12 C 0.3187(5) 0.3152(4) 0.7490(4) 0.0288(14) Uani 1 1 d . . . . .
C12' C 0.2291(6) 0.2070(4) 0.6582(4) 0.0327(15) Uani 1 1 d . . . . .
C13 C 0.3566(6) 0.3744(4) 0.7770(4) 0.0351(15) Uani 1 1 d . . . . .
C13' C 0.1876(6) 0.1453(4) 0.6333(5) 0.0403(17) Uani 1 1 d . . . . .
C14 C 0.2711(7) 0.4275(5) 0.8029(5) 0.0426(17) Uani 1 1 d . . . . .
H14 H 0.2928 0.4677 0.8235 0.051 Uiso 1 1 calc R . . . .
C14' C 0.0714(7) 0.1130(5) 0.6715(5) 0.046(2) Uani 1 1 d . . . . .
H14' H 0.0407 0.0721 0.6557 0.056 Uiso 1 1 calc R . . . .
C15 C 0.1562(7) 0.4214(5) 0.7986(6) 0.052(2) Uani 1 1 d . . . . .
H15 H 0.1013 0.4574 0.8158 0.062 Uiso 1 1 calc R . . . .
C15' C 0.0005(7) 0.1407(5) 0.7328(6) 0.049(2) Uani 1 1 d . . . . .
H15' H -0.0776 0.1183 0.7582 0.059 Uiso 1 1 calc R . . . .
C16 C 0.1228(7) 0.3616(5) 0.7687(5) 0.0437(18) Uani 1 1 d . . . . .
H16 H 0.0457 0.3590 0.7644 0.052 Uiso 1 1 calc R . . . .
C16' C 0.0442(7) 0.2016(5) 0.7570(6) 0.0469(19) Uani 1 1 d . . . . .
H16' H -0.0043 0.2191 0.7990 0.056 Uiso 1 1 calc R . . . .
C17 C 0.4817(7) 0.3814(5) 0.7836(5) 0.0446(18) Uani 1 1 d . . . . .
H17A H 0.4799 0.3644 0.8396 0.067 Uiso 1 1 calc GR . . . .
H17B H 0.5138 0.4377 0.7592 0.067 Uiso 1 1 calc GR . . . .
H17C H 0.5308 0.3466 0.7561 0.067 Uiso 1 1 calc GR . . . .
C17' C 0.2638(7) 0.1134(5) 0.5680(5) 0.0445(18) Uani 1 1 d . . . . .
H17D H 0.3258 0.0836 0.5865 0.067 Uiso 1 1 calc GR . . . .
H17E H 0.2987 0.1589 0.5209 0.067 Uiso 1 1 calc GR . . . .
H17F H 0.2157 0.0771 0.5546 0.067 Uiso 1 1 calc GR . . . .
C18 C 0.6858(6) 0.1986(5) 0.8494(5) 0.0417(17) Uani 1 1 d . . . . .
H18A H 0.6583 0.2517 0.8523 0.063 Uiso 1 1 calc GR . . . .
H18B H 0.7661 0.2056 0.8146 0.063 Uiso 1 1 calc GR . . . .
H18C H 0.6838 0.1646 0.9026 0.063 Uiso 1 1 calc GR . . . .
C19 C 0.7677(6) 0.4306(4) 0.3841(4) 0.0293(14) Uani 1 1 d . . . . .
C19' C 0.7779(5) 0.3842(4) 0.4659(4) 0.0263(14) Uani 1 1 d . . . . .
C20 C 0.6579(6) 0.4267(4) 0.3701(4) 0.0298(14) Uani 1 1 d . . . . .
C20' C 0.7614(5) 0.4215(4) 0.5287(4) 0.0289(14) Uani 1 1 d . . . . .
C21 C 0.6444(7) 0.4702(4) 0.2923(4) 0.0377(16) Uani 1 1 d . . . . .
H21 H 0.5706 0.4684 0.2826 0.045 Uiso 1 1 calc R . . . .
C21' C 0.7424(6) 0.3719(4) 0.6098(4) 0.0323(14) Uani 1 1 d . . . . .
H21' H 0.7118 0.3953 0.6549 0.039 Uiso 1 1 calc R . . . .
C22 C 0.7389(7) 0.5136(4) 0.2333(5) 0.0432(18) Uani 1 1 d . . . . .
H22 H 0.7294 0.5406 0.1828 0.052 Uiso 1 1 calc R . . . .
C22' C 0.7527(7) 0.2864(5) 0.6242(5) 0.0388(19) Uani 1 1 d . . . . .
H22' H 0.7270 0.2508 0.6803 0.047 Uiso 1 1 calc R . . . .
C23 C 0.9514(7) 0.5675(5) 0.1813(5) 0.0443(18) Uani 1 1 d . . . . .
H23 H 0.9428 0.5952 0.1307 0.053 Uiso 1 1 calc R . . . .
C23' C 0.8292(7) 0.1660(5) 0.5753(5) 0.0441(18) Uani 1 1 d . . . . .
H23' H 0.8195 0.1331 0.6281 0.053 Uiso 1 1 calc R . . . .
C24 C 1.0595(7) 0.5708(5) 0.1980(6) 0.057(2) Uani 1 1 d . . . . .
H24 H 1.1258 0.5987 0.1568 0.068 Uiso 1 1 calc R . . . .
C24' C 0.8722(5) 0.1327(3) 0.5120(3) 0.0225(12) Uani 1 1 d . . . . .
H24' H 0.8903 0.0777 0.5219 0.027 Uiso 1 1 calc R . . . .
C25 C 1.0717(7) 0.5330(6) 0.2755(6) 0.055(2) Uani 1 1 d . . . . .
H25 H 1.1445 0.5393 0.2853 0.066 Uiso 1 1 calc R . . . .
C25' C 0.8881(7) 0.1833(5) 0.4322(6) 0.051(2) Uani 1 1 d . . . . .
H25' H 0.9200 0.1615 0.3894 0.061 Uiso 1 1 calc R . . . .
C26 C 0.9778(6) 0.4867(5) 0.3376(5) 0.0415(17) Uani 1 1 d . . . . .
H26 H 0.9883 0.4609 0.3880 0.050 Uiso 1 1 calc R . . . .
C26' C 0.8582(6) 0.2628(4) 0.4156(5) 0.0408(17) Uani 1 1 d . . . . .
H26' H 0.8680 0.2940 0.3623 0.049 Uiso 1 1 calc R . . . .
C27 C 0.8652(6) 0.4787(4) 0.3239(5) 0.0377(16) Uani 1 1 d . . . . .
C27' C 0.8127(6) 0.2983(4) 0.4784(5) 0.0296(15) Uani 1 1 d . . . . .
C28 C 0.8523(7) 0.5194(5) 0.2458(5) 0.0438(17) Uani 1 1 d . . . . .
C28' C 0.7999(6) 0.2487(4) 0.5614(5) 0.0344(16) Uani 1 1 d . . . . .
C29 C 0.3294(7) 0.3179(4) 0.3749(5) 0.046(2) Uani 1 1 d . . . . .
C29' C 0.2593(7) 0.3439(5) 0.4448(5) 0.0382(18) Uani 1 1 d . . . . .
C30 C 0.4477(7) 0.2970(4) 0.3624(4) 0.0388(17) Uani 1 1 d . . . . .
C30' C 0.3122(5) 0.3975(4) 0.4758(4) 0.0331(15) Uani 1 1 d . . . . .
C31 C 0.5154(9) 0.2780(5) 0.2936(5) 0.053(2) Uani 1 1 d . . . . .
C31' C 0.2489(7) 0.4307(5) 0.5357(5) 0.0430(18) Uani 1 1 d . . . . .
C32 C 0.4557(12) 0.2765(5) 0.2353(6) 0.066(3) Uani 1 1 d . . . . .
H32 H 0.4974 0.2645 0.1880 0.079 Uiso 1 1 calc R . . . .
C32' C 0.1265(7) 0.4087(5) 0.5661(5) 0.052(2) Uani 1 1 d . . . . .
H32' H 0.0795 0.4317 0.6044 0.062 Uiso 1 1 calc R . . . .
C33 C 0.3382(12) 0.2922(6) 0.2473(6) 0.067(3) Uani 1 1 d . . . . .
H33 H 0.3000 0.2874 0.2097 0.080 Uiso 1 1 calc R . . . .
C33' C 0.0746(7) 0.3530(6) 0.5397(6) 0.062(3) Uani 1 1 d . . . . .
H33' H -0.0060 0.3363 0.5631 0.074 Uiso 1 1 calc R . . . .
C34 C 0.2748(9) 0.3151(5) 0.3147(6) 0.059(3) Uani 1 1 d . . . . .
H34 H 0.1963 0.3287 0.3202 0.071 Uiso 1 1 calc R . . . .
C34' C 0.1400(7) 0.3220(5) 0.4798(6) 0.052(2) Uani 1 1 d . . . . .
H34' H 0.1027 0.2854 0.4625 0.062 Uiso 1 1 calc R . . . .
C35 C 0.6451(9) 0.2629(6) 0.2809(6) 0.064(2) Uani 1 1 d . . . . .
H35A H 0.6888 0.3124 0.2764 0.096 Uiso 1 1 calc GR . . . .
H35B H 0.6751 0.2471 0.2322 0.096 Uiso 1 1 calc GR . . . .
H35C H 0.6545 0.2193 0.3261 0.096 Uiso 1 1 calc GR . . . .
C35' C 0.3091(8) 0.4882(5) 0.5653(5) 0.052(2) Uani 1 1 d . . . . .
H35D H 0.3825 0.4668 0.5735 0.078 Uiso 1 1 calc GR . . . .
H35E H 0.2578 0.4931 0.6155 0.078 Uiso 1 1 calc GR . . . .
H35F H 0.3257 0.5417 0.5258 0.078 Uiso 1 1 calc GR . . . .
C36 C 0.7048(10) 0.5427(5) 0.5688(6) 0.060(2) Uani 1 1 d . . . . .
H36A H 0.7084 0.6015 0.5453 0.090 Uiso 1 1 calc GR . . . .
H36B H 0.7480 0.5302 0.6085 0.090 Uiso 1 1 calc GR . . . .
H36C H 0.6231 0.5219 0.5943 0.090 Uiso 1 1 calc GR . . . .
C37 C 0.4718(5) 0.7515(4) 0.1900(4) 0.0295(14) Uani 1 1 d . . . . .
C37' C 0.5213(6) 0.8227(4) 0.1160(4) 0.0308(14) Uani 1 1 d . . . . .
C38 C 0.4560(5) 0.7561(4) 0.2674(4) 0.0295(14) Uani 1 1 d . . . . .
C38' C 0.4489(6) 0.8824(4) 0.0867(4) 0.0334(15) Uani 1 1 d . . . . .
C39 C 0.4083(6) 0.6853(4) 0.3344(5) 0.0383(16) Uani 1 1 d . . . . .
H39 H 0.3941 0.6894 0.3867 0.046 Uiso 1 1 calc R . . . .
C39' C 0.4969(6) 0.9520(4) 0.0212(4) 0.0381(16) Uani 1 1 d . . . . .
H39' H 0.4477 0.9926 0.0043 0.046 Uiso 1 1 calc R . . . .
C40 C 0.3828(6) 0.6117(4) 0.3239(5) 0.0395(17) Uani 1 1 d . . . . .
H40 H 0.3538 0.5659 0.3687 0.047 Uiso 1 1 calc R . . . .
C40' C 0.6164(6) 0.9606(4) -0.0181(4) 0.0395(16) Uani 1 1 d . . . . .
H40' H 0.6478 1.0071 -0.0617 0.047 Uiso 1 1 calc R . . . .
C41 C 0.3780(6) 0.5284(4) 0.2330(5) 0.0398(19) Uani 1 1 d . . . . .
H41 H 0.3513 0.4817 0.2772 0.048 Uiso 1 1 calc R . . . .
C41' C 0.8148(7) 0.9081(5) -0.0353(5) 0.0456(18) Uani 1 1 d . . . . .
H41' H 0.8456 0.9540 -0.0797 0.055 Uiso 1 1 calc R . . . .
C42 C 0.3955(8) 0.5229(5) 0.1562(6) 0.052(2) Uani 1 1 d . . . . .
H42 H 0.3795 0.4721 0.1494 0.062 Uiso 1 1 calc R . . . .
C42' C 0.8894(6) 0.8485(5) -0.0110(5) 0.0435(18) Uani 1 1 d . . . . .
H42' H 0.9705 0.8544 -0.0381 0.052 Uiso 1 1 calc R . . . .
C43 C 0.4370(9) 0.5913(5) 0.0873(6) 0.058(2) Uani 1 1 d . . . . .
H43 H 0.4487 0.5859 0.0358 0.069 Uiso 1 1 calc R . . . .
C43' C 0.8406(6) 0.7782(5) 0.0562(5) 0.0461(19) Uani 1 1 d . . . . .
