# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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. 
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data_rd2206
_database_code_depnum_ccdc_archive 'CCDC 2295527'
loop_
_audit_author_name
_audit_author_address
'Frank W. Heinemann'
;Friedrich Alexander Universitaet Erlangen Nuernberg
Germany
;
_audit_update_record             
;
2023-09-18 deposited with the CCDC.	2023-10-31 downloaded from the CCDC.
;
_audit_creation_date             2022-06-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H29 B N O2 P'
_chemical_formula_sum            'C40 H29 B N O2 P'
_chemical_formula_weight         597.42
_chemical_absolute_configuration ad
_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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_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                   7.8461(10)
_cell_length_b                   15.3010(19)
_cell_length_c                   13.0363(15)
_cell_angle_alpha                90
_cell_angle_beta                 98.601(4)
_cell_angle_gamma                90
_cell_volume                     1547.4(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9417
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.85
_shelx_estimated_absorpt_T_max   0.981
_shelx_estimated_absorpt_T_min   0.973
_exptl_absorpt_coefficient_mu    0.127
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0879 before and 0.0579 after correction.
The Ratio of minimum to maximum transmission is 0.9023.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_unetI/netI     0.0200
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            119304
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.542
_diffrn_reflns_theta_min         2.625
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_source         'ImuS high brilliance micro-focus tube'
_diffrn_radiation_monochromator  'Quazar focussing montel optics'
_diffrn_measurement_device_type  'Bruker Kappa ImuS Duo Photon II CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.932
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                9154
_reflns_number_total             9440
_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_data_collection       'Bruker APEX3 (Bruker AXS, 2015)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS, 2016)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS, 2016)'
_computing_structure_solution    'SHELX XT 2014/5 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_diff_density_max         0.284
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.041
_refine_ls_abs_structure_details 
;
 Flack x determined using 4286 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.013(14)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         9440
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0307
_refine_ls_restrained_S_all      1.054
_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)+(0.0515P)²+0.2188P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0812
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All B(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23),
  C25(H25), C26(H26), C27(H27), C28(H28), C33(H33), C34(H34), C35(H35),
 C36(H36), C38(H38), C39(H39)
;
_atom_sites_solution_hydrogens   mixed
_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
P1 P 0.40069(5) 0.55412(2) 0.20367(3) 0.01374(8) Uani 1 1 d . . . . .
O1 O 0.44958(14) 0.64670(7) 0.26084(8) 0.0151(2) Uani 1 1 d . . . . .
O2 O 0.21929(14) 0.53255(7) 0.24149(9) 0.0169(2) Uani 1 1 d . . . . .
N1 N 0.55153(17) 0.49002(9) 0.26392(9) 0.0144(2) Uani 1 1 d . . . . .
B1 B 0.3697(2) 0.55180(14) 0.05756(13) 0.0202(3) Uani 1 1 d . . . . .
H1A H 0.265(3) 0.6044(18) 0.033(2) 0.030 Uiso 1 1 d R . . . .
H1B H 0.501(3) 0.5659(17) 0.0360(19) 0.030 Uiso 1 1 d R . . . .
H1C H 0.328(3) 0.4864(18) 0.040(2) 0.030 Uiso 1 1 d R . . . .
C1 C 0.65544(19) 0.43570(10) 0.20703(11) 0.0146(3) Uani 1 1 d . . . . .
C2 C 0.8077(2) 0.46916(11) 0.17971(11) 0.0171(3) Uani 1 1 d . . . . .
H2 H 0.840459 0.527911 0.195921 0.021 Uiso 1 1 calc R . . . .
C3 C 0.9117(2) 0.41565(11) 0.12834(11) 0.0185(3) Uani 1 1 d . . . . .
H3 H 1.016710 0.437545 0.110438 0.022 Uiso 1 1 calc R . . . .
C4 C 0.8613(2) 0.33027(11) 0.10348(11) 0.0177(3) Uani 1 1 d . . . . .
H4 H 0.931642 0.294058 0.067944 0.021 Uiso 1 1 calc R . . . .
C5 C 0.7087(2) 0.29745(10) 0.13023(11) 0.0162(3) Uani 1 1 d . . . . .
H5 H 0.673875 0.239504 0.111093 0.019 Uiso 1 1 calc R . . . .
C6 C 0.60553(19) 0.34920(10) 0.18528(11) 0.0142(3) Uani 1 1 d . . . . .
C7 C 0.45888(19) 0.30838(10) 0.22604(11) 0.0146(3) Uani 1 1 d . . . . .
C8 C 0.4207(2) 0.32442(10) 0.32237(12) 0.0164(3) Uani 1 1 d . . . . .
H8 H 0.329039 0.291051 0.342367 0.020 Uiso 1 1 calc R . . . .
C9 C 0.5033(2) 0.38672(10) 0.39929(11) 0.0161(3) Uani 1 1 d . . . . .
C10 C 0.5132(2) 0.36748(12) 0.50565(12) 0.0201(3) Uani 1 1 d . . . . .
H10 H 0.469522 0.313389 0.526326 0.024 Uiso 1 1 calc R . . . .
C11 C 0.5858(2) 0.42643(13) 0.58085(12) 0.0234(3) Uani 1 1 d . . . . .
H11 H 0.592318 0.412226 0.652268 0.028 Uiso 1 1 calc R . . . .
C12 C 0.6488(2) 0.50599(13) 0.55178(13) 0.0246(3) Uani 1 1 d . . . . .
H12 H 0.698795 0.545986 0.603419 0.029 Uiso 1 1 calc R . . . .
C13 C 0.6391(2) 0.52747(12) 0.44730(12) 0.0203(3) Uani 1 1 d . . . . .
H13 H 0.682096 0.581955 0.427352 0.024 Uiso 1 1 calc R . . . .
C14 C 0.5657(2) 0.46822(11) 0.37227(11) 0.0157(3) Uani 1 1 d . . . . .
C15 C 0.3603(2) 0.24027(11) 0.16089(12) 0.0173(3) Uani 1 1 d . . . . .
C16 C 0.2966(2) 0.25683(11) 0.05669(13) 0.0215(3) Uani 1 1 d . . . . .
H16 H 0.322265 0.310607 0.025938 0.026 Uiso 1 1 calc R . . . .
C17 C 0.1956(2) 0.19456(13) -0.00207(15) 0.0287(4) Uani 1 1 d . . . . .
H17 H 0.151410 0.206385 -0.072581 0.034 Uiso 1 1 calc R . . . .
C18 C 0.1593(3) 0.11558(15) 0.04167(18) 0.0348(5) Uani 1 1 d . . . . .
H18 H 0.087756 0.074018 0.001802 0.042 Uiso 1 1 calc R . . . .
C19 C 0.2276(3) 0.09712(14) 0.14391(18) 0.0363(5) Uani 1 1 d . . . . .
H19 H 0.205728 0.042203 0.173361 0.044 Uiso 1 1 calc R . . . .
C20 C 0.3280(3) 0.15920(13) 0.20314(14) 0.0294(4) Uani 1 1 d . . . . .
H20 H 0.374934 0.146282 0.272934 0.035 Uiso 1 1 calc R . . . .
C21 C 0.32368(19) 0.71232(10) 0.24148(11) 0.0145(3) Uani 1 1 d . . . . .
C22 C 0.3502(2) 0.77751(10) 0.16878(11) 0.0171(3) Uani 1 1 d . . . . .
H22 H 0.449956 0.776348 0.135510 0.021 Uiso 1 1 calc R . . . .
C23 C 0.2301(2) 0.84239(11) 0.14697(11) 0.0177(3) Uani 1 1 d . . . . .
H23 H 0.249914 0.888319 0.101156 0.021 Uiso 1 1 calc R . . . .
C24 C 0.0764(2) 0.84178(10) 0.19204(11) 0.0164(3) Uani 1 1 d . . . . .
C25 C -0.0577(2) 0.90334(11) 0.16098(13) 0.0208(3) Uani 1 1 d . . . . .
H25 H -0.040955 0.947604 0.112361 0.025 Uiso 1 1 calc R . . . .
C26 C -0.2098(2) 0.89986(12) 0.19986(14) 0.0236(3) Uani 1 1 d . . . . .
H26 H -0.297757 0.941543 0.178602 0.028 Uiso 1 1 calc R . . . .
C27 C -0.2358(2) 0.83381(12) 0.27199(13) 0.0219(3) Uani 1 1 d . . . . .
H27 H -0.341500 0.831623 0.299177 0.026 Uiso 1 1 calc R . . . .
C28 C -0.1101(2) 0.77283(11) 0.30321(12) 0.0183(3) Uani 1 1 d . . . . .
H28 H -0.130808 0.728459 0.350810 0.022 Uiso 1 1 calc R . . . .
C29 C 0.0509(2) 0.77529(10) 0.26509(11) 0.0149(3) Uani 1 1 d . . . . .
C30 C 0.18254(19) 0.71076(10) 0.29317(11) 0.0140(3) Uani 1 1 d . . . . .
C31 C 0.16366(19) 0.63946(10) 0.36864(11) 0.0144(3) Uani 1 1 d . . . . .
C32 C 0.12842(19) 0.65629(10) 0.47211(11) 0.0151(3) Uani 1 1 d . . . . .
C33 C 0.1292(2) 0.74185(11) 0.51440(11) 0.0170(3) Uani 1 1 d . . . . .
H33 H 0.153926 0.790354 0.473589 0.020 Uiso 1 1 calc R . . . .
C34 C 0.0946(2) 0.75558(12) 0.61350(12) 0.0206(3) Uani 1 1 d . . . . .
H34 H 0.096547 0.813294 0.640517 0.025 Uiso 1 1 calc R . . . .
C35 C 0.0563(2) 0.68449(13) 0.67551(13) 0.0238(3) Uani 1 1 d . . . . .
H35 H 0.029057 0.694525 0.743119 0.029 Uiso 1 1 calc R . . . .
C36 C 0.0587(2) 0.60117(12) 0.63762(13) 0.0219(3) Uani 1 1 d . . . . .
H36 H 0.035415 0.553553 0.680177 0.026 Uiso 1 1 calc R . . . .
C37 C 0.0953(2) 0.58441(11) 0.53603(12) 0.0173(3) Uani 1 1 d . . . . .
C38 C 0.0988(2) 0.49781(11) 0.49754(13) 0.0192(3) Uani 1 1 d . . . . .
H38 H 0.071692 0.450233 0.539057 0.023 Uiso 1 1 calc R . . . .