H43' H 0.8900 0.7371 0.0719 0.055 Uiso 1 1 calc R . . . .
C44 C 0.4597(8) 0.6662(5) 0.0976(6) 0.057(2) Uani 1 1 d . . . . .
H44 H 0.4863 0.7120 0.0525 0.068 Uiso 1 1 calc R . . . .
C44' C 0.7230(6) 0.7697(4) 0.0978(5) 0.0397(17) Uani 1 1 d . . . . .
H44' H 0.6935 0.7238 0.1425 0.048 Uiso 1 1 calc R . . . .
C45 C 0.4432(6) 0.6750(4) 0.1768(4) 0.0331(15) Uani 1 1 d . . . . .
C45' C 0.6446(6) 0.8300(4) 0.0739(4) 0.0329(14) Uani 1 1 d . . . . .
C46 C 0.4003(5) 0.6046(4) 0.2451(4) 0.0312(14) Uani 1 1 d . . . . .
C46' C 0.6923(6) 0.8997(4) 0.0067(5) 0.0378(16) Uani 1 1 d . . . . .
C47 C 0.7366(6) 0.9657(4) 0.1961(5) 0.0339(15) Uani 1 1 d . . . . .
C47' C 0.7795(6) 0.8817(4) 0.2240(5) 0.0373(16) Uani 1 1 d . . . . .
C48 C 0.6190(5) 0.9795(4) 0.1943(4) 0.0287(13) Uani 1 1 d . . . . .
C48' C 0.7134(6) 0.8167(4) 0.2846(4) 0.0346(15) Uani 1 1 d . . . . .
C49 C 0.5819(6) 1.0573(4) 0.1647(4) 0.0312(14) Uani 1 1 d . . . . .
C49' C 0.7564(7) 0.7387(4) 0.3099(5) 0.0396(17) Uani 1 1 d . . . . .
C50 C 0.6659(7) 1.1241(4) 0.1360(5) 0.0424(18) Uani 1 1 d . . . . .
H50 H 0.6442 1.1767 0.1138 0.051 Uiso 1 1 calc R . . . .
C50' C 0.8742(7) 0.7290(5) 0.2710(5) 0.0456(19) Uani 1 1 d . . . . .
H50' H 0.9072 0.6789 0.2871 0.055 Uiso 1 1 calc R . . . .
C51 C 0.7815(7) 1.1132(5) 0.1402(5) 0.049(2) Uani 1 1 d . . . . .
H51 H 0.8361 1.1587 0.1229 0.058 Uiso 1 1 calc R . . . .
C51' C 0.9422(7) 0.7931(5) 0.2091(5) 0.0490(19) Uani 1 1 d . . . . .
H51' H 1.0203 0.7853 0.1831 0.059 Uiso 1 1 calc R . . . .
C52 C 0.8160(6) 1.0350(4) 0.1700(5) 0.0408(17) Uani 1 1 d . . . . .
H52 H 0.8939 1.0285 0.1726 0.049 Uiso 1 1 calc R . . . .
C52' C 0.8970(6) 0.8684(5) 0.1847(6) 0.0472(19) Uani 1 1 d . . . . .
H52' H 0.9441 0.9107 0.1421 0.057 Uiso 1 1 calc R . . . .
C53 C 0.4555(7) 1.0703(5) 0.1610(5) 0.0415(17) Uani 1 1 d . . . . .
H53A H 0.4241 1.1117 0.1866 0.062 Uiso 1 1 calc GR . . . .
H53B H 0.4072 1.0194 0.1885 0.062 Uiso 1 1 calc GR . . . .
H53C H 0.4548 1.0881 0.1055 0.062 Uiso 1 1 calc GR . . . .
C53' C 0.6818(7) 0.6690(5) 0.3770(5) 0.0465(19) Uani 1 1 d . . . . .
H53D H 0.6335 0.6901 0.4187 0.070 Uiso 1 1 calc GR . . . .
H53E H 0.7328 0.6299 0.3990 0.070 Uiso 1 1 calc GR . . . .
H53F H 0.6313 0.6422 0.3562 0.070 Uiso 1 1 calc GR . . . .
C54 C 0.2505(7) 0.9251(5) 0.0944(6) 0.051(2) Uani 1 1 d . . . . .
H54A H 0.2482 0.9150 0.0450 0.076 Uiso 1 1 calc GR . . . .
H54B H 0.2781 0.9816 0.0833 0.076 Uiso 1 1 calc GR . . . .
H54C H 0.1719 0.9147 0.1318 0.076 Uiso 1 1 calc GR . . . .
C55 C 0.1729(5) 0.8787(4) 0.5600(4) 0.0280(13) Uani 1 1 d . . . . .
C55' C 0.1617(6) 0.8806(4) 0.4771(4) 0.0275(15) Uani 1 1 d . . . . .
C56 C 0.2818(6) 0.8655(4) 0.5741(4) 0.0326(15) Uani 1 1 d . . . . .
C56' C 0.1778(5) 0.9562(4) 0.4166(4) 0.0286(14) Uani 1 1 d . . . . .
C57 C 0.2986(6) 0.8624(4) 0.6503(5) 0.0377(16) Uani 1 1 d . . . . .
H57 H 0.3730 0.8541 0.6590 0.045 Uiso 1 1 calc R . . . .
C57' C 0.1962(6) 0.9548(4) 0.3358(4) 0.0335(15) Uani 1 1 d . . . . .
H57' H 0.2267 1.0048 0.2906 0.040 Uiso 1 1 calc R . . . .
C58 C 0.2026(7) 0.8721(5) 0.7104(5) 0.0405(17) Uani 1 1 d . . . . .
H58 H 0.2123 0.8696 0.7606 0.049 Uiso 1 1 calc R . . . .
C58' C 0.1856(6) 0.8786(5) 0.3212(5) 0.0367(17) Uani 1 1 d . . . . .
H58' H 0.2112 0.8766 0.2651 0.044 Uiso 1 1 calc R . . . .
C59 C -0.0140(7) 0.8942(5) 0.7588(5) 0.0471(19) Uani 1 1 d . . . . .
H59 H -0.0063 0.8881 0.8101 0.056 Uiso 1 1 calc R . . . .
C59' C 0.1148(7) 0.7297(5) 0.3699(5) 0.0459(19) Uani 1 1 d . . . . .
H59' H 0.1279 0.7278 0.3170 0.055 Uiso 1 1 calc R . . . .
C60 C -0.1222(8) 0.9108(6) 0.7455(6) 0.056(2) Uani 1 1 d . . . . .
H60 H -0.1873 0.9167 0.7868 0.067 Uiso 1 1 calc R . . . .
C60' C 0.0707(8) 0.6606(5) 0.4330(6) 0.054(2) Uani 1 1 d . . . . .
H60' H 0.0512 0.6126 0.4225 0.065 Uiso 1 1 calc R . . . .
C61 C -0.1327(7) 0.9187(6) 0.6673(6) 0.053(2) Uani 1 1 d . . . . .
H61 H -0.2052 0.9318 0.6569 0.064 Uiso 1 1 calc R . . . .
C61' C 0.0538(7) 0.6603(5) 0.5142(6) 0.051(2) Uani 1 1 d . . . . .
H61' H 0.0227 0.6127 0.5564 0.061 Uiso 1 1 calc R . . . .
C62 C -0.0393(6) 0.9076(5) 0.6068(5) 0.0433(18) Uani 1 1 d . . . . .
H62 H -0.0494 0.9110 0.5565 0.052 Uiso 1 1 calc R . . . .
C62' C 0.0833(6) 0.7302(4) 0.5303(5) 0.0396(17) Uani 1 1 d . . . . .
H62' H 0.0760 0.7292 0.5834 0.048 Uiso 1 1 calc R . . . .
C63 C 0.0732(6) 0.8909(4) 0.6209(4) 0.0324(15) Uani 1 1 d . . . . .
C63' C 0.1246(6) 0.8034(5) 0.4672(5) 0.0354(17) Uani 1 1 d . . . . .
C64 C 0.0859(6) 0.8861(4) 0.6976(4) 0.0358(15) Uani 1 1 d . . . . .
C64' C 0.1404(6) 0.8032(4) 0.3845(5) 0.0357(16) Uani 1 1 d . . . . .
C72 C 0.2342(9) 1.1007(5) 0.3752(5) 0.055(2) Uani 1 1 d . . . . .
H72A H 0.1996 1.1084 0.3314 0.083 Uiso 1 1 calc GR . . . .
H72B H 0.3187 1.0973 0.3557 0.083 Uiso 1 1 calc GR . . . .
H72C H 0.2188 1.1465 0.3972 0.083 Uiso 1 1 calc GR . . . .
B1 B 0.8406(8) 0.4609(6) 0.7495(6) 0.050(2) Uani 1 1 d . . . . .
B2 B 0.0930(8) 0.1253(7) 0.1991(6) 0.052(2) Uani 1 1 d . . . . .
O10 O 0.450(3) 0.7609(12) 0.5174(14) 0.0325(13) Uani 0.7153 1 d D U P A 1
O11 O 0.5023(11) 0.9073(12) 0.5020(14) 0.0286(12) Uani 0.7153 1 d D U P A 1
C65 C 0.6264(15) 0.7671(13) 0.5605(11) 0.043(2) Uani 0.7153 1 d D U P A 1
C65' C 0.6846(15) 0.8357(12) 0.4903(12) 0.040(2) Uani 0.7153 1 d D U P A 1
C66 C 0.5092(19) 0.7360(16) 0.5783(13) 0.038(3) Uani 0.7153 1 d D U P A 1
C66' C 0.6237(12) 0.9051(14) 0.4613(14) 0.034(3) Uani 0.7153 1 d D U P A 1
C67 C 0.4483(14) 0.6716(13) 0.6471(11) 0.050(3) Uani 0.7153 1 d D U P A 1
C67' C 0.6793(13) 0.9763(10) 0.4044(14) 0.043(3) Uani 0.7153 1 d D U P A 1
C68 C 0.5128(15) 0.6363(12) 0.7026(11) 0.064(4) Uani 0.7153 1 d D U P A 1
H68 H 0.4766 0.5938 0.7490 0.076 Uiso 0.7153 1 calc R . P A 1
C68' C 0.8046(11) 0.9756(10) 0.3684(11) 0.054(3) Uani 0.7153 1 d D U P A 1
H68' H 0.8461 1.0212 0.3271 0.065 Uiso 0.7153 1 calc R . P A 1
C69 C 0.6301(16) 0.6646(10) 0.6884(11) 0.062(4) Uani 0.7153 1 d D U P A 1
H69 H 0.6720 0.6404 0.7251 0.074 Uiso 0.7153 1 calc R . P A 1
C69' C 0.8643(13) 0.9067(10) 0.3954(13) 0.064(4) Uani 0.7153 1 d D U P A 1
H69' H 0.9458 0.9068 0.3715 0.077 Uiso 0.7153 1 calc R . P A 1
C70 C 0.6850(16) 0.7287(11) 0.6201(12) 0.056(3) Uani 0.7153 1 d D U P A 1
H70 H 0.7629 0.7474 0.6127 0.068 Uiso 0.7153 1 calc R . P A 1
C70' C 0.8084(14) 0.8407(10) 0.4542(14) 0.054(3) Uani 0.7153 1 d D U P A 1
H70' H 0.8521 0.7966 0.4721 0.065 Uiso 0.7153 1 calc R . P A 1
C71 C 0.3189(15) 0.6457(14) 0.6621(12) 0.060(4) Uani 0.7153 1 d D U P A 1
H71A H 0.2708 0.6908 0.6696 0.090 Uiso 0.7153 1 calc GR . P A 1
H71B H 0.2940 0.5992 0.7097 0.090 Uiso 0.7153 1 calc GR . P A 1
H71C H 0.3096 0.6306 0.6164 0.090 Uiso 0.7153 1 calc GR . P A 1
C71' C 0.6090(13) 1.0476(12) 0.3766(14) 0.051(3) Uani 0.7153 1 d D U P A 1
H71D H 0.5510 1.0300 0.3549 0.077 Uiso 0.7153 1 calc GR . P A 1
H71E H 0.6618 1.0912 0.3355 0.077 Uiso 0.7153 1 calc GR . P A 1
H71F H 0.5691 1.0672 0.4216 0.077 Uiso 0.7153 1 calc GR . P A 1
O13 O 0.443(7) 0.761(3) 0.515(4) 0.0325(13) Uani 0.2847 1 d D U P A 2
O14 O 0.507(3) 0.905(3) 0.499(4) 0.0286(12) Uani 0.2847 1 d D U P A 2
C73 C 0.608(4) 0.755(3) 0.571(3) 0.043(2) Uani 0.2847 1 d D U P A 2
C73' C 0.678(3) 0.822(3) 0.504(3) 0.040(2) Uani 0.2847 1 d D U P A 2
C74 C 0.494(5) 0.727(4) 0.579(3) 0.038(3) Uani 0.2847 1 d D U P A 2
C74' C 0.631(3) 0.897(3) 0.471(4) 0.034(3) Uani 0.2847 1 d D U P A 2
C75 C 0.418(4) 0.669(4) 0.648(3) 0.050(3) Uani 0.2847 1 d D U P A 2
C75' C 0.695(3) 0.960(3) 0.406(4) 0.043(3) Uani 0.2847 1 d D U P A 2
C76 C 0.469(4) 0.632(3) 0.710(3) 0.064(4) Uani 0.2847 1 d D U P A 2
H76 H 0.4223 0.5959 0.7581 0.076 Uiso 0.2847 1 calc R . P A 2
C76' C 0.823(3) 0.954(3) 0.381(3) 0.054(3) Uani 0.2847 1 d D U P A 2
H76' H 0.8739 0.9984 0.3461 0.065 Uiso 0.2847 1 calc R . P A 2
C77 C 0.589(4) 0.648(3) 0.701(3) 0.062(4) Uani 0.2847 1 d D U P A 2
H77 H 0.6232 0.6175 0.7398 0.074 Uiso 0.2847 1 calc R . P A 2
C77' C 0.866(3) 0.879(3) 0.412(3) 0.064(4) Uani 0.2847 1 d D U P A 2
H77' H 0.9463 0.8720 0.3910 0.077 Uiso 0.2847 1 calc R . P A 2
C78 C 0.658(4) 0.709(3) 0.634(3) 0.056(3) Uani 0.2847 1 d D U P A 2
H78 H 0.7376 0.7192 0.6299 0.068 Uiso 0.2847 1 calc R . P A 2
C78' C 0.799(4) 0.816(3) 0.468(3) 0.054(3) Uani 0.2847 1 d D U P A 2
H78' H 0.8333 0.7662 0.4849 0.065 Uiso 0.2847 1 calc R . P A 2
C79 C 0.289(4) 0.652(4) 0.653(4) 0.060(4) Uani 0.2847 1 d D U P A 2
H79A H 0.2731 0.6840 0.6043 0.090 Uiso 0.2847 1 calc R . P A 2
H79B H 0.2747 0.5943 0.6604 0.090 Uiso 0.2847 1 calc R . P A 2
H79C H 0.2385 0.6668 0.6985 0.090 Uiso 0.2847 1 calc R . P A 2
C79' C 0.640(4) 1.039(3) 0.378(4) 0.051(3) Uani 0.2847 1 d D U P A 2
H79D H 0.5569 1.0280 0.3850 0.077 Uiso 0.2847 1 calc GR . P A 2
H79E H 0.6797 1.0660 0.3224 0.077 Uiso 0.2847 1 calc GR . P A 2
H79F H 0.6474 1.0751 0.4100 0.077 Uiso 0.2847 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 P1 2.2117(16) . ?
Rh1 P2 2.2008(18) . ?
Rh1 C19' 2.200(6) . ?
Rh1 C20' 2.311(6) . ?
Rh1 C21' 2.312(6) . ?
Rh1 C22' 2.278(7) . ?
Rh1 C27' 2.445(7) . ?
Rh1 C28' 2.492(6) . ?
Rh2 P3 2.2148(18) . ?
Rh2 P4 2.1743(18) . ?
Rh2 C55' 2.174(7) . ?
Rh2 C56' 2.314(6) . ?
Rh2 C57' 2.321(6) . ?
Rh2 C58' 2.305(7) . ?
Rh2 C63' 2.474(7) . ?
Rh2 C64' 2.500(6) . ?
P1 O1 1.604(5) . ?
P1 O2 1.600(4) . ?
P1 C2 1.816(6) . ?
P2 O4 1.598(5) . ?
P2 O5 1.614(5) . ?
P2 C20 1.817(7) . ?
P3 O7 1.596(5) . ?
P3 O8 1.602(4) . ?
P3 C38 1.823(7) . ?
P4 C56 1.822(7) . ?
P4 O10 1.60(2) . ?
P4 O11 1.614(10) . ?
P4 O13 1.57(6) . ?
P4 O14 1.62(2) . ?
F1 B1 1.347(11) . ?
F2 B1 1.339(12) . ?
F3 B1 1.386(10) . ?
F4 B1 1.409(12) . ?
F5 B2 1.375(10) . ?
F6 B2 1.391(11) . ?
F7 B2 1.407(13) . ?
F8 B2 1.333(12) . ?
O1 C12 1.398(7) . ?
O2 C12' 1.415(8) . ?
O3 C2' 1.388(8) . ?
O3 C18 1.433(8) . ?
O4 C30 1.410(8) . ?
O5 C30' 1.405(8) . ?
O6 C20' 1.345(8) . ?
O6 C36 1.451(10) . ?
O7 C48 1.396(7) . ?
O8 C48' 1.413(8) . ?
O9 C38' 1.373(8) . ?
O9 C54 1.434(9) . ?
O12 C56' 1.324(8) . ?
O12 C72 1.453(9) . ?
C1 C1' 1.503(10) . ?
C1 C2 1.393(9) . ?
C1 C9 1.435(9) . ?
C1' C2' 1.399(9) . ?
C1' C9' 1.419(9) . ?
C2 C3 1.430(10) . ?
C2' C3' 1.396(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.360(10) . ?
C3' H3' 0.9300 . ?
C3' C4' 1.367(10) . ?
C4 H4 0.9300 . ?
C4 C10 1.387(11) . ?
C4' H4' 0.9300 . ?
C4' C10' 1.416(10) . ?
C5 H5 0.9300 . ?
C5 C6 1.363(12) . ?
C5 C10 1.414(10) . ?
C5' H5' 0.9300 . ?
C5' C6' 1.371(11) . ?
C5' C10' 1.428(11) . ?
C6 H6 0.9300 . ?
C6 C7 1.363(12) . ?
C6' H6' 0.9300 . ?
C6' C7' 1.396(12) . ?
C7 H7 0.9300 . ?
C7 C8 1.353(11) . ?
C7' H7' 0.9300 . ?
C7' C8' 1.364(11) . ?
C8 H8 0.9300 . ?
C8 C9 1.425(10) . ?
C8' H8' 0.9300 . ?
C8' C9' 1.407(10) . ?
C9 C10 1.417(10) . ?
C9' C10' 1.406(10) . ?
C11 C11' 1.476(10) . ?
C11 C12 1.406(10) . ?
C11 C16 1.404(10) . ?
C11' C12' 1.384(11) . ?
C11' C16' 1.404(10) . ?
C12 C13 1.372(10) . ?
C12' C13' 1.389(10) . ?
C13 C14 1.407(10) . ?
C13 C17 1.511(10) . ?
C13' C14' 1.381(11) . ?
C13' C17' 1.493(12) . ?
C14 H14 0.9300 . ?
C14 C15 1.375(11) . ?
C14' H14' 0.9300 . ?
C14' C15' 1.379(12) . ?
C15 H15 0.9300 . ?
C15 C16 1.382(12) . ?
C15' H15' 0.9300 . ?
C15' C16' 1.382(12) . ?
C16 H16 0.9300 . ?
C16' H16' 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17' H17D 0.9600 . ?
C17' H17E 0.9600 . ?
C17' H17F 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C19' 1.494(10) . ?
C19 C20 1.384(9) . ?
C19 C27 1.404(9) . ?
C19' C20' 1.411(10) . ?
C19' C27' 1.477(9) . ?
C20 C21 1.435(10) . ?
C20' C21' 1.418(10) . ?
C21 H21 0.9300 . ?
C21 C22 1.346(11) . ?
C21' H21' 0.9800 . ?
C21' C22' 1.406(10) . ?
C22 H22 0.9300 . ?
C22 C28 1.417(11) . ?
C22' H22' 0.9800 . ?
C22' C28' 1.429(12) . ?
C23 H23 0.9300 . ?
C23 C24 1.385(12) . ?
C23 C28 1.446(10) . ?
C23' H23' 0.9300 . ?
C23' C24' 1.380(11) . ?
C23' C28' 1.406(10) . ?
C24 H24 0.9300 . ?
C24 C25 1.405(13) . ?
C24' H24' 0.9300 . ?
C24' C25' 1.410(11) . ?
C25 H25 0.9300 . ?
C25 C26 1.381(11) . ?
C25' H25' 0.9300 . ?
C25' C26' 1.356(11) . ?
C26 H26 0.9300 . ?
C26 C27 1.422(10) . ?
C26' H26' 0.9300 . ?
C26' C27' 1.401(11) . ?
C27 C28 1.427(11) . ?
C27' C28' 1.456(10) . ?
C29 C29' 1.478(13) . ?
C29 C30 1.397(12) . ?
C29 C34 1.414(11) . ?
C29' C30' 1.420(11) . ?
C29' C34' 1.369(12) . ?
C30 C31 1.391(12) . ?
C30' C31' 1.383(11) . ?
C31 C32 1.420(13) . ?
C31 C35 1.502(14) . ?
C31' C32' 1.397(11) . ?
C31' C35' 1.501(12) . ?
C32 H32 0.9300 . ?
C32 C33 1.365(16) . ?
C32' H32' 0.9300 . ?
C32' C33' 1.385(14) . ?
C33 H33 0.9300 . ?
C33 C34 1.390(16) . ?
C33' H33' 0.9300 . ?
C33' C34' 1.369(14) . ?
C34 H34 0.9300 . ?
C34' H34' 0.9300 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C35' H35D 0.9600 . ?
C35' H35E 0.9600 . ?
C35' H35F 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C37' 1.495(9) . ?
C37 C38 1.379(10) . ?
C37 C45 1.440(9) . ?
C37' C38' 1.392(9) . ?
C37' C45' 1.419(10) . ?
C38 C39 1.421(9) . ?
C38' C39' 1.397(9) . ?
C39 H39 0.9300 . ?
C39 C40 1.361(10) . ?
C39' H39' 0.9300 . ?
C39' C40' 1.368(10) . ?
C40 H40 0.9300 . ?
C40 C46 1.415(11) . ?
C40' H40' 0.9300 . ?
C40' C46' 1.409(10) . ?
C41 H41 0.9300 . ?
C41 C42 1.370(13) . ?
C41 C46 1.408(10) . ?
C41' H41' 0.9300 . ?
C41' C42' 1.381(11) . ?
C41' C46' 1.410(10) . ?
C42 H42 0.9300 . ?
C42 C43 1.405(13) . ?
C42' H42' 0.9300 . ?
C42' C43' 1.421(11) . ?
C43 H43 0.9300 . ?
C43 C44 1.374(12) . ?
C43' H43' 0.9300 . ?
C43' C44' 1.359(11) . ?
C44 H44 0.9300 . ?
C44 C45 1.434(12) . ?
C44' H44' 0.9300 . ?
C44' C45' 1.418(10) . ?
C45 C46 1.421(9) . ?
C45' C46' 1.412(10) . ?
C47 C47' 1.495(10) . ?
C47 C48 1.402(9) . ?
C47 C52 1.391(9) . ?
C47' C48' 1.366(10) . ?
C47' C52' 1.408(11) . ?
C48 C49 1.385(9) . ?
C48' C49' 1.403(9) . ?
C49 C50 1.389(10) . ?
C49 C53 1.510(9) . ?
C49' C50' 1.393(11) . ?
C49' C53' 1.497(11) . ?
C50 H50 0.9300 . ?
C50 C51 1.383(11) . ?
C50' H50' 0.9300 . ?
C50' C51' 1.376(12) . ?
C51 H51 0.9300 . ?
C51 C52 1.380(11) . ?
C51' H51' 0.9300 . ?
C51' C52' 1.374(11) . ?
C52 H52 0.9300 . ?
C52' H52' 0.9300 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C53' H53D 0.9600 . ?
C53' H53E 0.9600 . ?
C53' H53F 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C55' 1.525(9) . ?
C55 C56 1.371(9) . ?
C55 C63 1.420(9) . ?
C55' C56' 1.399(10) . ?
C55' C63' 1.455(10) . ?
C56 C57 1.425(10) . ?
C56' C57' 1.417(10) . ?
C57 H57 0.9300 . ?
C57 C58 1.370(11) . ?
C57' H57' 0.9800 . ?
C57' C58' 1.401(11) . ?
C58 H58 0.9300 . ?
C58 C64 1.453(10) . ?
C58' H58' 0.9800 . ?
C58' C64' 1.434(11) . ?
C59 H59 0.9300 . ?
C59 C60 1.364(12) . ?
C59 C64 1.401(11) . ?
C59' H59' 0.9300 . ?
C59' C60' 1.362(12) . ?
C59' C64' 1.397(10) . ?
C60 H60 0.9300 . ?
C60 C61 1.416(13) . ?
C60' H60' 0.9300 . ?
C60' C61' 1.418(13) . ?
C61 H61 0.9300 . ?
C61 C62 1.364(11) . ?
C61' H61' 0.9300 . ?
C61' C62' 1.366(11) . ?
C62 H62 0.9300 . ?