C39 C 0.1409(2) 0.48232(10) 0.40113(13) 0.0182(3) Uani 1 1 d . . . . .
H39 H 0.145121 0.424220 0.375934 0.022 Uiso 1 1 calc R . . . .
C40 C 0.17812(18) 0.55358(11) 0.33949(11) 0.0152(2) Uani 1 1 d . . . . .


_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
P1 O1 1.6198(11) . ?
P1 O2 1.6086(11) . ?
P1 N1 1.6435(14) . ?
P1 B1 1.8841(17) . ?
O1 C21 1.4047(18) . ?
O2 C40 1.4013(17) . ?
N1 C1 1.4444(19) . ?
N1 C14 1.4395(18) . ?
B1 H1A 1.16(3) . ?
B1 H1B 1.12(3) . ?
B1 H1C 1.07(3) . ?
C1 C2 1.394(2) . ?
C1 C6 1.397(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.396(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.389(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.391(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.404(2) . ?
C6 C7 1.476(2) . ?
C7 C8 1.356(2) . ?
C7 C15 1.486(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.463(2) . ?
C9 C10 1.408(2) . ?
C9 C14 1.404(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.390(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.392(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(2) . ?
C15 C16 1.399(2) . ?
C15 C20 1.396(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.393(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.384(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.392(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.413(2) . ?
C21 C30 1.380(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.369(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.418(2) . ?
C24 C25 1.425(2) . ?
C24 C29 1.428(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.366(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.416(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.374(2) . ?
C28 H28 0.9500 . ?
C28 C29 1.425(2) . ?
C29 C30 1.436(2) . ?
C30 C31 1.491(2) . ?
C31 C32 1.440(2) . ?
C31 C40 1.377(2) . ?
C32 C33 1.420(2) . ?
C32 C37 1.427(2) . ?
C33 H33 0.9500 . ?
C33 C34 1.375(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.414(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.368(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.420(2) . ?
C37 C38 1.419(2) . ?
C38 H38 0.9500 . ?
C38 C39 1.367(2) . ?
C39 H39 0.9500 . ?
C39 C40 1.411(2) . ?

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
O1 P1 N1 101.42(6) . . ?
O1 P1 B1 117.87(8) . . ?
O2 P1 O1 101.42(6) . . ?
O2 P1 N1 109.76(6) . . ?
O2 P1 B1 108.64(7) . . ?
N1 P1 B1 116.53(8) . . ?
C21 O1 P1 115.51(9) . . ?
C40 O2 P1 124.57(9) . . ?
C1 N1 P1 121.29(10) . . ?
C14 N1 P1 123.48(10) . . ?
C14 N1 C1 113.81(12) . . ?
P1 B1 H1A 104.2(13) . . ?
P1 B1 H1B 105.3(12) . . ?
P1 B1 H1C 103.0(14) . . ?
H1A B1 H1B 115.7(19) . . ?
H1A B1 H1C 114(2) . . ?
H1B B1 H1C 112.8(19) . . ?
C2 C1 N1 119.41(14) . . ?
C2 C1 C6 121.39(14) . . ?
C6 C1 N1 119.12(13) . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.48(15) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.81(15) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.47(15) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.57(15) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 118.20(14) . . ?
C1 C6 C7 122.52(13) . . ?
C5 C6 C7 119.03(14) . . ?
C6 C7 C15 117.26(12) . . ?
C8 C7 C6 123.26(13) . . ?
C8 C7 C15 119.21(13) . . ?
C7 C8 H8 116.0 . . ?
C7 C8 C9 128.06(14) . . ?
C9 C8 H8 116.0 . . ?
C10 C9 C8 119.50(14) . . ?
C14 C9 C8 122.83(13) . . ?
C14 C9 C10 117.57(14) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121.01(16) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.12(15) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.31(16) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.31(16) . . ?
C14 C13 H13 120.3 . . ?
C9 C14 N1 118.26(13) . . ?
C13 C14 N1 120.07(14) . . ?
C13 C14 C9 121.67(14) . . ?
C16 C15 C7 120.52(15) . . ?
C20 C15 C7 120.49(15) . . ?
C20 C15 C16 118.99(15) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.09(17) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.38(18) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 119.96(17) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 119.90(19) . . ?
C20 C19 H19 120.0 . . ?
C15 C20 H20 119.7 . . ?
C19 C20 C15 120.58(19) . . ?
C19 C20 H20 119.7 . . ?
O1 C21 C22 117.07(13) . . ?
C30 C21 O1 119.60(13) . . ?
C30 C21 C22 123.33(14) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 C21 119.04(14) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 H23 119.6 . . ?
C22 C23 C24 120.71(14) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C25 121.01(15) . . ?
C23 C24 C29 119.58(14) . . ?
C25 C24 C29 119.30(15) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.18(16) . . ?
C26 C25 H25 119.4 . . ?
C25 C26 H26 120.2 . . ?
C25 C26 C27 119.67(16) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.87(16) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 H28 119.6 . . ?
C27 C28 C29 120.86(15) . . ?
C29 C28 H28 119.6 . . ?
C24 C29 C30 119.51(14) . . ?
C28 C29 C24 118.11(14) . . ?
C28 C29 C30 122.28(14) . . ?
C21 C30 C29 117.56(13) . . ?
C21 C30 C31 120.07(13) . . ?
C29 C30 C31 122.17(13) . . ?
C32 C31 C30 122.63(13) . . ?
C40 C31 C30 119.70(13) . . ?
C40 C31 C32 117.66(13) . . ?
C33 C32 C31 122.56(13) . . ?
C33 C32 C37 118.32(13) . . ?
C37 C32 C31 119.11(14) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 C32 121.03(15) . . ?
C34 C33 H33 119.5 . . ?
C33 C34 H34 119.7 . . ?
C33 C34 C35 120.54(16) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 120.2 . . ?
C36 C35 C34 119.65(15) . . ?
C36 C35 H35 120.2 . . ?
C35 C36 H36 119.3 . . ?
C35 C36 C37 121.38(16) . . ?
C37 C36 H36 119.3 . . ?
C36 C37 C32 119.03(15) . . ?
C38 C37 C32 119.90(14) . . ?
C38 C37 C36 121.07(15) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.48(14) . . ?
C39 C38 H38 119.8 . . ?
C38 C39 H39 120.4 . . ?
C38 C39 C40 119.26(15) . . ?
C40 C39 H39 120.4 . . ?
O2 C40 C39 115.94(14) . . ?
C31 C40 O2 120.69(13) . . ?
C31 C40 C39 123.21(14) . . ?

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
P1 O1 C21 C22 -101.58(13) . . . . ?
P1 O1 C21 C30 78.59(15) . . . . ?
P1 O2 C40 C31 66.03(17) . . . . ?
P1 O2 C40 C39 -118.46(13) . . . . ?
P1 N1 C1 C2 89.01(16) . . . . ?
P1 N1 C1 C6 -94.27(15) . . . . ?
P1 N1 C14 C9 100.61(16) . . . . ?
P1 N1 C14 C13 -79.07(18) . . . . ?
O1 P1 O2 C40 -34.94(13) . . . . ?
O1 P1 N1 C1 -128.70(12) . . . . ?
O1 P1 N1 C14 65.71(13) . . . . ?
O1 C21 C22 C23 179.53(13) . . . . ?
O1 C21 C30 C29 -175.37(12) . . . . ?
O1 C21 C30 C31 -0.4(2) . . . . ?
O2 P1 O1 C21 -54.47(11) . . . . ?
O2 P1 N1 C1 124.62(12) . . . . ?
O2 P1 N1 C14 -40.97(14) . . . . ?
N1 P1 O1 C21 -167.58(10) . . . . ?
N1 P1 O2 C40 71.75(13) . . . . ?
N1 C1 C2 C3 177.48(13) . . . . ?
N1 C1 C6 C5 -179.78(13) . . . . ?
N1 C1 C6 C7 -5.5(2) . . . . ?
B1 P1 O1 C21 63.93(12) . . . . ?
B1 P1 O2 C40 -159.79(13) . . . . ?
B1 P1 N1 C1 0.64(15) . . . . ?
B1 P1 N1 C14 -164.95(13) . . . . ?
C1 N1 C14 C9 -65.95(18) . . . . ?
C1 N1 C14 C13 114.37(16) . . . . ?
C1 C2 C3 C4 1.1(2) . . . . ?
C1 C6 C7 C8 -37.4(2) . . . . ?
C1 C6 C7 C15 148.63(14) . . . . ?
C2 C1 C6 C5 -3.1(2) . . . . ?
C2 C1 C6 C7 171.13(14) . . . . ?
C2 C3 C4 C5 -0.6(2) . . . . ?
C3 C4 C5 C6 -1.8(2) . . . . ?
C4 C5 C6 C1 3.6(2) . . . . ?
C4 C5 C6 C7 -170.88(14) . . . . ?
C5 C6 C7 C8 136.83(16) . . . . ?
C5 C6 C7 C15 -37.2(2) . . . . ?
C6 C1 C2 C3 0.8(2) . . . . ?
C6 C7 C8 C9 4.8(3) . . . . ?
C6 C7 C15 C16 -51.7(2) . . . . ?
C6 C7 C15 C20 129.09(17) . . . . ?
C7 C8 C9 C10 -148.29(17) . . . . ?
C7 C8 C9 C14 35.4(3) . . . . ?
C7 C15 C16 C17 -176.15(15) . . . . ?
C7 C15 C20 C19 176.40(18) . . . . ?
C8 C7 C15 C16 134.02(16) . . . . ?
C8 C7 C15 C20 -45.2(2) . . . . ?
C8 C9 C10 C11 -177.95(16) . . . . ?
C8 C9 C14 N1 -1.7(2) . . . . ?
C8 C9 C14 C13 178.02(15) . . . . ?
C9 C10 C11 C12 0.5(3) . . . . ?
C10 C9 C14 N1 -178.06(14) . . . . ?
C10 C9 C14 C13 1.6(2) . . . . ?
C10 C11 C12 C13 0.3(3) . . . . ?
C11 C12 C13 C14 -0.1(3) . . . . ?
C12 C13 C14 N1 178.78(15) . . . . ?
C12 C13 C14 C9 -0.9(2) . . . . ?
C14 N1 C1 C2 -104.10(16) . . . . ?
C14 N1 C1 C6 72.62(17) . . . . ?
C14 C9 C10 C11 -1.4(2) . . . . ?