C62 C63 1.419(10) . ?
C62' H62' 0.9300 . ?
C62' C63' 1.402(10) . ?
C63 C64 1.409(10) . ?
C63' C64' 1.449(11) . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
O10 C66 1.417(10) . ?
O11 C66' 1.412(11) . ?
C65 C65' 1.454(14) . ?
C65 C66 1.393(14) . ?
C65 C70 1.430(13) . ?
C65' C66' 1.412(13) . ?
C65' C70' 1.405(15) . ?
C66 C67 1.410(14) . ?
C66' C67' 1.368(13) . ?
C67 C68 1.412(15) . ?
C67 C71 1.511(16) . ?
C67' C68' 1.430(14) . ?
C67' C71' 1.496(15) . ?
C68 H68 0.9300 . ?
C68 C69 1.39(2) . ?
C68' H68' 0.9300 . ?
C68' C69' 1.389(18) . ?
C69 H69 0.9300 . ?
C69 C70 1.385(19) . ?
C69' H69' 0.9300 . ?
C69' C70' 1.325(19) . ?
C70 H70 0.9300 . ?
C70' H70' 0.9300 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C71' H71D 0.9600 . ?
C71' H71E 0.9600 . ?
C71' H71F 0.9600 . ?
O13 C74 1.412(19) . ?
O14 C74' 1.415(19) . ?
C73 C73' 1.45(2) . ?
C73 C74 1.39(2) . ?
C73 C78 1.44(2) . ?
C73' C74' 1.41(2) . ?
C73' C78' 1.40(2) . ?
C74 C75 1.41(2) . ?
C74' C75' 1.37(2) . ?
C75 C76 1.41(2) . ?
C75 C79 1.50(2) . ?
C75' C76' 1.45(2) . ?
C75' C79' 1.49(2) . ?
C76 H76 0.9300 . ?
C76 C77 1.38(3) . ?
C76' H76' 0.9300 . ?
C76' C77' 1.38(3) . ?
C77 H77 0.9300 . ?
C77 C78 1.39(3) . ?
C77' H77' 0.9300 . ?
C77' C78' 1.32(3) . ?
C78 H78 0.9300 . ?
C78' H78' 0.9300 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C79' H79D 0.9600 . ?
C79' H79E 0.9600 . ?
C79' H79F 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 C20' 147.35(18) . . ?
P1 Rh1 C21' 115.62(18) . . ?
P1 Rh1 C22' 100.7(2) . . ?
P1 Rh1 C27' 137.58(17) . . ?
P1 Rh1 C28' 111.04(17) . . ?
P2 Rh1 P1 98.62(6) . . ?
P2 Rh1 C20' 102.98(17) . . ?
P2 Rh1 C21' 137.50(18) . . ?
P2 Rh1 C22' 158.9(2) . . ?
P2 Rh1 C27' 96.95(18) . . ?
P2 Rh1 C28' 128.61(19) . . ?
C19' Rh1 P1 174.12(18) . . ?
C19' Rh1 P2 82.79(19) . . ?
C19' Rh1 C20' 36.3(3) . . ?
C19' Rh1 C21' 65.8(3) . . ?
C19' Rh1 C22' 77.1(3) . . ?
C19' Rh1 C27' 36.6(2) . . ?
C19' Rh1 C28' 64.1(2) . . ?
C20' Rh1 C21' 35.7(2) . . ?
C20' Rh1 C27' 63.4(2) . . ?
C20' Rh1 C28' 73.3(2) . . ?
C21' Rh1 C27' 74.9(2) . . ?
C21' Rh1 C28' 62.5(2) . . ?
C22' Rh1 C20' 63.7(2) . . ?
C22' Rh1 C21' 35.7(3) . . ?
C22' Rh1 C27' 62.9(3) . . ?
C22' Rh1 C28' 34.5(3) . . ?
C27' Rh1 C28' 34.3(2) . . ?
P3 Rh2 C56' 146.24(17) . . ?
P3 Rh2 C57' 114.80(19) . . ?
P3 Rh2 C58' 100.5(2) . . ?
P3 Rh2 C63' 138.09(18) . . ?
P3 Rh2 C64' 111.09(19) . . ?
P4 Rh2 P3 98.97(7) . . ?
P4 Rh2 C56' 102.91(18) . . ?
P4 Rh2 C57' 137.21(19) . . ?
P4 Rh2 C58' 159.3(2) . . ?
P4 Rh2 C63' 98.38(19) . . ?
P4 Rh2 C64' 129.64(18) . . ?
C55' Rh2 P3 173.77(18) . . ?
C55' Rh2 P4 84.33(19) . . ?
C55' Rh2 C56' 36.2(2) . . ?
C55' Rh2 C57' 64.8(3) . . ?
C55' Rh2 C58' 75.7(3) . . ?
C55' Rh2 C63' 35.8(2) . . ?
C55' Rh2 C64' 63.0(3) . . ?
C56' Rh2 C57' 35.6(3) . . ?
C56' Rh2 C63' 63.1(2) . . ?
C56' Rh2 C64' 73.2(2) . . ?
C57' Rh2 C63' 74.1(2) . . ?
C57' Rh2 C64' 62.2(2) . . ?
C58' Rh2 C56' 63.3(3) . . ?
C58' Rh2 C57' 35.3(3) . . ?
C58' Rh2 C63' 62.1(3) . . ?
C58' Rh2 C64' 34.4(3) . . ?
C63' Rh2 C64' 33.9(3) . . ?
O1 P1 Rh1 120.53(19) . . ?
O1 P1 C2 100.6(3) . . ?
O2 P1 Rh1 113.01(18) . . ?
O2 P1 O1 103.4(3) . . ?
O2 P1 C2 106.7(3) . . ?
C2 P1 Rh1 111.1(2) . . ?
O4 P2 Rh1 111.86(18) . . ?
O4 P2 O5 101.9(2) . . ?
O4 P2 C20 108.3(3) . . ?
O5 P2 Rh1 129.7(2) . . ?
O5 P2 C20 97.1(3) . . ?
C20 P2 Rh1 105.9(2) . . ?
O7 P3 Rh2 120.5(2) . . ?
O7 P3 O8 102.9(2) . . ?
O7 P3 C38 100.4(3) . . ?
O8 P3 Rh2 112.80(19) . . ?
O8 P3 C38 107.1(3) . . ?
C38 P3 Rh2 111.7(2) . . ?
C56 P4 Rh2 105.7(2) . . ?
O10 P4 Rh2 113.2(6) . . ?
O10 P4 C56 109.8(11) . . ?
O10 P4 O11 100.9(9) . . ?
O11 P4 Rh2 129.7(9) . . ?
O11 P4 C56 95.6(7) . . ?
O13 P4 Rh2 110.2(15) . . ?
O13 P4 C56 110(3) . . ?
O13 P4 O14 102(3) . . ?
O14 P4 Rh2 129(2) . . ?
O14 P4 C56 98.3(17) . . ?
C12 O1 P1 125.6(4) . . ?
C12' O2 P1 123.7(4) . . ?
C2' O3 C18 117.2(6) . . ?
C30 O4 P2 124.1(4) . . ?
C30' O5 P2 122.7(4) . . ?
C20' O6 C36 117.5(6) . . ?
C48 O7 P3 127.5(4) . . ?
C48' O8 P3 123.8(4) . . ?
C38' O9 C54 117.7(6) . . ?
C56' O12 C72 118.5(6) . . ?
C2 C1 C1' 123.9(5) . . ?
C2 C1 C9 119.0(6) . . ?
C9 C1 C1' 117.0(6) . . ?
C2' C1' C1 121.0(6) . . ?
C2' C1' C9' 119.0(6) . . ?
C9' C1' C1 119.9(5) . . ?
C1 C2 P1 128.6(5) . . ?
C1 C2 C3 119.5(6) . . ?
C3 C2 P1 111.9(5) . . ?
O3 C2' C1' 116.3(6) . . ?
O3 C2' C3' 123.4(6) . . ?
C3' C2' C1' 120.3(6) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(7) . . ?
C4 C3 H3 119.7 . . ?
C2' C3' H3' 119.3 . . ?
C4' C3' C2' 121.4(6) . . ?
C4' C3' H3' 119.3 . . ?
C3 C4 H4 119.1 . . ?
C3 C4 C10 121.7(7) . . ?
C10 C4 H4 119.1 . . ?
C3' C4' H4' 120.2 . . ?
C3' C4' C10' 119.6(7) . . ?
C10' C4' H4' 120.2 . . ?
C6 C5 H5 118.8 . . ?
C6 C5 C10 122.5(8) . . ?
C10 C5 H5 118.8 . . ?
C6' C5' H5' 119.6 . . ?
C6' C5' C10' 120.7(8) . . ?
C10' C5' H5' 119.6 . . ?
C5 C6 H6 121.2 . . ?
C7 C6 C5 117.7(7) . . ?
C7 C6 H6 121.2 . . ?
C5' C6' H6' 120.7 . . ?
C5' C6' C7' 118.7(7) . . ?
C7' C6' H6' 120.7 . . ?
C6 C7 H7 117.9 . . ?
C8 C7 C6 124.3(8) . . ?
C8 C7 H7 117.9 . . ?
C6' C7' H7' 119.0 . . ?
C8' C7' C6' 122.0(7) . . ?
C8' C7' H7' 119.0 . . ?
C7 C8 H8 120.4 . . ?
C7 C8 C9 119.1(8) . . ?
C9 C8 H8 120.4 . . ?
C7' C8' H8' 119.7 . . ?
C7' C8' C9' 120.6(7) . . ?
C9' C8' H8' 119.7 . . ?
C8 C9 C1 121.8(7) . . ?
C10 C9 C1 120.0(6) . . ?
C10 C9 C8 118.3(6) . . ?
C8' C9' C1' 121.9(6) . . ?
C10' C9' C1' 119.6(6) . . ?
C10' C9' C8' 118.4(6) . . ?
C4 C10 C5 122.8(7) . . ?
C4 C10 C9 119.1(6) . . ?
C5 C10 C9 118.1(7) . . ?
C4' C10' C5' 120.6(7) . . ?
C9' C10' C4' 119.9(6) . . ?
C9' C10' C5' 119.5(7) . . ?
C12 C11 C11' 123.9(6) . . ?
C16 C11 C11' 120.4(7) . . ?
C16 C11 C12 115.7(7) . . ?
C12' C11' C11 124.7(6) . . ?
C12' C11' C16' 116.5(7) . . ?
C16' C11' C11 118.8(7) . . ?
O1 C12 C11 119.7(6) . . ?
C13 C12 O1 115.4(6) . . ?
C13 C12 C11 124.6(6) . . ?
C11' C12' O2 119.5(6) . . ?
C11' C12' C13' 123.9(6) . . ?
C13' C12' O2 116.2(7) . . ?
C12 C13 C14 116.6(6) . . ?
C12 C13 C17 122.7(6) . . ?
C14 C13 C17 120.7(7) . . ?
C12' C13' C17' 122.5(7) . . ?
C14' C13' C12' 117.6(8) . . ?
C14' C13' C17' 119.9(7) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 C13 121.6(7) . . ?
C15 C14 H14 119.2 . . ?
C13' C14' H14' 119.7 . . ?
C15' C14' C13' 120.6(7) . . ?
C15' C14' H14' 119.7 . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.6(8) . . ?
C16 C15 H15 120.2 . . ?
C14' C15' H15' 119.7 . . ?
C14' C15' C16' 120.6(7) . . ?
C16' C15' H15' 119.7 . . ?
C11 C16 H16 119.1 . . ?
C15 C16 C11 121.8(7) . . ?
C15 C16 H16 119.1 . . ?
C11' C16' H16' 119.6 . . ?
C15' C16' C11' 120.8(8) . . ?
C15' C16' H16' 119.6 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13' C17' H17D 109.5 . . ?
C13' C17' H17E 109.5 . . ?
C13' C17' H17F 109.5 . . ?
H17D C17' H17E 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
O3 C18 H18A 109.5 . . ?
O3 C18 H18B 109.5 . . ?
O3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C19' 117.9(6) . . ?
C20 C19 C27 120.7(6) . . ?
C27 C19 C19' 121.4(6) . . ?
C19 C19' Rh1 116.6(4) . . ?
C20' C19' Rh1 76.1(4) . . ?
C20' C19' C19 122.0(6) . . ?
C20' C19' C27' 120.2(6) . . ?
C27' C19' Rh1 80.8(4) . . ?
C27' C19' C19 117.8(6) . . ?
C19 C20 P2 116.5(5) . . ?
C19 C20 C21 119.6(6) . . ?
C21 C20 P2 123.8(5) . . ?
O6 C20' Rh1 129.5(4) . . ?
O6 C20' C19' 115.3(6) . . ?
O6 C20' C21' 124.3(6) . . ?
C19' C20' Rh1 67.5(3) . . ?
C19' C20' C21' 120.2(6) . . ?