C15 C7 C8 C9 178.68(15) . . . . ?
C15 C16 C17 C18 -0.8(3) . . . . ?
C16 C15 C20 C19 -2.8(3) . . . . ?
C16 C17 C18 C19 -1.7(3) . . . . ?
C17 C18 C19 C20 2.0(3) . . . . ?
C18 C19 C20 C15 0.3(3) . . . . ?
C20 C15 C16 C17 3.0(3) . . . . ?
C21 C22 C23 C24 -3.5(2) . . . . ?
C21 C30 C31 C32 129.61(15) . . . . ?
C21 C30 C31 C40 -51.1(2) . . . . ?
C22 C21 C30 C29 4.8(2) . . . . ?
C22 C21 C30 C31 179.83(14) . . . . ?
C22 C23 C24 C25 -172.91(14) . . . . ?
C22 C23 C24 C29 3.3(2) . . . . ?
C23 C24 C25 C26 176.24(15) . . . . ?
C23 C24 C29 C28 -175.55(14) . . . . ?
C23 C24 C29 C30 1.0(2) . . . . ?
C24 C25 C26 C27 -0.3(2) . . . . ?
C24 C29 C30 C21 -4.9(2) . . . . ?
C24 C29 C30 C31 -179.78(13) . . . . ?
C25 C24 C29 C28 0.7(2) . . . . ?
C25 C24 C29 C30 177.26(14) . . . . ?
C25 C26 C27 C28 -0.3(3) . . . . ?
C26 C27 C28 C29 1.0(2) . . . . ?
C27 C28 C29 C24 -1.3(2) . . . . ?
C27 C28 C29 C30 -177.69(15) . . . . ?
C28 C29 C30 C21 171.53(14) . . . . ?
C28 C29 C30 C31 -3.4(2) . . . . ?
C29 C24 C25 C26 0.0(2) . . . . ?
C29 C30 C31 C32 -55.6(2) . . . . ?
C29 C30 C31 C40 123.66(16) . . . . ?
C30 C21 C22 C23 -0.6(2) . . . . ?
C30 C31 C32 C33 -7.7(2) . . . . ?
C30 C31 C32 C37 173.84(13) . . . . ?
C30 C31 C40 O2 3.3(2) . . . . ?
C30 C31 C40 C39 -171.83(14) . . . . ?
C31 C32 C33 C34 179.88(15) . . . . ?
C31 C32 C37 C36 -179.32(14) . . . . ?
C31 C32 C37 C38 0.5(2) . . . . ?
C32 C31 C40 O2 -177.36(12) . . . . ?
C32 C31 C40 C39 7.5(2) . . . . ?
C32 C33 C34 C35 -0.4(2) . . . . ?
C32 C37 C38 C39 2.8(2) . . . . ?
C33 C32 C37 C36 2.1(2) . . . . ?
C33 C32 C37 C38 -178.04(15) . . . . ?
C33 C34 C35 C36 2.0(3) . . . . ?
C34 C35 C36 C37 -1.4(3) . . . . ?
C35 C36 C37 C32 -0.6(2) . . . . ?
C35 C36 C37 C38 179.52(16) . . . . ?
C36 C37 C38 C39 -177.38(15) . . . . ?
C37 C32 C33 C34 -1.6(2) . . . . ?
C37 C38 C39 C40 -1.1(2) . . . . ?
C38 C39 C40 O2 -179.68(14) . . . . ?
C38 C39 C40 C31 -4.3(2) . . . . ?
C40 C31 C32 C33 173.06(14) . . . . ?
C40 C31 C32 C37 -5.4(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: n-heptane, 1,2-difluorobenzene'
_chemical_properties_physical    Moisture-sensitive
####################################################################### 
# 
# 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_rd1723
_database_code_depnum_ccdc_archive 'CCDC 2295528'
loop_
_audit_author_name
_audit_author_address
'Frank W. Heinemann'
;Friedrich Alexander Universitaet Erlangen Nuernberg
Germany
;
_audit_update_record             
;
2023-09-18 deposited with the CCDC.	2023-10-31 downloaded from the CCDC.
;
_audit_creation_date             2023-07-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H29 B N O2 P'
_chemical_formula_sum            'C40 H29 B N O2 P'
_chemical_formula_weight         597.42
_chemical_absolute_configuration ad
_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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_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           146
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   28.285(3)
_cell_length_b                   28.285(3)
_cell_length_c                   10.0973(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     6996.0(15)
_cell_formula_units_Z            9
_cell_measurement_reflns_used    9938
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      26.53
_cell_measurement_theta_min      2.18
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.966
_exptl_absorpt_coefficient_mu    0.126
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.4761
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1375 before and 0.0882 after correction.
The Ratio of minimum to maximum transmission is 0.6386.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2808
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1167
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            67265
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.182
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_source         'ImuS high brilliance micro-focus tube'
_diffrn_radiation_monochromator  'Quazar focussing montel optics'
_diffrn_measurement_device_type  'Bruker Kappa APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 83.33
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_standards_number         0
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                5839
_reflns_number_total             6374
_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_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELX XT 2014/5 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_diff_density_max         0.263
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.063
_refine_ls_abs_structure_details 
;
 Flack x determined using 2566 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.210
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6374
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0589
_refine_ls_restrained_S_all      1.210
_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)+(0.0129P)²+28.0760P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1294
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All B(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23),
  C25(H25), C26(H26), C27(H27), C28(H28), C33(H33), C34(H34), C35(H35),
 C36(H36), C38(H38), C39(H39)
;
_atom_sites_solution_hydrogens   mixed
_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
P1 P 0.21601(5) 0.36050(5) 0.47349(12) 0.0174(3) Uani 1 1 d . . . . .
O1 O 0.15688(13) 0.35294(14) 0.5018(3) 0.0181(7) Uani 1 1 d . . . . .
O2 O 0.20230(14) 0.30600(14) 0.3918(3) 0.0189(7) Uani 1 1 d . . . . .
N1 N 0.23426(16) 0.35911(17) 0.6260(4) 0.0193(9) Uani 1 1 d . . . . .
B1 B 0.2643(3) 0.4212(3) 0.3705(6) 0.0239(13) Uani 1 1 d . . . . .
H1A H 0.243(3) 0.411(2) 0.274(6) 0.036 Uiso 1 1 d . U . . .
H1B H 0.262(2) 0.452(2) 0.437(6) 0.036 Uiso 1 1 d . U . . .
H1C H 0.308(3) 0.419(2) 0.378(6) 0.036 Uiso 1 1 d . U . . .
C1 C 0.2915(2) 0.3801(2) 0.6568(5) 0.0194(10) Uani 1 1 d . . . . .
C2 C 0.3144(2) 0.3480(2) 0.6266(5) 0.0202(11) Uani 1 1 d . . . . .
H2 H 0.292975 0.313194 0.586950 0.024 Uiso 1 1 calc R U . . .
C3 C 0.3690(2) 0.3675(2) 0.6552(5) 0.0250(12) Uani 1 1 d . . . . .
H3 H 0.385276 0.346217 0.633081 0.030 Uiso 1 1 calc R U . . .
C4 C 0.3997(2) 0.4175(2) 0.7155(5) 0.0281(12) Uani 1 1 d . . . . .
H4 H 0.436860 0.430260 0.737306 0.034 Uiso 1 1 calc R U . . .
C5 C 0.3764(2) 0.4491(2) 0.7442(5) 0.0260(12) Uani 1 1 d . . . . .
H5 H 0.398079 0.483900 0.783924 0.031 Uiso 1 1 calc R U . . .
C6 C 0.3213(2) 0.4311(2) 0.7161(5) 0.0205(11) Uani 1 1 d . . . . .
C7 C 0.2969(2) 0.4640(2) 0.7582(5) 0.0261(12) Uani 1 1 d . . . . .
C8 C 0.2459(2) 0.4425(2) 0.8074(5) 0.0278(12) Uani 1 1 d . . . . .
H8 H 0.235618 0.468353 0.834324 0.033 Uiso 1 1 calc R U . . .
C9 C 0.2042(2) 0.3853(2) 0.8252(5) 0.0270(12) Uani 1 1 d . . . . .
C10 C 0.1676(3) 0.3709(3) 0.9294(6) 0.0370(15) Uani 1 1 d . . . . .
H10 H 0.170161 0.398455 0.987836 0.044 Uiso 1 1 calc R U . . .
C11 C 0.1276(3) 0.3176(3) 0.9496(7) 0.0450(18) Uani 1 1 d . . . . .
H11 H 0.102591 0.308730 1.020843 0.054 Uiso 1 1 calc R U . . .
C12 C 0.1236(3) 0.2769(3) 0.8673(6) 0.0398(16) Uani 1 1 d . . . . .
H12 H 0.096471 0.239926 0.882641 0.048 Uiso 1 1 calc R U . . .
C13 C 0.1592(2) 0.2902(2) 0.7624(6) 0.0286(12) Uani 1 1 d . . . . .
H13 H 0.156673 0.262379 0.705268 0.034 Uiso 1 1 calc R U . . .
C14 C 0.1989(2) 0.3445(2) 0.7400(5) 0.0237(11) Uani 1 1 d . . . . .
C15 C 0.3326(2) 0.5249(3) 0.7533(6) 0.0341(14) Uani 1 1 d . . . . .
C16 C 0.3597(2) 0.5498(2) 0.6379(7) 0.0366(15) Uani 1 1 d . . . . .
H16 H 0.357561 0.528200 0.563650 0.044 Uiso 1 1 calc R U . . .
C17 C 0.3905(3) 0.6071(3) 0.6295(8) 0.0482(19) Uani 1 1 d . . . . .
H17 H 0.408428 0.624098 0.549174 0.058 Uiso 1 1 calc R U . . .
C18 C 0.3947(3) 0.6383(3) 0.7379(10) 0.058(2) Uani 1 1 d . . . . .
H18 H 0.415143 0.676987 0.731651 0.069 Uiso 1 1 calc R U . . .
C19 C 0.3695(3) 0.6140(3) 0.8559(9) 0.053(2) Uani 1 1 d . . . . .
H19 H 0.373571 0.635848 0.931225 0.063 Uiso 1 1 calc R U . . .
C20 C 0.3378(3) 0.5569(3) 0.8640(8) 0.0432(17) Uani 1 1 d . . . . .
H20 H 0.319995 0.539986 0.944498 0.052 Uiso 1 1 calc R U . . .
C21 C 0.1181(2) 0.3347(2) 0.4002(5) 0.0191(10) Uani 1 1 d . . . . .
C22 C 0.1044(2) 0.3729(2) 0.3488(5) 0.0215(11) Uani 1 1 d . . . . .
H22 H 0.123185 0.409790 0.377945 0.026 Uiso 1 1 calc R U . . .
C23 C 0.0642(2) 0.3561(2) 0.2574(5) 0.0227(11) Uani 1 1 d . . . . .
H23 H 0.053464 0.380942 0.225933 0.027 Uiso 1 1 calc R U . . .
C24 C 0.0379(2) 0.3020(2) 0.2080(5) 0.0225(11) Uani 1 1 d . . . . .
C25 C -0.0028(2) 0.2846(3) 0.1096(6) 0.0288(13) Uani 1 1 d . . . . .
H25 H -0.015948 0.308195 0.083311 0.035 Uiso 1 1 calc R U . . .
C26 C -0.0234(2) 0.2351(3) 0.0521(6) 0.0326(14) Uani 1 1 d . . . . .
H26 H -0.051044 0.223953 -0.013407 0.039 Uiso 1 1 calc R U . . .
C27 C -0.0037(2) 0.2001(2) 0.0897(6) 0.0292(13) Uani 1 1 d . . . . .
H27 H -0.016624 0.166229 0.045105 0.035 Uiso 1 1 calc R U . . .
C28 C 0.0335(2) 0.2141(2) 0.1891(6) 0.0255(12) Uani 1 1 d . . . . .
H28 H 0.045413 0.189463 0.215201 0.031 Uiso 1 1 calc R U . . .
C29 C 0.0547(2) 0.2652(2) 0.2541(5) 0.0198(11) Uani 1 1 d . . . . .
C30 C 0.0933(2) 0.2815(2) 0.3602(5) 0.0166(10) Uani 1 1 d . . . . .
C31 C 0.1071(2) 0.24258(19) 0.4229(5) 0.0172(10) Uani 1 1 d . . . . .
C32 C 0.0661(2) 0.1920(2) 0.4776(5) 0.0232(12) Uani 1 1 d . . . . .
C33 C 0.0103(2) 0.1778(2) 0.4867(6) 0.0261(12) Uani 1 1 d . . . . .
H33 H -0.000714 0.201824 0.450655 0.031 Uiso 1 1 calc R U . . .
C34 C -0.0275(2) 0.1308(2) 0.5456(7) 0.0393(16) Uani 1 1 d . . . . .
H34 H -0.064563 0.122096 0.549116 0.047 Uiso 1 1 calc R U . . .
C35 C -0.0122(3) 0.0952(3) 0.6013(10) 0.064(3) Uani 1 1 d . . . . .
H35 H -0.038684 0.062681 0.643712 0.077 Uiso 1 1 calc R U . . .
C36 C 0.0407(3) 0.1071(3) 0.5946(9) 0.054(2) Uani 1 1 d . . . . .
H36 H 0.050561 0.082389 0.631725 0.065 Uiso 1 1 calc R U . . .
C37 C 0.0812(2) 0.1556(2) 0.5336(7) 0.0324(14) Uani 1 1 d . . . . .
C38 C 0.1366(2) 0.1695(2) 0.5316(6) 0.0305(13) Uani 1 1 d . . . . .
H38 H 0.146782 0.144430 0.564514 0.037 Uiso 1 1 calc R U . . .
C39 C 0.1756(2) 0.2186(2) 0.4829(6) 0.0256(12) Uani 1 1 d . . . . .
H39 H 0.212901 0.227947 0.482783 0.031 Uiso 1 1 calc R U . . .
C40 C 0.1604(2) 0.2549(2) 0.4335(5) 0.0177(10) Uani 1 1 d . . . . .


_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
P1 O1 1.602(3) . ?
P1 O2 1.615(4) . ?
P1 N1 1.630(4) . ?
P1 B1 1.884(6) . ?
O1 C21 1.399(6) . ?
O2 C40 1.400(6) . ?
N1 C1 1.453(6) . ?
N1 C14 1.443(6) . ?
B1 H1A 1.10(6) . ?
B1 H1B 1.12(6) . ?
B1 H1C 1.25(6) . ?
C1 C2 1.387(7) . ?
C1 C6 1.389(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.385(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.378(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.382(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.404(7) . ?
C6 C7 1.473(7) . ?
C7 C8 1.349(8) . ?
C7 C15 1.502(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.461(8) . ?
C9 C10 1.387(8) . ?
C9 C14 1.388(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.376(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.378(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.378(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.394(8) . ?
C15 C16 1.380(9) . ?
C15 C20 1.397(8) . ?
C16 H16 0.9500 . ?
C16 C17 1.406(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.374(10) . ?
C18 H18 0.9500 . ?
C18 C19 1.383(12) . ?
C19 H19 0.9500 . ?
C19 C20 1.404(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.415(7) . ?
C21 C30 1.365(7) . ?
C22 H22 0.9500 . ?
C22 C23 1.352(8) . ?
C23 H23 0.9500 . ?
C23 C24 1.416(8) . ?
C24 C25 1.409(8) . ?
C24 C29 1.420(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.349(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.410(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.363(8) . ?
C28 H28 0.9500 . ?
C28 C29 1.419(8) . ?
C29 C30 1.432(7) . ?
C30 C31 1.482(6) . ?
C31 C32 1.427(7) . ?
C31 C40 1.372(7) . ?
C32 C33 1.423(7) . ?
C32 C37 1.416(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.358(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.398(9) . ?
C35 H35 0.9500 . ?
C35 C36 1.359(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.415(9) . ?
C37 C38 1.412(8) . ?
C38 H38 0.9500 . ?
C38 C39 1.362(8) . ?
C39 H39 0.9500 . ?
C39 C40 1.389(7) . ?

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
O1 P1 O2 103.14(18) . . ?
O1 P1 N1 98.6(2) . . ?
O1 P1 B1 117.0(2) . . ?
O2 P1 N1 112.8(2) . . ?
O2 P1 B1 107.8(2) . . ?
N1 P1 B1 116.7(3) . . ?
C21 O1 P1 119.5(3) . . ?
C40 O2 P1 120.5(3) . . ?
C1 N1 P1 119.6(3) . . ?
C14 N1 P1 125.3(3) . . ?
C14 N1 C1 114.6(4) . . ?
P1 B1 H1A 101(3) . . ?
P1 B1 H1B 94(3) . . ?
P1 B1 H1C 102(3) . . ?
H1A B1 H1B 121(5) . . ?
H1A B1 H1C 117(4) . . ?
H1B B1 H1C 115(4) . . ?
C2 C1 N1 118.4(5) . . ?
C2 C1 C6 122.3(5) . . ?
C6 C1 N1 119.4(4) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.1(5) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(5) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.7(5) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.7(5) . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C5 116.8(5) . . ?
C1 C6 C7 123.2(5) . . ?
C5 C6 C7 119.8(5) . . ?
C6 C7 C15 117.2(5) . . ?
C8 C7 C6 123.8(5) . . ?
C8 C7 C15 118.8(5) . . ?
C7 C8 H8 115.4 . . ?
C7 C8 C9 129.2(5) . . ?
C9 C8 H8 115.4 . . ?
C10 C9 C8 119.3(6) . . ?
C10 C9 C14 118.2(6) . . ?
C14 C9 C8 122.5(5) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 C9 121.2(6) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(6) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(6) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.2(6) . . ?
C14 C13 H13 119.9 . . ?
C9 C14 N1 119.0(5) . . ?
C9 C14 C13 120.5(5) . . ?
C13 C14 N1 120.5(5) . . ?
C16 C15 C7 119.8(5) . . ?
C16 C15 C20 119.6(6) . . ?
C20 C15 C7 120.6(6) . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.3(6) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.8(8) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.6(7) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.7(7) . . ?
C20 C19 H19 120.1 . . ?
C15 C20 C19 119.8(8) . . ?
C15 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
O1 C21 C22 116.9(5) . . ?
C30 C21 O1 119.9(4) . . ?
C30 C21 C22 123.1(5) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 C21 118.9(5) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 H23 119.4 . . ?
C22 C23 C24 121.1(5) . . ?
C24 C23 H23 119.4 . . ?
C23 C24 C29 119.2(5) . . ?
C25 C24 C23 121.5(5) . . ?
C25 C24 C29 119.3(5) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.3(5) . . ?
C26 C25 H25 119.4 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.8(5) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.8(6) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 120.5(5) . . ?
C29 C28 H28 119.7 . . ?
C24 C29 C30 119.4(5) . . ?
C28 C29 C24 118.0(5) . . ?
C28 C29 C30 122.6(5) . . ?
C21 C30 C29 117.7(4) . . ?
C21 C30 C31 120.8(4) . . ?
C29 C30 C31 121.5(4) . . ?
C32 C31 C30 121.8(4) . . ?
C40 C31 C30 120.6(4) . . ?
C40 C31 C32 117.6(4) . . ?
C33 C32 C31 122.5(5) . . ?
C37 C32 C31 119.7(5) . . ?
C37 C32 C33 117.7(5) . . ?
C32 C33 H33 119.2 . . ?
C34 C33 C32 121.6(5) . . ?
C34 C33 H33 119.2 . . ?
C33 C34 H34 119.8 . . ?
C33 C34 C35 120.3(6) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0(6) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.4 . . ?
C35 C36 C37 121.3(6) . . ?
C37 C36 H36 119.4 . . ?
C36 C37 C32 119.1(5) . . ?
C38 C37 C32 119.1(5) . . ?
C38 C37 C36 121.7(5) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 C37 120.8(5) . . ?
C39 C38 H38 119.6 . . ?
C38 C39 H39 120.3 . . ?
C38 C39 C40 119.3(5) . . ?
C40 C39 H39 120.3 . . ?
C31 C40 O2 119.6(4) . . ?
C31 C40 C39 123.3(5) . . ?
C39 C40 O2 117.1(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
P1 O1 C21 C22 -110.8(4) . . . . ?
P1 O1 C21 C30 72.7(5) . . . . ?
P1 O2 C40 C31 69.7(5) . . . . ?
P1 O2 C40 C39 -111.0(5) . . . . ?
P1 N1 C1 C2 -77.2(5) . . . . ?
P1 N1 C1 C6 103.3(5) . . . . ?
P1 N1 C14 C9 -105.3(5) . . . . ?