C21' C20' Rh1 72.2(3) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.9(7) . . ?
C22 C21 H21 120.1 . . ?
Rh1 C21' H21' 120.7 . . ?
C20' C21' Rh1 72.1(4) . . ?
C20' C21' H21' 120.7 . . ?
C22' C21' Rh1 70.8(4) . . ?
C22' C21' C20' 118.1(7) . . ?
C22' C21' H21' 120.7 . . ?
C21 C22 H22 119.0 . . ?
C21 C22 C28 122.0(7) . . ?
C28 C22 H22 119.0 . . ?
Rh1 C22' H22' 118.3 . . ?
C21' C22' Rh1 73.5(4) . . ?
C21' C22' H22' 118.3 . . ?
C21' C22' C28' 123.4(7) . . ?
C28' C22' Rh1 80.9(4) . . ?
C28' C22' H22' 118.3 . . ?
C24 C23 H23 121.4 . . ?
C24 C23 C28 117.3(7) . . ?
C28 C23 H23 121.4 . . ?
C24' C23' H23' 119.4 . . ?
C24' C23' C28' 121.1(7) . . ?
C28' C23' H23' 119.4 . . ?
C23 C24 H24 119.1 . . ?
C23 C24 C25 121.8(7) . . ?
C25 C24 H24 119.1 . . ?
C23' C24' H24' 120.5 . . ?
C23' C24' C25' 119.0(6) . . ?
C25' C24' H24' 120.5 . . ?
C24 C25 H25 119.3 . . ?
C26 C25 C24 121.4(8) . . ?
C26 C25 H25 119.3 . . ?
C24' C25' H25' 119.0 . . ?
C26' C25' C24' 122.1(8) . . ?
C26' C25' H25' 119.0 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.7(8) . . ?
C27 C26 H26 120.1 . . ?
C25' C26' H26' 119.8 . . ?
C25' C26' C27' 120.4(8) . . ?
C27' C26' H26' 119.8 . . ?
C19 C27 C26 122.1(7) . . ?
C19 C27 C28 119.3(6) . . ?
C26 C27 C28 118.6(7) . . ?
C19' C27' Rh1 62.6(3) . . ?
C26' C27' Rh1 135.1(5) . . ?
C26' C27' C19' 124.0(7) . . ?
C26' C27' C28' 118.8(6) . . ?
C28' C27' Rh1 74.6(4) . . ?
C28' C27' C19' 117.1(6) . . ?
C22 C28 C23 120.4(7) . . ?
C22 C28 C27 118.4(7) . . ?
C27 C28 C23 121.1(7) . . ?
C22' C28' Rh1 64.5(4) . . ?
C22' C28' C27' 117.6(6) . . ?
C23' C28' Rh1 134.3(5) . . ?
C23' C28' C22' 123.9(7) . . ?
C23' C28' C27' 118.4(7) . . ?
C27' C28' Rh1 71.1(4) . . ?
C30 C29 C29' 124.8(7) . . ?
C30 C29 C34 116.8(9) . . ?
C34 C29 C29' 118.4(8) . . ?
C30' C29' C29 120.8(7) . . ?
C34' C29' C29 122.3(8) . . ?
C34' C29' C30' 116.8(8) . . ?
C29 C30 O4 118.9(7) . . ?
C31 C30 O4 116.7(7) . . ?
C31 C30 C29 124.3(7) . . ?
O5 C30' C29' 119.9(7) . . ?
C31' C30' O5 116.4(6) . . ?
C31' C30' C29' 123.6(6) . . ?
C30 C31 C32 116.2(9) . . ?
C30 C31 C35 121.6(8) . . ?
C32 C31 C35 122.2(9) . . ?
C30' C31' C32' 116.5(7) . . ?
C30' C31' C35' 121.4(7) . . ?
C32' C31' C35' 122.1(8) . . ?
C31 C32 H32 119.4 . . ?
C33 C32 C31 121.2(10) . . ?
C33 C32 H32 119.4 . . ?
C31' C32' H32' 119.7 . . ?
C33' C32' C31' 120.6(9) . . ?
C33' C32' H32' 119.7 . . ?
C32 C33 H33 119.5 . . ?
C32 C33 C34 121.1(9) . . ?
C34 C33 H33 119.5 . . ?
C32' C33' H33' 119.5 . . ?
C34' C33' C32' 121.0(8) . . ?
C34' C33' H33' 119.5 . . ?
C29 C34 H34 119.9 . . ?
C33 C34 C29 120.2(10) . . ?
C33 C34 H34 119.9 . . ?
C29' C34' C33' 121.2(9) . . ?
C29' C34' H34' 119.4 . . ?
C33' C34' H34' 119.4 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31' C35' H35D 109.5 . . ?
C31' C35' H35E 109.5 . . ?
C31' C35' H35F 109.5 . . ?
H35D C35' H35E 109.5 . . ?
H35D C35' H35F 109.5 . . ?
H35E C35' H35F 109.5 . . ?
O6 C36 H36A 109.5 . . ?
O6 C36 H36B 109.5 . . ?
O6 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C37' 123.1(6) . . ?
C38 C37 C45 120.4(6) . . ?
C45 C37 C37' 116.5(6) . . ?
C38' C37' C37 121.4(6) . . ?
C38' C37' C45' 118.8(6) . . ?
C45' C37' C37 119.8(6) . . ?
C37 C38 P3 128.6(5) . . ?
C37 C38 C39 119.4(6) . . ?
C39 C38 P3 112.0(5) . . ?
O9 C38' C37' 116.3(6) . . ?
O9 C38' C39' 122.4(6) . . ?
C37' C38' C39' 121.2(6) . . ?
C38 C39 H39 119.2 . . ?
C40 C39 C38 121.5(7) . . ?
C40 C39 H39 119.2 . . ?
C38' C39' H39' 120.0 . . ?
C40' C39' C38' 120.1(6) . . ?
C40' C39' H39' 120.0 . . ?
C39 C40 H40 119.9 . . ?
C39 C40 C46 120.3(6) . . ?
C46 C40 H40 119.9 . . ?
C39' C40' H40' 119.6 . . ?
C39' C40' C46' 120.7(6) . . ?
C46' C40' H40' 119.6 . . ?
C42 C41 H41 119.9 . . ?
C42 C41 C46 120.1(7) . . ?
C46 C41 H41 119.9 . . ?
C42' C41' H41' 119.8 . . ?
C42' C41' C46' 120.4(7) . . ?
C46' C41' H41' 119.8 . . ?
C41 C42 H42 118.9 . . ?
C41 C42 C43 122.2(7) . . ?
C43 C42 H42 118.9 . . ?
C41' C42' H42' 120.5 . . ?
C41' C42' C43' 119.1(7) . . ?
C43' C42' H42' 120.5 . . ?
C42 C43 H43 120.6 . . ?
C44 C43 C42 118.7(9) . . ?
C44 C43 H43 120.6 . . ?
C42' C43' H43' 119.4 . . ?
C44' C43' C42' 121.2(7) . . ?
C44' C43' H43' 119.4 . . ?
C43 C44 H44 119.4 . . ?
C43 C44 C45 121.1(8) . . ?
C45 C44 H44 119.4 . . ?
C43' C44' H44' 119.6 . . ?
C43' C44' C45' 120.7(7) . . ?
C45' C44' H44' 119.6 . . ?
C44 C45 C37 122.8(6) . . ?
C46 C45 C37 118.6(6) . . ?
C46 C45 C44 118.6(6) . . ?
C44' C45' C37' 122.1(6) . . ?
C46' C45' C37' 119.6(6) . . ?
C46' C45' C44' 118.3(7) . . ?
C40 C46 C45 119.7(6) . . ?
C41 C46 C40 121.0(6) . . ?
C41 C46 C45 119.2(7) . . ?
C40' C46' C41' 120.3(6) . . ?
C40' C46' C45' 119.4(6) . . ?
C41' C46' C45' 120.3(7) . . ?
C48 C47 C47' 123.6(6) . . ?
C52 C47 C47' 119.6(6) . . ?
C52 C47 C48 116.8(6) . . ?
C48' C47' C47 125.1(6) . . ?
C48' C47' C52' 117.3(7) . . ?
C52' C47' C47 117.5(7) . . ?
O7 C48 C47 119.5(6) . . ?
C49 C48 O7 117.0(5) . . ?
C49 C48 C47 123.0(6) . . ?
C47' C48' O8 120.7(6) . . ?
C47' C48' C49' 123.9(7) . . ?
C49' C48' O8 115.1(6) . . ?
C48 C49 C50 117.9(6) . . ?
C48 C49 C53 122.0(6) . . ?
C50 C49 C53 120.1(6) . . ?
C48' C49' C53' 122.5(7) . . ?
C50' C49' C48' 116.9(7) . . ?
C50' C49' C53' 120.6(7) . . ?
C49 C50 H50 119.7 . . ?
C51 C50 C49 120.7(7) . . ?
C51 C50 H50 119.7 . . ?
C49' C50' H50' 119.8 . . ?
C51' C50' C49' 120.4(7) . . ?
C51' C50' H50' 119.8 . . ?
C50 C51 H51 119.9 . . ?
C52 C51 C50 120.1(7) . . ?
C52 C51 H51 119.9 . . ?
C50' C51' H51' 119.3 . . ?
C52' C51' C50' 121.4(7) . . ?
C52' C51' H51' 119.3 . . ?
C47 C52 H52 119.3 . . ?
C51 C52 C47 121.4(6) . . ?
C51 C52 H52 119.3 . . ?
C47' C52' H52' 120.0 . . ?
C51' C52' C47' 120.1(8) . . ?
C51' C52' H52' 120.0 . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49' C53' H53D 109.5 . . ?
C49' C53' H53E 109.5 . . ?
C49' C53' H53F 109.5 . . ?
H53D C53' H53E 109.5 . . ?
H53D C53' H53F 109.5 . . ?
H53E C53' H53F 109.5 . . ?
O9 C54 H54A 109.5 . . ?
O9 C54 H54B 109.5 . . ?
O9 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 C55' 118.4(6) . . ?
C56 C55 C63 120.8(6) . . ?
C63 C55 C55' 120.8(6) . . ?
C55 C55' Rh2 115.0(4) . . ?
C56' C55' Rh2 77.4(4) . . ?
C56' C55' C55 119.2(6) . . ?
C56' C55' C63' 123.0(7) . . ?
C63' C55' Rh2 83.4(4) . . ?
C63' C55' C55 117.5(6) . . ?
C55 C56 P4 116.3(5) . . ?
C55 C56 C57 121.4(7) . . ?
C57 C56 P4 122.3(5) . . ?
O12 C56' Rh2 129.1(4) . . ?
O12 C56' C55' 117.9(6) . . ?
O12 C56' C57' 124.1(6) . . ?
C55' C56' Rh2 66.5(4) . . ?
C55' C56' C57' 118.0(6) . . ?
C57' C56' Rh2 72.5(4) . . ?
C56 C57 H57 120.7 . . ?
C58 C57 C56 118.6(6) . . ?
C58 C57 H57 120.7 . . ?
Rh2 C57' H57' 120.4 . . ?
C56' C57' Rh2 71.9(3) . . ?
C56' C57' H57' 120.4 . . ?
C58' C57' Rh2 71.7(4) . . ?
C58' C57' C56' 118.7(6) . . ?
C58' C57' H57' 120.4 . . ?
C57 C58 H58 119.3 . . ?
C57 C58 C64 121.4(7) . . ?
C64 C58 H58 119.3 . . ?
Rh2 C58' H58' 118.4 . . ?
C57' C58' Rh2 73.0(4) . . ?
C57' C58' H58' 118.4 . . ?
C57' C58' C64' 123.2(7) . . ?
C64' C58' Rh2 80.3(4) . . ?
C64' C58' H58' 118.4 . . ?
C60 C59 H59 118.9 . . ?
C60 C59 C64 122.2(8) . . ?
C64 C59 H59 118.9 . . ?
C60' C59' H59' 120.0 . . ?
C60' C59' C64' 120.1(8) . . ?
C64' C59' H59' 120.0 . . ?
C59 C60 H60 120.9 . . ?
C59 C60 C61 118.1(8) . . ?
C61 C60 H60 120.9 . . ?
C59' C60' H60' 119.2 . . ?
C59' C60' C61' 121.5(8) . . ?
C61' C60' H60' 119.2 . . ?
C60 C61 H61 119.1 . . ?
C62 C61 C60 121.8(8) . . ?
C62 C61 H61 119.1 . . ?
C60' C61' H61' 120.1 . . ?
C62' C61' C60' 119.8(8) . . ?
C62' C61' H61' 120.1 . . ?
C61 C62 H62 120.1 . . ?
C61 C62 C63 119.7(8) . . ?
C63 C62 H62 120.1 . . ?
C61' C62' H62' 119.8 . . ?
C61' C62' C63' 120.3(8) . . ?
C63' C62' H62' 119.8 . . ?