P1 N1 C14 C13 73.1(6) . . . . ?
O1 P1 O2 C40 -44.8(4) . . . . ?
O1 P1 N1 C1 -162.1(4) . . . . ?
O1 P1 N1 C14 10.0(5) . . . . ?
O1 C21 C22 C23 -175.1(4) . . . . ?
O1 C21 C30 C29 -178.9(4) . . . . ?
O1 C21 C30 C31 -0.2(7) . . . . ?
O2 P1 O1 C21 -44.2(4) . . . . ?
O2 P1 N1 C1 89.7(4) . . . . ?
O2 P1 N1 C14 -98.3(4) . . . . ?
N1 P1 O1 C21 -160.1(4) . . . . ?
N1 P1 O2 C40 60.6(4) . . . . ?
N1 C1 C2 C3 179.9(4) . . . . ?
N1 C1 C6 C5 179.7(4) . . . . ?
N1 C1 C6 C7 4.3(7) . . . . ?
B1 P1 O1 C21 73.9(4) . . . . ?
B1 P1 O2 C40 -169.2(4) . . . . ?
B1 P1 N1 C1 -36.0(5) . . . . ?
B1 P1 N1 C14 136.1(4) . . . . ?
C1 N1 C14 C9 67.2(6) . . . . ?
C1 N1 C14 C13 -114.5(5) . . . . ?
C1 C2 C3 C4 1.5(8) . . . . ?
C1 C6 C7 C8 35.0(8) . . . . ?
C1 C6 C7 C15 -148.9(5) . . . . ?
C2 C1 C6 C5 0.2(7) . . . . ?
C2 C1 C6 C7 -175.2(5) . . . . ?
C2 C3 C4 C5 -1.8(8) . . . . ?
C3 C4 C5 C6 1.4(8) . . . . ?
C4 C5 C6 C1 -0.6(8) . . . . ?
C4 C5 C6 C7 174.9(5) . . . . ?
C5 C6 C7 C8 -140.3(6) . . . . ?
C5 C6 C7 C15 35.8(7) . . . . ?
C6 C1 C2 C3 -0.7(7) . . . . ?
C6 C7 C8 C9 -2.5(9) . . . . ?
C6 C7 C15 C16 52.8(7) . . . . ?
C6 C7 C15 C20 -128.4(6) . . . . ?
C7 C8 C9 C10 148.4(6) . . . . ?
C7 C8 C9 C14 -32.8(9) . . . . ?
C7 C15 C16 C17 176.1(5) . . . . ?
C7 C15 C20 C19 -177.3(5) . . . . ?
C8 C7 C15 C16 -130.9(6) . . . . ?
C8 C7 C15 C20 47.9(8) . . . . ?
C8 C9 C10 C11 179.9(6) . . . . ?
C8 C9 C14 N1 -2.9(8) . . . . ?
C8 C9 C14 C13 178.7(5) . . . . ?
C9 C10 C11 C12 1.0(10) . . . . ?
C10 C9 C14 N1 175.9(5) . . . . ?
C10 C9 C14 C13 -2.5(8) . . . . ?
C10 C11 C12 C13 -1.5(10) . . . . ?
C11 C12 C13 C14 0.0(9) . . . . ?
C12 C13 C14 N1 -176.3(5) . . . . ?
C12 C13 C14 C9 2.0(8) . . . . ?
C14 N1 C1 C2 109.9(5) . . . . ?
C14 N1 C1 C6 -69.6(6) . . . . ?
C14 C9 C10 C11 1.0(9) . . . . ?
C15 C7 C8 C9 -178.6(5) . . . . ?
C15 C16 C17 C18 1.6(10) . . . . ?
C16 C15 C20 C19 1.6(9) . . . . ?
C16 C17 C18 C19 0.9(10) . . . . ?
C17 C18 C19 C20 -2.1(10) . . . . ?
C18 C19 C20 C15 0.8(10) . . . . ?
C20 C15 C16 C17 -2.8(9) . . . . ?
C21 C22 C23 C24 -3.4(7) . . . . ?
C21 C30 C31 C32 126.3(6) . . . . ?
C21 C30 C31 C40 -51.9(7) . . . . ?
C22 C21 C30 C29 4.8(7) . . . . ?
C22 C21 C30 C31 -176.5(5) . . . . ?
C22 C23 C24 C25 -177.9(5) . . . . ?
C22 C23 C24 C29 -0.9(7) . . . . ?
C23 C24 C25 C26 172.4(5) . . . . ?
C23 C24 C29 C28 -170.8(5) . . . . ?
C23 C24 C29 C30 7.1(7) . . . . ?
C24 C25 C26 C27 -0.6(8) . . . . ?
C24 C29 C30 C21 -8.9(7) . . . . ?
C24 C29 C30 C31 172.4(4) . . . . ?
C25 C24 C29 C28 6.3(7) . . . . ?
C25 C24 C29 C30 -175.8(5) . . . . ?
C25 C26 C27 C28 4.0(9) . . . . ?
C26 C27 C28 C29 -2.1(8) . . . . ?
C27 C28 C29 C24 -3.0(7) . . . . ?
C27 C28 C29 C30 179.2(5) . . . . ?
C28 C29 C30 C21 168.9(5) . . . . ?
C28 C29 C30 C31 -9.8(7) . . . . ?
C29 C24 C25 C26 -4.6(8) . . . . ?
C29 C30 C31 C32 -55.1(7) . . . . ?
C29 C30 C31 C40 126.8(5) . . . . ?
C30 C21 C22 C23 1.3(8) . . . . ?
C30 C31 C32 C33 -5.9(8) . . . . ?
C30 C31 C32 C37 178.4(5) . . . . ?
C30 C31 C40 O2 3.8(7) . . . . ?
C30 C31 C40 C39 -175.5(5) . . . . ?
C31 C32 C33 C34 -176.3(6) . . . . ?
C31 C32 C37 C36 176.2(6) . . . . ?
C31 C32 C37 C38 -1.3(9) . . . . ?
C32 C31 C40 O2 -174.4(4) . . . . ?
C32 C31 C40 C39 6.3(8) . . . . ?
C32 C33 C34 C35 1.0(11) . . . . ?
C32 C37 C38 C39 3.4(9) . . . . ?
C33 C32 C37 C36 0.3(9) . . . . ?
C33 C32 C37 C38 -177.2(6) . . . . ?
C33 C34 C35 C36 -1.1(13) . . . . ?
C34 C35 C36 C37 0.8(14) . . . . ?
C35 C36 C37 C32 -0.5(12) . . . . ?
C35 C36 C37 C38 177.0(8) . . . . ?
C36 C37 C38 C39 -174.1(7) . . . . ?
C37 C32 C33 C34 -0.6(9) . . . . ?
C37 C38 C39 C40 -0.7(9) . . . . ?
C38 C39 C40 O2 176.4(5) . . . . ?
C38 C39 C40 C31 -4.3(9) . . . . ?
C40 C31 C32 C33 172.3(5) . . . . ?
C40 C31 C32 C37 -3.3(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene, n-pentane, 1,2-difluorobenzene'
####################################################################### 
# 
# 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_rodo191031a
_database_code_depnum_ccdc_archive 'CCDC 2295530'
loop_
_audit_author_name
_audit_author_address
'Frank W. Heinemann'
;Friedrich Alexander Universitaet Erlangen Nuernberg
Germany
;
_audit_update_record             
;
2023-09-18 deposited with the CCDC.	2023-10-31 downloaded from the CCDC.