C62 C63 C55 121.9(6) . . ?
C64 C63 C55 119.2(6) . . ?
C64 C63 C62 118.9(6) . . ?
C55' C63' Rh2 60.8(4) . . ?
C62' C63' Rh2 132.7(5) . . ?
C62' C63' C55' 125.0(7) . . ?
C62' C63' C64' 119.3(7) . . ?
C64' C63' Rh2 74.1(4) . . ?
C64' C63' C55' 115.6(6) . . ?
C59 C64 C58 122.4(7) . . ?
C59 C64 C63 119.1(7) . . ?
C63 C64 C58 118.5(6) . . ?
C58' C64' Rh2 65.3(4) . . ?
C58' C64' C63' 117.9(6) . . ?
C59' C64' Rh2 133.1(5) . . ?
C59' C64' C58' 123.2(7) . . ?
C59' C64' C63' 118.9(7) . . ?
C63' C64' Rh2 72.1(4) . . ?
O12 C72 H72A 109.5 . . ?
O12 C72 H72B 109.5 . . ?
O12 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
F1 B1 F3 111.7(9) . . ?
F1 B1 F4 109.0(7) . . ?
F2 B1 F1 112.8(8) . . ?
F2 B1 F3 109.8(7) . . ?
F2 B1 F4 105.0(9) . . ?
F3 B1 F4 108.2(7) . . ?
F5 B2 F6 109.2(8) . . ?
F5 B2 F7 108.6(8) . . ?
F6 B2 F7 108.1(7) . . ?
F8 B2 F5 111.6(8) . . ?
F8 B2 F6 113.4(8) . . ?
F8 B2 F7 105.8(9) . . ?
C66 O10 P4 123.9(18) . . ?
C66' O11 P4 119.9(17) . . ?
C66 C65 C65' 124.2(9) . . ?
C66 C65 C70 114.3(10) . . ?
C70 C65 C65' 121.5(10) . . ?
C66' C65' C65 122.2(10) . . ?
C70' C65' C65 120.9(10) . . ?
C70' C65' C66' 116.5(10) . . ?
C65 C66 O10 118.2(10) . . ?
C65 C66 C67 125.9(9) . . ?
C67 C66 O10 115.1(9) . . ?
O11 C66' C65' 118.5(9) . . ?
C67' C66' O11 116.9(10) . . ?
C67' C66' C65' 123.7(9) . . ?
C66 C67 C68 116.3(11) . . ?
C66 C67 C71 121.2(9) . . ?
C68 C67 C71 122.3(11) . . ?
C66' C67' C68' 116.5(10) . . ?
C66' C67' C71' 120.8(9) . . ?
C68' C67' C71' 122.5(10) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 C67 120.6(12) . . ?
C69 C68 H68 119.7 . . ?
C67' C68' H68' 120.1 . . ?
C69' C68' C67' 119.8(11) . . ?
C69' C68' H68' 120.1 . . ?
C68 C69 H69 119.7 . . ?
C70 C69 C68 120.5(10) . . ?
C70 C69 H69 119.7 . . ?
C68' C69' H69' 119.1 . . ?
C70' C69' C68' 121.8(11) . . ?
C70' C69' H69' 119.1 . . ?
C65 C70 H70 118.8 . . ?
C69 C70 C65 122.4(12) . . ?
C69 C70 H70 118.8 . . ?
C65' C70' H70' 119.2 . . ?
C69' C70' C65' 121.5(12) . . ?
C69' C70' H70' 119.2 . . ?
C67 C71 H71A 109.5 . . ?
C67 C71 H71B 109.5 . . ?
C67 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C67' C71' H71D 109.5 . . ?
C67' C71' H71E 109.5 . . ?
C67' C71' H71F 109.5 . . ?
H71D C71' H71E 109.5 . . ?
H71D C71' H71F 109.5 . . ?
H71E C71' H71F 109.5 . . ?
C74 O13 P4 126(5) . . ?
C74' O14 P4 126(4) . . ?
C74 C73 C73' 124.3(18) . . ?
C74 C73 C78 114.1(16) . . ?
C78 C73 C73' 121.4(18) . . ?
C74' C73' C73 123.8(18) . . ?
C78' C73' C73 120.5(19) . . ?
C78' C73' C74' 115.7(16) . . ?
O13 C74 C75 115.2(18) . . ?
C73 C74 O13 118.8(17) . . ?
C73 C74 C75 125.9(17) . . ?
C73' C74' O14 118.6(18) . . ?
C75' C74' O14 116.2(19) . . ?
C75' C74' C73' 124.6(17) . . ?
C74 C75 C79 121.0(18) . . ?
C76 C75 C74 115.7(17) . . ?
C76 C75 C79 123(2) . . ?
C74' C75' C76' 115.4(18) . . ?
C74' C75' C79' 121(2) . . ?
C76' C75' C79' 122(2) . . ?
C75 C76 H76 119.5 . . ?
C77 C76 C75 120.9(19) . . ?
C77 C76 H76 119.5 . . ?
C75' C76' H76' 121.0 . . ?
C77' C76' C75' 118.0(18) . . ?
C77' C76' H76' 121.0 . . ?
C76 C77 H77 119.5 . . ?
C76 C77 C78 121.0(18) . . ?
C78 C77 H77 119.5 . . ?
C76' C77' H77' 118.2 . . ?
C78' C77' C76' 123.7(19) . . ?
C78' C77' H77' 118.2 . . ?
C73 C78 H78 119.4 . . ?
C77 C78 C73 121.1(19) . . ?
C77 C78 H78 119.4 . . ?
C73' C78' H78' 119.4 . . ?
C77' C78' C73' 121(2) . . ?
C77' C78' H78' 119.4 . . ?
C75 C79 H79A 109.5 . . ?
C75 C79 H79B 109.5 . . ?
C75 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C75' C79' H79D 109.5 . . ?
C75' C79' H79E 109.5 . . ?
C75' C79' H79F 109.5 . . ?
H79D C79' H79E 109.5 . . ?
H79D C79' H79F 109.5 . . ?
H79E C79' H79F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 O1 C12 85.6(5) . . . . ?
Rh1 P1 O2 C12' -175.6(4) . . . . ?
Rh1 P1 C2 C1 128.0(5) . . . . ?
Rh1 P1 C2 C3 -51.3(5) . . . . ?
Rh1 P2 O4 C30 178.3(5) . . . . ?
Rh1 P2 O5 C30' -80.1(5) . . . . ?
Rh1 P2 C20 C19 4.8(6) . . . . ?
Rh1 P2 C20 C21 -177.0(5) . . . . ?
Rh1 C19' C20' O6 -124.5(5) . . . . ?
Rh1 C19' C20' C21' 51.4(5) . . . . ?
Rh1 C19' C27' C26' 127.8(7) . . . . ?
Rh1 C19' C27' C28' -53.0(6) . . . . ?
Rh1 C20' C21' C22' 55.7(5) . . . . ?
Rh1 C21' C22' C28' 66.9(6) . . . . ?
Rh1 C22' C28' C23' -127.7(6) . . . . ?
Rh1 C22' C28' C27' 49.2(6) . . . . ?
Rh1 C27' C28' C22' -46.3(6) . . . . ?
Rh1 C27' C28' C23' 130.8(6) . . . . ?
Rh2 P3 O7 C48 85.6(5) . . . . ?
Rh2 P3 O8 C48' -175.1(4) . . . . ?
Rh2 P3 C38 C37 126.8(5) . . . . ?
Rh2 P3 C38 C39 -51.5(5) . . . . ?
Rh2 P4 C56 C55 3.8(5) . . . . ?
Rh2 P4 C56 C57 -177.1(5) . . . . ?
Rh2 P4 O10 C66 176.2(15) . . . . ?
Rh2 P4 O11 C66' -76.8(17) . . . . ?
Rh2 P4 O13 C74 -179(4) . . . . ?
Rh2 P4 O14 C74' -85(5) . . . . ?
Rh2 C55' C56' O12 -123.3(5) . . . . ?
Rh2 C55' C56' C57' 52.9(5) . . . . ?
Rh2 C55' C63' C62' 123.8(7) . . . . ?
Rh2 C55' C63' C64' -52.0(6) . . . . ?
Rh2 C56' C57' C58' 56.3(5) . . . . ?
Rh2 C57' C58' C64' 65.7(6) . . . . ?
Rh2 C58' C64' C59' -126.6(7) . . . . ?
Rh2 C58' C64' C63' 51.2(6) . . . . ?
Rh2 C63' C64' C58' -48.1(6) . . . . ?
Rh2 C63' C64' C59' 129.9(7) . . . . ?
P1 O1 C12 C11 67.0(8) . . . . ?
P1 O1 C12 C13 -119.2(6) . . . . ?
P1 O2 C12' C11' 70.2(7) . . . . ?
P1 O2 C12' C13' -117.1(6) . . . . ?
P1 C2 C3 C4 -176.7(5) . . . . ?
P2 O4 C30 C29 -72.3(8) . . . . ?
P2 O4 C30 C31 112.7(7) . . . . ?
P2 O5 C30' C29' -70.3(7) . . . . ?
P2 O5 C30' C31' 113.8(6) . . . . ?
P2 C20 C21 C22 -177.4(6) . . . . ?
P3 O7 C48 C47 67.2(8) . . . . ?
P3 O7 C48 C49 -120.5(6) . . . . ?
P3 O8 C48' C47' 69.7(8) . . . . ?
P3 O8 C48' C49' -117.0(6) . . . . ?
P3 C38 C39 C40 -178.4(6) . . . . ?
P4 C56 C57 C58 -178.3(5) . . . . ?
P4 O10 C66 C65 -74(3) . . . . ?
P4 O10 C66 C67 116(3) . . . . ?
P4 O11 C66' C65' -75(3) . . . . ?
P4 O11 C66' C67' 115(2) . . . . ?
P4 O13 C74 C73 -70(9) . . . . ?
P4 O13 C74 C75 106(7) . . . . ?
P4 O14 C74' C73' -63(9) . . . . ?
P4 O14 C74' C75' 109(6) . . . . ?
O1 P1 O2 C12' -43.6(5) . . . . ?
O1 P1 C2 C1 -0.8(6) . . . . ?
O1 P1 C2 C3 180.0(4) . . . . ?
O1 C12 C13 C14 -173.3(6) . . . . ?
O1 C12 C13 C17 4.2(10) . . . . ?
O2 P1 O1 C12 -41.8(5) . . . . ?
O2 P1 C2 C1 -108.4(6) . . . . ?
O2 P1 C2 C3 72.3(5) . . . . ?
O2 C12' C13' C14' -172.0(6) . . . . ?
O2 C12' C13' C17' 8.2(10) . . . . ?
O3 C2' C3' C4' 178.8(6) . . . . ?
O4 P2 O5 C30' 52.0(6) . . . . ?
O4 P2 C20 C19 -115.4(5) . . . . ?
O4 P2 C20 C21 62.9(6) . . . . ?
O4 C30 C31 C32 171.6(6) . . . . ?
O4 C30 C31 C35 -10.4(10) . . . . ?
O5 P2 O4 C30 36.3(6) . . . . ?
O5 P2 C20 C19 139.5(5) . . . . ?
O5 P2 C20 C21 -42.2(6) . . . . ?
O5 C30' C31' C32' 176.1(6) . . . . ?
O5 C30' C31' C35' -3.2(10) . . . . ?
O6 C20' C21' Rh1 126.1(6) . . . . ?
O6 C20' C21' C22' -178.1(6) . . . . ?
O7 P3 O8 C48' -43.8(5) . . . . ?
O7 P3 C38 C37 -2.1(6) . . . . ?
O7 P3 C38 C39 179.5(5) . . . . ?
O7 C48 C49 C50 -172.3(6) . . . . ?
O7 C48 C49 C53 6.0(10) . . . . ?
O8 P3 O7 C48 -40.9(6) . . . . ?
O8 P3 C38 C37 -109.2(6) . . . . ?
O8 P3 C38 C39 72.4(5) . . . . ?
O8 C48' C49' C50' -171.9(6) . . . . ?
O8 C48' C49' C53' 6.4(10) . . . . ?
O9 C38' C39' C40' 179.1(7) . . . . ?
O12 C56' C57' Rh2 125.8(6) . . . . ?
O12 C56' C57' C58' -177.9(6) . . . . ?
C1 C1' C2' O3 -0.2(9) . . . . ?
C1 C1' C2' C3' 178.4(6) . . . . ?
C1 C1' C9' C8' 0.5(9) . . . . ?
C1 C1' C9' C10' -177.4(6) . . . . ?
C1 C2 C3 C4 4.0(9) . . . . ?
C1 C9 C10 C4 1.3(9) . . . . ?
C1 C9 C10 C5 -178.2(6) . . . . ?
C1' C1 C2 P1 0.5(9) . . . . ?
C1' C1 C2 C3 179.8(6) . . . . ?
C1' C1 C9 C8 -1.5(9) . . . . ?