;
_audit_creation_date             2019-11-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C160 H104 Cl2 N4 O8 P4 Rh2, 4(C6 H6), C6 H14'
_chemical_formula_sum            'C190 H142 Cl2 N4 O8 P4 Rh2'
_chemical_formula_weight         3009.67
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         C190H142Cl2N4O8P4Rh2
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'
N N 0.0311 0.0180 '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'
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      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                   12.44859(10)
_cell_length_b                   37.3327(2)
_cell_length_c                   16.40694(15)
_cell_angle_alpha                90
_cell_angle_beta                 102.2954(8)
_cell_angle_gamma                90
_cell_volume                     7450.06(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    47587
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      72.4510
_cell_measurement_theta_min      4.0420
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.031
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.454
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3116
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 -1 1 0.1149
0 -24 1 0.0834
0 24 -1 0.0585
0 4 10 0.0424
0 -17 7 0.0766
0 17 -7 0.0358
8 3 0 0.1363
-1 24 -2 0.0582
0 -16 -8 0.0458
5 -5 -9 0.0852
0 -4 -10 0.0018
-2 0 11 0.0640
2 1 -11 0.0408
0 0 10 0.0419
6 -7 5 0.1303
-2 22 -3 0.0614
-8 -3 2 0.1084

_exptl_crystal_size_max          0.262
_exptl_crystal_size_mid          0.143
_exptl_crystal_size_min          0.047
loop_
_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
-1.9994 -0.9987 0.9989 0.1025 -0.0262 -0.2312
-0.0190 -24.1378 0.9605 -0.7747 0.2744 -0.5697
0.3654 24.1029 -1.1086 0.7507 -0.2660 0.6047
0.2187 3.7876 10.2091 0.4296 0.9023 -0.0344
0.1741 -16.7660 7.4649 -0.3383 0.8138 -0.4725
-0.1109 16.8185 -7.4631 0.3368 -0.8101 0.4798
7.8452 3.3645 -0.1666 -0.3048 0.4448 0.8422
-0.5777 23.8176 -1.6213 0.7749 -0.3684 0.5136
0.1956 -16.4895 -7.6712 -0.7969 -0.5488 -0.2525
4.9412 -5.0902 -9.3222 -0.7167 -0.4926 0.4936
-0.3857 -4.1327 -10.1294 -0.4299 -0.9028 0.0091
-1.7265 -0.3601 10.6473 0.4069 0.8537 -0.3249
2.1780 1.3672 -10.6138 -0.3960 -0.8306 0.3914
-0.0380 0.1939 10.4134 0.3295 0.9330 -0.1448
5.7262 -6.5795 5.1639 -0.3610 0.8710 0.3333
-1.6234 22.2081 -3.1500 0.7290 -0.5581 0.3963
-8.0266 -2.7311 1.9498 0.3905 -0.3005 -0.8702

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_unetI/netI     0.0527
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            83261
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.400
_diffrn_reflns_theta_min         3.634
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2903
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -121.00   0.00   1.00    2.50    --  -40.61 -19.00 120.00  121
  2  ω   -121.00   0.00   1.00    2.50    --  -40.61 -19.00-120.00  121
  3  ω    -65.00  34.00   1.00    2.50    --  -40.61  38.00-150.00   99
  4  ω     75.00 177.00   1.00   10.00    --  104.57  61.00-150.00  102
  5  ω    103.00 178.00   1.00   10.00    --  104.57  77.00 120.00   75
  6  ω     79.00 178.00   1.00   10.00    --  104.57  45.00   0.00   99
  7  ω     32.00 130.00   1.00   10.00    --  104.57 -45.00  60.00   98
  8  ω     28.00 109.00   1.00   10.00    --  104.57-111.00-180.00   81
  9  ω     28.00 109.00   1.00   10.00    --  104.57-111.00  90.00   81
 10  ω     79.00 178.00   1.00   10.00    --  104.57  45.00  30.00   99
 11  ω    103.00 178.00   1.00   10.00    --  104.57  77.00 150.00   75
 12  ω    104.00 178.00   1.00   10.00    --  104.57 111.00 -30.00   74
 13  ω     52.00 178.00   1.00   10.00    --  104.57  15.00 -30.00  126
 14  ω   -113.00 -12.00   1.00    2.50    --  -40.61 -57.00  60.00  101
 15  ω     12.00 114.00   1.00    2.50    --   40.61  57.00   0.00  102
 16  ω     12.00 114.00   1.00    2.50    --   40.61  57.00-120.00  102
 17  ω     27.00  97.00   1.00    2.50    --   40.61-125.00   0.00   70
 18  ω     75.00 177.00   1.00   10.00    --  104.57  61.00  90.00  102
 19  ω     75.00 171.00   1.00   10.00    --  104.57  61.00 150.00   96
 20  ω    104.00 178.00   1.00   10.00    --  104.57 111.00  60.00   74
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0525091000
_diffrn_orient_matrix_UB_12      0.0333618000
_diffrn_orient_matrix_UB_13      0.0308323000
_diffrn_orient_matrix_UB_21      0.0619651000
_diffrn_orient_matrix_UB_22      -0.0078386000
_diffrn_orient_matrix_UB_23      0.0899666000
_diffrn_orient_matrix_UB_31      0.0972015000
_diffrn_orient_matrix_UB_32      0.0229699000
_diffrn_orient_matrix_UB_33      -0.0139743000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.948
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.969
_reflns_number_gt                27880
_reflns_number_total             28917
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT n/a (Sheldrick, 2015)'
_refine_diff_density_max         0.884
_refine_diff_density_min         -1.005
_refine_diff_density_rms         0.088
_refine_ls_abs_structure_details 
;
 Flack x determined using 12520 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.021(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1943
_refine_ls_number_reflns         28917
_refine_ls_number_restraints     541
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0500
_refine_ls_restrained_S_all      1.013
_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)+(0.0876P)²+4.9673P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1298
_refine_ls_wR_factor_ref         0.1315
_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. Uiso/Uaniso restraints and constraints
C185 \\sim C186 \\sim C187 \\sim C188 \\sim C189 \\sim C190 \\sim C191 \\sim
C192 \\sim C193 \\sim C194 \\sim C195 \\sim C196: within 4A with sigma of 0.02
and sigma for terminal atoms of 0.04 within 4A
Uanis(C174) \\sim Ueq, Uanis(C175) \\sim Ueq, Uanis(C176) \\sim Ueq,
Uanis(C177) \\sim Ueq, Uanis(C178) \\sim Ueq, Uanis(C173) \\sim Ueq,
Uanis(C179) \\sim Ueq, Uanis(C184) \\sim Ueq, Uanis(C183) \\sim Ueq,
Uanis(C182) \\sim Ueq, Uanis(C181) \\sim Ueq, Uanis(C180) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
3. Rigid body (RIGU) restrains
 C173, C174, C175, C176, C177, C178, C179, C180, C181, C182, C183, C184
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C190)=Sof(H190)=Sof(C189)=Sof(H189)=Sof(C188)=Sof(H188)=Sof(C187)=
 Sof(H187)=Sof(C186)=Sof(H186)=Sof(C185)=Sof(H185)=1-FVAR(1)
 Sof(C191)=Sof(H191)=Sof(C192)=Sof(H192)=Sof(C193)=Sof(H193)=Sof(C194)=
 Sof(H194)=Sof(C195)=Sof(H195)=Sof(C196)=Sof(H196)=FVAR(1)
 Sof(C181)=Sof(H181)=Sof(C182)=Sof(H182)=Sof(C183)=Sof(H183)=Sof(C184)=
 Sof(H184)=Sof(C179)=Sof(H179)=Sof(C180)=Sof(H180)=1-FVAR(2)
 Sof(C176)=Sof(H176)=Sof(C177)=Sof(H177)=Sof(C178)=Sof(H178)=Sof(C173)=
 Sof(H173)=Sof(C174)=Sof(H174)=Sof(C175)=Sof(H175)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C198(H19d,H19e), C199(H19f,H19g), C200(H20a,H20b), C201(H20c,H20d)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C7(H7), C8(H8), C13(H13), C14(H14), C15(H15),
 C16(H16), C18(H18), C19(H19), C22(H22), C23(H23), C24(H24), C25(H25), C28(H28),
  C30(H30), C31(H31), C32(H32), C33(H33), C36(H36), C37(H37), C38(H38),
 C39(H39), C40(H40), C42(H42), C43(H43), C45(H45), C46(H46), C47(H47), C48(H48),
  C53(H53), C54(H54), C55(H55), C56(H56), C58(H58), C59(H59), C62(H62),
 C63(H63), C64(H64), C65(H65), C68(H68), C70(H70), C71(H71), C72(H72), C73(H73),
  C76(H76), C77(H77), C78(H78), C79(H79), C80(H80), C82(H82), C83(H83),
 C85(H85), C86(H86), C87(H87), C88(H88), C93(H93), C94(H94), C95(H95), C96(H96),
  C98(H98), C99(H99), C102(H102), C103(H103), C104(H104), C105(H105),
 C108(H108), C110(H110), C111(H111), C112(H112), C113(H113), C116(H116),
 C117(H117), C118(H118), C119(H119), C120(H120), C122(H122), C123(H123),
 C125(H125), C126(H126), C127(H127), C128(H128), C133(H133), C134(H134),
 C135(H135), C136(H136), C138(H138), C139(H139), C142(H142), C143(H143),
 C144(H144), C145(H145), C148(H148), C150(H150), C151(H151), C152(H152),
 C153(H153), C156(H156), C157(H157), C158(H158), C159(H159), C160(H160),
 C161(H161), C162(H162), C163(H163), C164(H164), C165(H165), C166(H166),
 C167(H167), C168(H168), C169(H169), C170(H170), C171(H171), C172(H172),
 C176(H176), C177(H177), C178(H178), C173(H173), C174(H174), C175(H175),
 C191(H191), C192(H192), C193(H193), C194(H194), C195(H195), C196(H196),
 C181(H181), C182(H182), C183(H183), C184(H184), C179(H179), C180(H180),
 C190(H190), C189(H189), C188(H188), C187(H187), C186(H186), C185(H185)
5.c Fitted hexagon refined as free rotating group:
 C167(C168,C169,C170,C171,C172), C176(C177,C178,C173,C174,C175), C191(C192,
 C193,C194,C195,C196), C181(C182,C183,C184,C179,C180), C190(C189,C188,C187,C186,
 C185)
5.d Idealised Me refined as rotating group:
 C197(H19a,H19b,H19c), C202(H20e,H20f,H20g)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.65614(3) 0.44677(2) 0.44551(2) 0.01646(9) Uani 1 1 d . . . . .
Rh2 Rh 0.64544(3) 0.52566(2) 0.30757(3) 0.01677(10) Uani 1 1 d . . . . .
Cl1 Cl 0.69569(12) 0.51026(3) 0.45503(9) 0.0224(3) Uani 1 1 d . . . . .
Cl2 Cl 0.61312(12) 0.46136(3) 0.29839(8) 0.0196(3) Uani 1 1 d . . . . .
P1 P 0.69183(11) 0.44275(4) 0.58005(8) 0.0176(3) Uani 1 1 d . . . . .
P2 P 0.63365(12) 0.38950(3) 0.43098(9) 0.0163(3) Uani 1 1 d . . . . .
P3 P 0.65602(12) 0.58287(4) 0.32677(10) 0.0188(3) Uani 1 1 d . . . . .
P4 P 0.61585(11) 0.53394(3) 0.17481(9) 0.0173(3) Uani 1 1 d . . . . .
O1 O 0.6561(3) 0.47598(11) 0.6321(3) 0.0204(8) Uani 1 1 d . . . . .
O2 O 0.6292(3) 0.40999(10) 0.6146(2) 0.0195(8) Uani 1 1 d . . . . .
O3 O 0.6506(3) 0.37236(10) 0.3421(2) 0.0193(8) Uani 1 1 d . . . . .
O4 O 0.7230(3) 0.36575(10) 0.4949(2) 0.0198(8) Uani 1 1 d . . . . .
O5 O 0.7215(4) 0.59703(10) 0.4181(3) 0.0256(9) Uani 1 1 d . . . . .
O6 O 0.7170(3) 0.60637(10) 0.2668(3) 0.0220(8) Uani 1 1 d . . . . .
O7 O 0.5509(3) 0.50269(10) 0.1141(2) 0.0201(8) Uani 1 1 d . . . . .
O8 O 0.5415(3) 0.56827(10) 0.1402(2) 0.0200(8) Uani 1 1 d . . . . .
N1 N 0.8232(4) 0.44285(13) 0.6314(3) 0.0204(9) Uani 1 1 d . . . . .
N2 N 0.5108(4) 0.37296(12) 0.4351(3) 0.0189(9) Uani 1 1 d . . . . .
N3 N 0.5324(4) 0.60204(12) 0.3206(3) 0.0246(10) Uani 1 1 d . . . . .
N4 N 0.7311(4) 0.53645(12) 0.1381(3) 0.0212(10) Uani 1 1 d . . . . .
C1 C 0.5440(5) 0.48103(16) 0.6272(4) 0.0218(11) Uani 1 1 d . . . . .
C2 C 0.4947(5) 0.50911(17) 0.5762(4) 0.0273(13) Uani 1 1 d . . . . .
H2 H 0.537262 0.523908 0.548073 0.033 Uiso 1 1 calc R U . . .
C3 C 0.3832(6) 0.51499(19) 0.5673(4) 0.0323(14) Uani 1 1 d . . . . .
H3 H 0.348801 0.534264 0.533779 0.039 Uiso 1 1 calc R U . . .
C4 C 0.3204(6) 0.49237(19) 0.6079(4) 0.0324(14) Uani 1 1 d . . . . .
C5 C 0.2049(6) 0.4968(2) 0.5938(5) 0.0390(17) Uani 1 1 d . . . . .
H5 H 0.169874 0.514579 0.556045 0.047 Uiso 1 1 calc R U . . .
C6 C 0.1436(6) 0.4755(2) 0.6343(6) 0.043(2) Uani 1 1 d . . . . .
H6 H 0.066376 0.478978 0.625453 0.052 Uiso 1 1 calc R U . . .
C7 C 0.1942(6) 0.4488(2) 0.6885(5) 0.0413(18) Uani 1 1 d . . . . .
H7 H 0.150597 0.434237 0.716186 0.050 Uiso 1 1 calc R U . . .
C8 C 0.3056(5) 0.44313(19) 0.7026(4) 0.0324(14) Uani 1 1 d . . . . .
H8 H 0.337936 0.424429 0.738926 0.039 Uiso 1 1 calc R U . . .
C9 C 0.3726(5) 0.46514(17) 0.6632(4) 0.0270(13) Uani 1 1 d . . . . .
C10 C 0.4896(5) 0.45977(16) 0.6736(4) 0.0229(12) Uani 1 1 d . . . . .
C11 C 0.5528(5) 0.43163(16) 0.7280(4) 0.0241(12) Uani 1 1 d . . . . .
C12 C 0.5480(5) 0.42822(17) 0.8149(4) 0.0264(12) Uani 1 1 d . . . . .
C13 C 0.4935(6) 0.45398(18) 0.8556(5) 0.0348(15) Uani 1 1 d . . . . .
H13 H 0.459148 0.474163 0.825673 0.042 Uiso 1 1 calc R U . . .
C14 C 0.4905(7) 0.4496(2) 0.9392(5) 0.0417(17) Uani 1 1 d . . . . .
H14 H 0.453125 0.466762 0.965799 0.050 Uiso 1 1 calc R U . . .
C15 C 0.5414(8) 0.4207(2) 0.9841(5) 0.0458(19) Uani 1 1 d . . . . .
H15 H 0.537678 0.417931 1.041010 0.055 Uiso 1 1 calc R U . . .
C16 C 0.5962(7) 0.3962(2) 0.9479(5) 0.0420(17) Uani 1 1 d . . . . .
H16 H 0.631643 0.376714 0.979980 0.050 Uiso 1 1 calc R U . . .
C17 C 0.6017(6) 0.39932(18) 0.8620(4) 0.0311(14) Uani 1 1 d . . . . .
C18 C 0.6642(6) 0.37472(18) 0.8248(4) 0.0310(13) Uani 1 1 d . . . . .
H18 H 0.698985 0.354924 0.856096 0.037 Uiso 1 1 calc R U . . .
C19 C 0.6744(5) 0.37940(16) 0.7450(4) 0.0265(12) Uani 1 1 d . . . . .
H19 H 0.718683 0.363615 0.720749 0.032 Uiso 1 1 calc R U . . .
C20 C 0.6186(5) 0.40785(16) 0.6984(4) 0.0240(12) Uani 1 1 d . . . . .
C21 C 0.8753(5) 0.46929(16) 0.6913(4) 0.0226(11) Uani 1 1 d . . . . .
C22 C 0.8743(5) 0.50511(17) 0.6677(4) 0.0245(11) Uani 1 1 d . . . . .
H22 H 0.835705 0.512176 0.613802 0.029 Uiso 1 1 calc R U . . .
C23 C 0.9294(5) 0.53052(18) 0.7228(4) 0.0302(13) Uani 1 1 d . . . . .
H23 H 0.927105 0.555052 0.707130 0.036 Uiso 1 1 calc R U . . .
C24 C 0.9881(5) 0.51994(18) 0.8011(4) 0.0321(14) Uani 1 1 d . . . . .
H24 H 1.027721 0.537118 0.838538 0.038 Uiso 1 1 calc R U . . .
C25 C 0.9882(6) 0.48433(19) 0.8241(4) 0.0319(14) Uani 1 1 d . . . . .
H25 H 1.027257 0.477504 0.878083 0.038 Uiso 1 1 calc R U . . .
C26 C 0.9325(5) 0.45783(17) 0.7701(4) 0.0251(12) Uani 1 1 d . . . . .
C27 C 0.9422(6) 0.41968(19) 0.7953(4) 0.0311(13) Uani 1 1 d . . . . .
C28 C 0.9503(5) 0.39240(18) 0.7435(5) 0.0320(14) Uani 1 1 d . . . . .
H28 H 0.951670 0.368971 0.766302 0.038 Uiso 1 1 calc R U . . .
C29 C 0.9571(5) 0.39486(17) 0.6562(4) 0.0283(13) Uani 1 1 d . . . . .
C30 C 1.0307(5) 0.37212(19) 0.6264(5) 0.0367(16) Uani 1 1 d . . . . .
H30 H 1.066708 0.353433 0.661082 0.044 Uiso 1 1 calc R U . . .
C31 C 1.0512(6) 0.3766(2) 0.5480(5) 0.0418(18) Uani 1 1 d . . . . .
H31 H 1.101196 0.361060 0.529154 0.050 Uiso 1 1 calc R U . . .
C32 C 1.0000(5) 0.4033(2) 0.4968(5) 0.0350(15) Uani 1 1 d . . . . .
H32 H 1.016389 0.406761 0.443368 0.042 Uiso 1 1 calc R U . . .
C33 C 0.9240(5) 0.42529(19) 0.5233(4) 0.0299(14) Uani 1 1 d . . . . .
H33 H 0.887069 0.443540 0.487679 0.036 Uiso 1 1 calc R U . . .
C34 C 0.9025(5) 0.42036(16) 0.6025(4) 0.0239(12) Uani 1 1 d . . . . .
C35 C 0.9524(6) 0.41167(19) 0.8850(5) 0.0372(15) Uani 1 1 d . . . . .
C36 C 0.8783(6) 0.4251(2) 0.9293(5) 0.0410(17) Uani 1 1 d . . . . .
H36 H 0.823286 0.441535 0.903417 0.049 Uiso 1 1 calc R U . . .
C37 C 0.8841(7) 0.4146(3) 1.0118(5) 0.050(2) Uani 1 1 d . . . . .
H37 H 0.832004 0.423519 1.041384 0.060 Uiso 1 1 calc R U . . .
C38 C 0.9644(9) 0.3914(3) 1.0505(5) 0.055(2) Uani 1 1 d . . . . .
H38 H 0.966509 0.384109 1.106314 0.066 Uiso 1 1 calc R U . . .
C39 C 1.0417(9) 0.3787(3) 1.0094(6) 0.057(2) Uani 1 1 d . . . . .
H39 H 1.098206 0.363075 1.036695 0.068 Uiso 1 1 calc R U . . .
C40 C 1.0360(8) 0.3890(2) 0.9275(5) 0.049(2) Uani 1 1 d . . . . .
H40 H 1.090222 0.380566 0.899293 0.059 Uiso 1 1 calc R U . . .
C41 C 0.7574(5) 0.36942(14) 0.3282(4) 0.0198(11) Uani 1 1 d . . . . .
C42 C 0.7901(5) 0.39456(15) 0.2747(4) 0.0229(12) Uani 1 1 d . . . . .
H42 H 0.740483 0.412640 0.249054 0.027 Uiso 1 1 calc R U . . .
C43 C 0.8938(6) 0.39283(16) 0.2597(4) 0.0272(13) Uani 1 1 d . . . . .
H43 H 0.915806 0.409570 0.222785 0.033 Uiso 1 1 calc R U . . .
C44 C 0.9686(5) 0.36633(16) 0.2986(4) 0.0261(12) Uani 1 1 d . . . . .
C45 C 1.0802(6) 0.36614(19) 0.2888(4) 0.0328(14) Uani 1 1 d . . . . .
H45 H 1.103410 0.383069 0.252905 0.039 Uiso 1 1 calc R U . . .
C46 C 1.1538(5) 0.3416(2) 0.3310(5) 0.0381(16) Uani 1 1 d . . . . .
H46 H 1.227946 0.341772 0.324689 0.046 Uiso 1 1 calc R U . . .
C47 C 1.1194(6) 0.3164(2) 0.3832(5) 0.0357(15) Uani 1 1 d . . . . .
H47 H 1.170776 0.299587 0.412227 0.043 Uiso 1 1 calc R U . . .
C48 C 1.0130(5) 0.31565(17) 0.3933(5) 0.0298(13) Uani 1 1 d . . . . .
H48 H 0.991734 0.298216 0.428979 0.036 Uiso 1 1 calc R U . . .
C49 C 0.9339(5) 0.34049(16) 0.3512(4) 0.0251(12) Uani 1 1 d . . . . .
C50 C 0.8237(5) 0.34184(14) 0.3646(4) 0.0205(11) Uani 1 1 d . . . . .
C51 C 0.7832(5) 0.31639(15) 0.4208(4) 0.0224(11) Uani 1 1 d . . . . .
C52 C 0.7891(5) 0.27786(16) 0.4124(5) 0.0292(13) Uani 1 1 d . . . . .
C53 C 0.8215(6) 0.26158(18) 0.3438(5) 0.0374(16) Uani 1 1 d . . . . .
H53 H 0.839800 0.276130 0.301257 0.045 Uiso 1 1 calc R U . . .
C54 C 0.8269(7) 0.2249(2) 0.3379(6) 0.049(2) Uani 1 1 d . . . . .
H54 H 0.847901 0.214448 0.290866 0.058 Uiso 1 1 calc R U . . .
C55 C 0.8023(7) 0.20317(19) 0.3995(7) 0.057(3) Uani 1 1 d . . . . .
H55 H 0.807840 0.177900 0.395032 0.068 Uiso 1 1 calc R U . . .
C56 C 0.7699(7) 0.21783(19) 0.4672(6) 0.047(2) Uani 1 1 d . . . . .
H56 H 0.753183 0.202668 0.509295 0.056 Uiso 1 1 calc R U . . .
C57 C 0.7613(6) 0.25526(17) 0.4743(5) 0.0359(16) Uani 1 1 d . . . . .