C1' C1 C9 C10 177.9(5) . . . . ?
C1' C2' C3' C4' 0.3(10) . . . . ?
C1' C9' C10' C4' -2.3(9) . . . . ?
C1' C9' C10' C5' 179.8(6) . . . . ?
C2 P1 O1 C12 -152.0(5) . . . . ?
C2 P1 O2 C12' 62.0(6) . . . . ?
C2 C1 C1' C2' -84.3(8) . . . . ?
C2 C1 C1' C9' 97.1(7) . . . . ?
C2 C1 C9 C8 -177.8(6) . . . . ?
C2 C1 C9 C10 1.6(9) . . . . ?
C2 C3 C4 C10 -1.0(10) . . . . ?
C2' C1' C9' C8' -178.2(6) . . . . ?
C2' C1' C9' C10' 3.9(9) . . . . ?
C2' C3' C4' C10' 1.3(10) . . . . ?
C3 C4 C10 C5 177.9(6) . . . . ?
C3 C4 C10 C9 -1.6(9) . . . . ?
C3' C4' C10' C5' 177.6(7) . . . . ?
C3' C4' C10' C9' -0.3(10) . . . . ?
C5 C6 C7 C8 -2.4(14) . . . . ?
C5' C6' C7' C8' 1.6(13) . . . . ?
C6 C5 C10 C4 179.3(7) . . . . ?
C6 C5 C10 C9 -1.2(10) . . . . ?
C6 C7 C8 C9 2.6(13) . . . . ?
C6' C5' C10' C4' -176.5(8) . . . . ?
C6' C5' C10' C9' 1.4(12) . . . . ?
C6' C7' C8' C9' 1.7(12) . . . . ?
C7 C8 C9 C1 177.5(7) . . . . ?
C7 C8 C9 C10 -1.9(10) . . . . ?
C7' C8' C9' C1' 178.7(7) . . . . ?
C7' C8' C9' C10' -3.3(10) . . . . ?
C8 C9 C10 C4 -179.3(6) . . . . ?
C8 C9 C10 C5 1.3(9) . . . . ?
C8' C9' C10' C4' 179.7(6) . . . . ?
C8' C9' C10' C5' 1.8(10) . . . . ?
C9 C1 C1' C2' 99.6(7) . . . . ?
C9 C1 C1' C9' -79.1(7) . . . . ?
C9 C1 C2 P1 176.6(5) . . . . ?
C9 C1 C2 C3 -4.2(9) . . . . ?
C9' C1' C2' O3 178.5(5) . . . . ?
C9' C1' C2' C3' -3.0(9) . . . . ?
C10 C5 C6 C7 1.7(12) . . . . ?
C10' C5' C6' C7' -3.1(13) . . . . ?
C11 C11' C12' O2 -5.9(10) . . . . ?
C11 C11' C12' C13' -178.0(7) . . . . ?
C11 C11' C16' C15' 177.5(7) . . . . ?
C11 C12 C13 C14 0.2(11) . . . . ?
C11 C12 C13 C17 177.7(7) . . . . ?
C11' C11 C12 O1 -2.9(10) . . . . ?
C11' C11 C12 C13 -176.1(7) . . . . ?
C11' C11 C16 C15 175.1(8) . . . . ?
C11' C12' C13' C14' 0.3(10) . . . . ?
C11' C12' C13' C17' -179.5(7) . . . . ?
C12 C11 C11' C12' -37.7(11) . . . . ?
C12 C11 C11' C16' 143.4(7) . . . . ?
C12 C11 C16 C15 -3.1(12) . . . . ?
C12 C13 C14 C15 -1.4(12) . . . . ?
C12' C11' C16' C15' -1.4(11) . . . . ?
C12' C13' C14' C15' -0.8(11) . . . . ?
C13 C14 C15 C16 0.4(13) . . . . ?
C13' C14' C15' C16' 0.2(12) . . . . ?
C14 C15 C16 C11 2.0(13) . . . . ?
C14' C15' C16' C11' 1.0(12) . . . . ?
C16 C11 C11' C12' 144.2(7) . . . . ?
C16 C11 C11' C16' -34.6(11) . . . . ?
C16 C11 C12 O1 175.2(6) . . . . ?
C16 C11 C12 C13 2.0(11) . . . . ?
C16' C11' C12' O2 172.9(6) . . . . ?
C16' C11' C12' C13' 0.8(10) . . . . ?
C17 C13 C14 C15 -179.0(8) . . . . ?
C17' C13' C14' C15' 178.9(7) . . . . ?
C18 O3 C2' C1' -178.8(6) . . . . ?
C18 O3 C2' C3' 2.7(9) . . . . ?
C19 C19' C20' Rh1 112.9(6) . . . . ?
C19 C19' C20' O6 -11.5(8) . . . . ?
C19 C19' C20' C21' 164.4(6) . . . . ?
C19 C19' C27' Rh1 -115.3(5) . . . . ?
C19 C19' C27' C26' 12.5(9) . . . . ?
C19 C19' C27' C28' -168.3(6) . . . . ?
C19 C20 C21 C22 0.8(11) . . . . ?
C19 C27 C28 C22 3.7(11) . . . . ?
C19 C27 C28 C23 -178.1(7) . . . . ?
C19' C19 C20 P2 -1.5(8) . . . . ?
C19' C19 C20 C21 -179.8(6) . . . . ?
C19' C19 C27 C26 -0.7(11) . . . . ?
C19' C19 C27 C28 177.7(7) . . . . ?
C19' C20' C21' Rh1 -49.4(5) . . . . ?
C19' C20' C21' C22' 6.4(9) . . . . ?
C19' C27' C28' Rh1 47.4(5) . . . . ?
C19' C27' C28' C22' 1.1(9) . . . . ?
C19' C27' C28' C23' 178.2(6) . . . . ?
C20 P2 O4 C30 -65.3(6) . . . . ?
C20 P2 O5 C30' 162.4(5) . . . . ?
C20 C19 C19' Rh1 -2.8(8) . . . . ?
C20 C19 C19' C20' -92.6(8) . . . . ?
C20 C19 C19' C27' 90.7(7) . . . . ?
C20 C19 C27 C26 177.4(7) . . . . ?
C20 C19 C27 C28 -4.2(10) . . . . ?
C20 C21 C22 C28 -1.3(12) . . . . ?
C20' C19' C27' Rh1 67.9(5) . . . . ?
C20' C19' C27' C26' -164.2(6) . . . . ?
C20' C19' C27' C28' 14.9(9) . . . . ?
C20' C21' C22' Rh1 -56.4(5) . . . . ?
C20' C21' C22' C28' 10.6(10) . . . . ?
C21 C22 C28 C23 -179.2(8) . . . . ?
C21 C22 C28 C27 -1.0(12) . . . . ?
C21' C22' C28' Rh1 -63.3(6) . . . . ?
C21' C22' C28' C23' 169.0(7) . . . . ?
C21' C22' C28' C27' -14.1(10) . . . . ?
C23 C24 C25 C26 3.9(14) . . . . ?
C23' C24' C25' C26' -2.6(11) . . . . ?
C24 C23 C28 C22 179.7(7) . . . . ?
C24 C23 C28 C27 1.5(12) . . . . ?
C24 C25 C26 C27 -1.9(13) . . . . ?
C24' C23' C28' Rh1 92.5(9) . . . . ?
C24' C23' C28' C22' 178.6(7) . . . . ?
C24' C23' C28' C27' 1.7(10) . . . . ?
C24' C25' C26' C27' 1.7(12) . . . . ?
C25 C26 C27 C19 178.2(7) . . . . ?
C25 C26 C27 C28 -0.1(11) . . . . ?
C25' C26' C27' Rh1 -96.1(9) . . . . ?
C25' C26' C27' C19' -179.9(7) . . . . ?
C25' C26' C27' C28' 0.9(10) . . . . ?
C26 C27 C28 C22 -177.9(7) . . . . ?
C26 C27 C28 C23 0.3(11) . . . . ?
C26' C27' C28' Rh1 -133.4(6) . . . . ?
C26' C27' C28' C22' -179.7(6) . . . . ?
C26' C27' C28' C23' -2.6(10) . . . . ?
C27 C19 C19' Rh1 175.4(5) . . . . ?
C27 C19 C19' C20' 85.6(8) . . . . ?
C27 C19 C19' C27' -91.1(8) . . . . ?
C27 C19 C20 P2 -179.7(5) . . . . ?
C27 C19 C20 C21 2.0(10) . . . . ?
C27' C19' C20' Rh1 -70.5(5) . . . . ?
C27' C19' C20' O6 165.1(5) . . . . ?
C27' C19' C20' C21' -19.0(9) . . . . ?
C28 C23 C24 C25 -3.6(13) . . . . ?
C28' C23' C24' C25' 0.8(10) . . . . ?
C29 C29' C30' O5 -2.4(10) . . . . ?
C29 C29' C30' C31' 173.3(6) . . . . ?
C29 C29' C34' C33' -174.0(8) . . . . ?
C29 C30 C31 C32 -3.2(11) . . . . ?
C29 C30 C31 C35 174.9(7) . . . . ?
C29' C29 C30 O4 9.9(10) . . . . ?
C29' C29 C30 C31 -175.4(7) . . . . ?
C29' C29 C34 C33 179.0(7) . . . . ?
C29' C30' C31' C32' 0.3(10) . . . . ?
C29' C30' C31' C35' -179.0(7) . . . . ?
C30 C29 C29' C30' 40.2(10) . . . . ?
C30 C29 C29' C34' -143.7(8) . . . . ?
C30 C29 C34 C33 0.2(11) . . . . ?
C30 C31 C32 C33 -0.5(12) . . . . ?
C30' C29' C34' C33' 2.3(12) . . . . ?
C30' C31' C32' C33' 3.3(11) . . . . ?
C31 C32 C33 C34 3.9(14) . . . . ?
C31' C32' C33' C34' -4.1(13) . . . . ?
C32 C33 C34 C29 -3.8(13) . . . . ?
C32' C33' C34' C29' 1.1(13) . . . . ?
C34 C29 C29' C30' -138.5(7) . . . . ?
C34 C29 C29' C34' 37.6(10) . . . . ?
C34 C29 C30 O4 -171.4(6) . . . . ?
C34 C29 C30 C31 3.3(10) . . . . ?
C34' C29' C30' O5 -178.7(6) . . . . ?
C34' C29' C30' C31' -3.1(10) . . . . ?
C35 C31 C32 C33 -178.6(8) . . . . ?
C35' C31' C32' C33' -177.5(8) . . . . ?
C36 O6 C20' Rh1 80.3(8) . . . . ?
C36 O6 C20' C19' 161.2(6) . . . . ?
C36 O6 C20' C21' -14.5(9) . . . . ?
C37 C37' C38' O9 -0.9(10) . . . . ?
C37 C37' C38' C39' 175.1(7) . . . . ?
C37 C37' C45' C44' 2.7(10) . . . . ?
C37 C37' C45' C46' -176.5(6) . . . . ?
C37 C38 C39 C40 3.1(10) . . . . ?
C37 C45 C46 C40 2.2(9) . . . . ?
C37 C45 C46 C41 -176.7(6) . . . . ?
C37' C37 C38 P3 1.8(9) . . . . ?
C37' C37 C38 C39 -180.0(6) . . . . ?
C37' C37 C45 C44 -0.4(10) . . . . ?
C37' C37 C45 C46 177.5(6) . . . . ?
C37' C38' C39' C40' 3.3(11) . . . . ?
C37' C45' C46' C40' -0.6(10) . . . . ?
C37' C45' C46' C41' 179.6(7) . . . . ?
C38 P3 O7 C48 -151.4(5) . . . . ?
C38 P3 O8 C48' 61.6(5) . . . . ?
C38 C37 C37' C38' -84.4(8) . . . . ?
C38 C37 C37' C45' 95.9(8) . . . . ?
C38 C37 C45 C44 -178.9(7) . . . . ?
C38 C37 C45 C46 -0.9(9) . . . . ?
C38 C39 C40 C46 -1.8(11) . . . . ?
C38' C37' C45' C44' -177.0(7) . . . . ?
C38' C37' C45' C46' 3.8(10) . . . . ?
C38' C39' C40' C46' 0.0(12) . . . . ?
C39 C40 C46 C41 178.0(7) . . . . ?
C39 C40 C46 C45 -0.8(10) . . . . ?
C39' C40' C46' C41' 178.5(8) . . . . ?
C39' C40' C46' C45' -1.3(11) . . . . ?
C41 C42 C43 C44 -0.5(14) . . . . ?
C41' C42' C43' C44' -1.8(13) . . . . ?
C42 C41 C46 C40 -180.0(7) . . . . ?
C42 C41 C46 C45 -1.1(10) . . . . ?
C42 C43 C44 C45 0.7(14) . . . . ?
C42' C41' C46' C40' 179.9(8) . . . . ?
C42' C41' C46' C45' -0.3(12) . . . . ?
C42' C43' C44' C45' 1.8(13) . . . . ?
C43 C44 C45 C37 176.8(8) . . . . ?
C43 C44 C45 C46 -1.2(12) . . . . ?
C43' C44' C45' C37' 179.7(7) . . . . ?
C43' C44' C45' C46' -1.1(11) . . . . ?
C44 C45 C46 C40 -179.8(7) . . . . ?
C44 C45 C46 C41 1.4(10) . . . . ?
C44' C45' C46' C40' -179.9(7) . . . . ?
C44' C45' C46' C41' 0.4(11) . . . . ?
C45 C37 C37' C38' 97.2(8) . . . . ?
C45 C37 C37' C45' -82.5(7) . . . . ?
C45 C37 C38 P3 -179.9(5) . . . . ?
C45 C37 C38 C39 -1.6(9) . . . . ?
C45' C37' C38' O9 178.8(6) . . . . ?
C45' C37' C38' C39' -5.2(11) . . . . ?
C46 C41 C42 C43 0.7(12) . . . . ?
C46' C41' C42' C43' 1.0(12) . . . . ?
C47 C47' C48' O8 -6.8(11) . . . . ?
C47 C47' C48' C49' -179.5(7) . . . . ?
C47 C47' C52' C51' 178.4(7) . . . . ?
C47 C48 C49 C50 -0.3(11) . . . . ?
C47 C48 C49 C53 178.1(7) . . . . ?
C47' C47 C48 O7 -5.0(10) . . . . ?
C47' C47 C48 C49 -176.8(7) . . . . ?
C47' C47 C52 C51 176.9(8) . . . . ?
C47' C48' C49' C50' 1.3(11) . . . . ?
C47' C48' C49' C53' 179.6(7) . . . . ?
C48 C47 C47' C48' -34.7(12) . . . . ?
C48 C47 C47' C52' 145.1(7) . . . . ?
C48 C47 C52 C51 -2.9(12) . . . . ?
C48 C49 C50 C51 -2.6(12) . . . . ?
C48' C47' C52' C51' -1.8(12) . . . . ?
C48' C49' C50' C51' -2.1(11) . . . . ?
C49 C50 C51 C52 2.7(13) . . . . ?
C49' C50' C51' C52' 1.1(13) . . . . ?
C50 C51 C52 C47 0.1(13) . . . . ?
C50' C51' C52' C47' 0.9(13) . . . . ?
C52 C47 C47' C48' 145.5(8) . . . . ?
C52 C47 C47' C52' -34.7(11) . . . . ?
C52 C47 C48 O7 174.8(6) . . . . ?
C52 C47 C48 C49 3.0(11) . . . . ?
C52' C47' C48' O8 173.4(6) . . . . ?
C52' C47' C48' C49' 0.6(11) . . . . ?
C53 C49 C50 C51 179.0(8) . . . . ?
C53' C49' C50' C51' 179.5(8) . . . . ?
C54 O9 C38' C37' -171.7(7) . . . . ?
C54 O9 C38' C39' 12.3(10) . . . . ?
C55 C55' C56' Rh2 111.8(6) . . . . ?
C55 C55' C56' O12 -11.4(9) . . . . ?
C55 C55' C56' C57' 164.7(6) . . . . ?
C55 C55' C63' Rh2 -114.9(6) . . . . ?
C55 C55' C63' C62' 9.0(10) . . . . ?
C55 C55' C63' C64' -166.8(6) . . . . ?
C55 C56 C57 C58 0.7(10) . . . . ?
C55 C63 C64 C58 2.5(9) . . . . ?
C55 C63 C64 C59 -176.9(6) . . . . ?
C55' C55 C56 P4 -0.5(8) . . . . ?
C55' C55 C56 C57 -179.5(6) . . . . ?
C55' C55 C63 C62 -1.9(10) . . . . ?
C55' C55 C63 C64 177.9(6) . . . . ?
C55' C56' C57' Rh2 -50.1(5) . . . . ?
C55' C56' C57' C58' 6.2(9) . . . . ?
C55' C63' C64' Rh2 45.6(5) . . . . ?
C55' C63' C64' C58' -2.4(9) . . . . ?
C55' C63' C64' C59' 175.5(6) . . . . ?
C56 P4 O10 C66 -66(2) . . . . ?
C56 P4 O11 C66' 167.5(15) . . . . ?
C56 P4 O13 C74 -63(5) . . . . ?
C56 P4 O14 C74' 157(4) . . . . ?
C56 C55 C55' Rh2 -3.3(8) . . . . ?
C56 C55 C55' C56' -92.5(8) . . . . ?
C56 C55 C55' C63' 92.5(7) . . . . ?
C56 C55 C63 C62 177.7(6) . . . . ?
C56 C55 C63 C64 -2.5(9) . . . . ?
C56 C57 C58 C64 -0.7(11) . . . . ?
C56' C55' C63' Rh2 70.3(6) . . . . ?
C56' C55' C63' C62' -165.9(7) . . . . ?
C56' C55' C63' C64' 18.3(10) . . . . ?
C56' C57' C58' Rh2 -56.4(5) . . . . ?
C56' C57' C58' C64' 9.3(10) . . . . ?
C57 C58 C64 C59 178.5(7) . . . . ?
C57 C58 C64 C63 -0.9(10) . . . . ?
C57' C58' C64' Rh2 -62.2(6) . . . . ?
C57' C58' C64' C59' 171.2(7) . . . . ?
C57' C58' C64' C63' -11.0(10) . . . . ?
C59 C60 C61 C62 2.1(13) . . . . ?
C59' C60' C61' C62' -0.7(13) . . . . ?
C60 C59 C64 C58 177.2(7) . . . . ?
C60 C59 C64 C63 -3.4(11) . . . . ?
C60 C61 C62 C63 -2.5(12) . . . . ?
C60' C59' C64' Rh2 94.9(10) . . . . ?
C60' C59' C64' C58' -179.2(8) . . . . ?
C60' C59' C64' C63' 3.0(11) . . . . ?
C60' C61' C62' C63' 3.2(12) . . . . ?
C61 C62 C63 C55 179.8(7) . . . . ?
C61 C62 C63 C64 0.0(11) . . . . ?
C61' C62' C63' Rh2 -97.7(9) . . . . ?
C61' C62' C63' C55' -178.2(7) . . . . ?
C61' C62' C63' C64' -2.6(11) . . . . ?
C62 C63 C64 C58 -177.7(6) . . . . ?
C62 C63 C64 C59 2.9(10) . . . . ?
C62' C63' C64' Rh2 -130.4(7) . . . . ?
C62' C63' C64' C58' -178.4(6) . . . . ?
C62' C63' C64' C59' -0.5(10) . . . . ?
C63 C55 C55' Rh2 176.2(5) . . . . ?
C63 C55 C55' C56' 87.1(8) . . . . ?
C63 C55 C55' C63' -88.0(8) . . . . ?
C63 C55 C56 P4 180.0(5) . . . . ?
C63 C55 C56 C57 0.9(9) . . . . ?
C63' C55' C56' Rh2 -73.4(6) . . . . ?
C63' C55' C56' O12 163.3(6) . . . . ?
C63' C55' C56' C57' -20.5(9) . . . . ?
C64 C59 C60 C61 0.9(12) . . . . ?
C64' C59' C60' C61' -2.4(13) . . . . ?
C72 O12 C56' Rh2 80.0(8) . . . . ?
C72 O12 C56' C55' 161.3(6) . . . . ?
C72 O12 C56' C57' -14.7(9) . . . . ?
O10 P4 C56 C55 -118.6(7) . . . . ?
O10 P4 C56 C57 60.5(8) . . . . ?
O10 P4 O11 C66' 56.1(18) . . . . ?
O10 C66 C67 C68 170(2) . . . . ?
O10 C66 C67 C71 -13(4) . . . . ?
O11 P4 C56 C55 137.7(10) . . . . ?
O11 P4 C56 C57 -43.2(10) . . . . ?
O11 P4 O10 C66 34(2) . . . . ?
O11 C66' C67' C68' 175(2) . . . . ?
O11 C66' C67' C71' -11(4) . . . . ?
C65 C65' C66' O11 0(4) . . . . ?
C65 C65' C66' C67' 169(2) . . . . ?
C65 C65' C70' C69' -173.2(18) . . . . ?
C65 C66 C67 C68 0(4) . . . . ?
C65 C66 C67 C71 177(2) . . . . ?
C65' C65 C66 O10 13(4) . . . . ?
C65' C65 C66 C67 -178(3) . . . . ?
C65' C65 C70 C69 178.4(18) . . . . ?
C65' C66' C67' C68' 6(4) . . . . ?
C65' C66' C67' C71' -180(2) . . . . ?
C66 C65 C65' C66' 38(3) . . . . ?
C66 C65 C65' C70' -150(3) . . . . ?
C66 C65 C70 C69 2(3) . . . . ?
C66 C67 C68 C69 0(3) . . . . ?
C66' C65' C70' C69' -1(3) . . . . ?
C66' C67' C68' C69' -4(3) . . . . ?
C67 C68 C69 C70 1(3) . . . . ?
C67' C68' C69' C70' 0(3) . . . . ?
C68 C69 C70 C65 -2(3) . . . . ?
C68' C69' C70' C65' 3(3) . . . . ?
C70 C65 C65' C66' -138(3) . . . . ?
C70 C65 C65' C70' 33(3) . . . . ?
C70 C65 C66 O10 -170(3) . . . . ?
C70 C65 C66 C67 -1(4) . . . . ?
C70' C65' C66' O11 -172(3) . . . . ?
C70' C65' C66' C67' -4(4) . . . . ?
C71 C67 C68 C69 -176.9(19) . . . . ?
C71' C67' C68' C69' -178.2(19) . . . . ?
O13 P4 C56 C55 -114.9(14) . . . . ?
O13 P4 C56 C57 64.2(15) . . . . ?
O13 P4 O14 C74' 45(5) . . . . ?
O13 C74 C75 C76 177(6) . . . . ?
O13 C74 C75 C79 -4(10) . . . . ?
O14 P4 C56 C55 139(2) . . . . ?
O14 P4 C56 C57 -42(2) . . . . ?
O14 P4 O13 C74 41(6) . . . . ?
O14 C74' C75' C76' 177(6) . . . . ?
O14 C74' C75' C79' 12(11) . . . . ?
C73 C73' C74' O14 -7(10) . . . . ?
C73 C73' C74' C75' -178(6) . . . . ?
C73 C73' C78' C77' -175(5) . . . . ?
C73 C74 C75 C76 -7(11) . . . . ?
C73 C74 C75 C79 171(7) . . . . ?
C73' C73 C74 O13 4(10) . . . . ?
C73' C73 C74 C75 -171(7) . . . . ?
C73' C73 C78 C77 176(5) . . . . ?
C73' C74' C75' C76' -12(11) . . . . ?
C73' C74' C75' C79' -177(7) . . . . ?
C74 C73 C73' C74' 44(9) . . . . ?
C74 C73 C73' C78' -137(7) . . . . ?
C74 C73 C78 C77 -8(9) . . . . ?
C74 C75 C76 C77 -4(9) . . . . ?
C74' C73' C78' C77' 5(9) . . . . ?
C74' C75' C76' C77' 14(9) . . . . ?
C75 C76 C77 C78 8(8) . . . . ?
C75' C76' C77' C78' -7(8) . . . . ?
C76 C77 C78 C73 -2(8) . . . . ?
C76' C77' C78' C73' -2(9) . . . . ?
C78 C73 C73' C74' -140(7) . . . . ?
C78 C73 C73' C78' 39(8) . . . . ?
C78 C73 C74 O13 -172(7) . . . . ?
C78 C73 C74 C75 13(11) . . . . ?
C78' C73' C74' O14 174(7) . . . . ?
C78' C73' C74' C75' 3(11) . . . . ?
C79 C75 C76 C77 178(5) . . . . ?
C79' C75' C76' C77' 179(5) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.340 0.516 -0.025 653.4 166.2 ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 -1 0 0.0400 0.0006 -0.9999 0.0001 0.0728 0.0612 -0.0037
-3 1 -2 0.0446 -3.0013 0.9975 -2.0009 0.1618 -0.3828 -0.0424
1 2 1 0.0530 0.9992 2.0006 1.0002 -0.2168 -0.0076 0.0521
3 -1 2 0.0446 3.0013 -0.9975 2.0009 -0.1618 0.3828 0.0424
1 0 0 0.0360 1.0000 0.0006 0.0001 -0.0923 0.0921 -0.0433
0 0 -1 0.0939 -0.0003 -0.0003 -1.0002 -0.0212 -0.0226 -0.0880
0 0 1 0.0539 0.0003 0.0003 1.0002 0.0212 0.0226 0.0880
0 1 0 0.0400 -0.0006 0.9999 -0.0001 -0.0728 -0.0612 0.0037

_olex2_submission_special_instructions 'No special instructions were received'