C58 C 0.7257(6) 0.27105(19) 0.5427(5) 0.0389(17) Uani 1 1 d . . . . .
H58 H 0.710808 0.256205 0.586018 0.047 Uiso 1 1 calc R U . . .
C59 C 0.7127(5) 0.30685(18) 0.5471(4) 0.0299(13) Uani 1 1 d . . . . .
H59 H 0.686078 0.316955 0.592174 0.036 Uiso 1 1 calc R U . . .
C60 C 0.7388(4) 0.32928(15) 0.4848(4) 0.0222(11) Uani 1 1 d . . . . .
C61 C 0.4776(4) 0.33565(14) 0.4354(4) 0.0178(10) Uani 1 1 d . . . . .
C62 C 0.4867(5) 0.31424(15) 0.3675(4) 0.0222(11) Uani 1 1 d . . . . .
H62 H 0.517396 0.323800 0.323854 0.027 Uiso 1 1 calc R U . . .
C63 C 0.4508(5) 0.27893(16) 0.3638(4) 0.0272(13) Uani 1 1 d . . . . .
H63 H 0.457814 0.264189 0.317979 0.033 Uiso 1 1 calc R U . . .
C64 C 0.4048(5) 0.26530(16) 0.4271(4) 0.0281(13) Uani 1 1 d . . . . .
H64 H 0.379288 0.241258 0.424310 0.034 Uiso 1 1 calc R U . . .
C65 C 0.3958(5) 0.28668(15) 0.4948(4) 0.0244(12) Uani 1 1 d . . . . .
H65 H 0.364725 0.276939 0.538056 0.029 Uiso 1 1 calc R U . . .
C66 C 0.4320(4) 0.32248(14) 0.5003(4) 0.0196(11) Uani 1 1 d . . . . .
C67 C 0.4122(5) 0.34530(15) 0.5701(4) 0.0204(11) Uani 1 1 d . . . . .
C68 C 0.3792(5) 0.37959(15) 0.5587(4) 0.0213(11) Uani 1 1 d . . . . .
H68 H 0.370075 0.392073 0.607251 0.026 Uiso 1 1 calc R U . . .
C69 C 0.3556(5) 0.40005(15) 0.4808(4) 0.0215(11) Uani 1 1 d . . . . .
C70 C 0.2671(5) 0.42399(15) 0.4674(4) 0.0235(12) Uani 1 1 d . . . . .
H70 H 0.227230 0.427718 0.509985 0.028 Uiso 1 1 calc R U . . .
C71 C 0.2374(5) 0.44220(16) 0.3930(4) 0.0274(12) Uani 1 1 d . . . . .
H71 H 0.175574 0.457761 0.383691 0.033 Uiso 1 1 calc R U . . .
C72 C 0.2977(5) 0.43780(15) 0.3317(4) 0.0255(12) Uani 1 1 d . . . . .
H72 H 0.277227 0.450413 0.280481 0.031 Uiso 1 1 calc R U . . .
C73 C 0.3876(5) 0.41512(15) 0.3450(4) 0.0219(11) Uani 1 1 d . . . . .
H73 H 0.429236 0.412263 0.303115 0.026 Uiso 1 1 calc R U . . .
C74 C 0.4170(4) 0.39641(14) 0.4204(4) 0.0191(10) Uani 1 1 d . . . . .
C75 C 0.4198(5) 0.32934(15) 0.6543(4) 0.0230(12) Uani 1 1 d . . . . .
C76 C 0.4997(5) 0.30370(16) 0.6871(4) 0.0268(12) Uani 1 1 d . . . . .
H76 H 0.547421 0.295076 0.653383 0.032 Uiso 1 1 calc R U . . .
C77 C 0.5106(6) 0.29062(18) 0.7675(4) 0.0336(14) Uani 1 1 d . . . . .
H77 H 0.565088 0.273186 0.788407 0.040 Uiso 1 1 calc R U . . .
C78 C 0.4414(7) 0.30311(19) 0.8175(4) 0.0380(16) Uani 1 1 d . . . . .
H78 H 0.449119 0.294516 0.872945 0.046 Uiso 1 1 calc R U . . .
C79 C 0.3614(7) 0.32808(19) 0.7861(5) 0.0379(16) Uani 1 1 d . . . . .
H79 H 0.314043 0.336695 0.820164 0.045 Uiso 1 1 calc R U . . .
C80 C 0.3499(6) 0.34057(17) 0.7055(4) 0.0300(13) Uani 1 1 d . . . . .
H80 H 0.293045 0.357203 0.684337 0.036 Uiso 1 1 calc R U . . .
C81 C 0.8362(5) 0.59842(15) 0.4382(4) 0.0240(12) Uani 1 1 d . . . . .
C82 C 0.8910(6) 0.57447(16) 0.4990(4) 0.0298(13) Uani 1 1 d . . . . .
H82 H 0.850432 0.557762 0.524181 0.036 Uiso 1 1 calc R U . . .
C83 C 1.0036(6) 0.57542(18) 0.5219(5) 0.0351(15) Uani 1 1 d . . . . .
H83 H 1.040890 0.560664 0.566148 0.042 Uiso 1 1 calc R U . . .
C84 C 1.0639(6) 0.59813(17) 0.4801(5) 0.0330(14) Uani 1 1 d . . . . .
C85 C 1.1814(6) 0.59629(19) 0.4956(5) 0.0389(16) Uani 1 1 d . . . . .
H85 H 1.219980 0.581024 0.538326 0.047 Uiso 1 1 calc R U . . .
C86 C 1.2388(6) 0.6164(2) 0.4492(6) 0.0423(18) Uani 1 1 d . . . . .
H86 H 1.316643 0.614565 0.458886 0.051 Uiso 1 1 calc R U . . .
C87 C 1.1830(6) 0.63971(19) 0.3876(5) 0.0393(16) Uani 1 1 d . . . . .
H87 H 1.223410 0.653194 0.355231 0.047 Uiso 1 1 calc R U . . .
C88 C 1.0707(6) 0.64338(17) 0.3732(5) 0.0339(14) Uani 1 1 d . . . . .
H88 H 1.034593 0.659971 0.332578 0.041 Uiso 1 1 calc R U . . .
C89 C 1.0090(5) 0.62265(16) 0.4184(4) 0.0277(13) Uani 1 1 d . . . . .
C90 C 0.8902(5) 0.62389(15) 0.4024(4) 0.0241(12) Uani 1 1 d . . . . .
C91 C 0.8269(5) 0.65158(15) 0.3481(4) 0.0245(12) Uani 1 1 d . . . . .
C92 C 0.8453(6) 0.68906(16) 0.3669(4) 0.0289(13) Uani 1 1 d . . . . .
C93 C 0.9175(6) 0.70128(17) 0.4404(5) 0.0337(14) Uani 1 1 d . . . . .
H93 H 0.958911 0.684377 0.477644 0.040 Uiso 1 1 calc R U . . .
C94 C 0.9286(6) 0.73711(18) 0.4586(5) 0.0409(17) Uani 1 1 d . . . . .
H94 H 0.977815 0.744872 0.507891 0.049 Uiso 1 1 calc R U . . .
C95 C 0.8670(7) 0.76239(18) 0.4044(6) 0.0447(19) Uani 1 1 d . . . . .
H95 H 0.874421 0.787171 0.417490 0.054 Uiso 1 1 calc R U . . .
C96 C 0.7976(7) 0.75169(18) 0.3341(6) 0.0429(18) Uani 1 1 d . . . . .
H96 H 0.756590 0.769159 0.298306 0.052 Uiso 1 1 calc R U . . .
C97 C 0.7842(6) 0.71494(17) 0.3121(5) 0.0332(14) Uani 1 1 d . . . . .
C98 C 0.7101(6) 0.70314(17) 0.2401(5) 0.0356(15) Uani 1 1 d . . . . .
H98 H 0.673850 0.720271 0.200900 0.043 Uiso 1 1 calc R U . . .
C99 C 0.6890(6) 0.66758(17) 0.2254(4) 0.0295(13) Uani 1 1 d . . . . .
H99 H 0.636835 0.660009 0.177487 0.035 Uiso 1 1 calc R U . . .
C100 C 0.7455(5) 0.64244(15) 0.2818(4) 0.0242(12) Uani 1 1 d . . . . .
C101 C 0.5083(5) 0.63916(16) 0.3348(5) 0.0302(14) Uani 1 1 d . . . . .
C102 C 0.5521(7) 0.6541(2) 0.4119(6) 0.0435(18) Uani 1 1 d . . . . .
H102 H 0.597058 0.639915 0.453700 0.052 Uiso 1 1 calc R U . . .
C103 C 0.5317(8) 0.6892(2) 0.4289(7) 0.058(2) Uani 1 1 d . . . . .
H103 H 0.563130 0.699382 0.481698 0.069 Uiso 1 1 calc R U . . .
C104 C 0.4650(8) 0.7093(2) 0.3682(7) 0.059(3) Uani 1 1 d . . . . .
H104 H 0.450720 0.733700 0.378991 0.071 Uiso 1 1 calc R U . . .
C105 C 0.4188(7) 0.69449(19) 0.2921(7) 0.050(2) Uani 1 1 d . . . . .
H105 H 0.371451 0.708761 0.251742 0.060 Uiso 1 1 calc R U . . .
C106 C 0.4392(6) 0.65901(17) 0.2720(5) 0.0369(16) Uani 1 1 d . . . . .
C107 C 0.3854(6) 0.64410(18) 0.1896(5) 0.0377(16) Uani 1 1 d . . . . .
C108 C 0.3466(5) 0.61032(17) 0.1810(4) 0.0294(13) Uani 1 1 d . . . . .
H108 H 0.311611 0.603525 0.125969 0.035 Uiso 1 1 calc R U . . .
C109 C 0.3509(5) 0.58278(15) 0.2445(4) 0.0244(12) Uani 1 1 d . . . . .
C110 C 0.2637(5) 0.55762(16) 0.2349(4) 0.0252(12) Uani 1 1 d . . . . .
H110 H 0.202137 0.560038 0.189775 0.030 Uiso 1 1 calc R U . . .
C111 C 0.2674(5) 0.53003(17) 0.2897(4) 0.0284(12) Uani 1 1 d . . . . .
H111 H 0.210247 0.512687 0.280833 0.034 Uiso 1 1 calc R U . . .
C112 C 0.3545(5) 0.52701(18) 0.3589(4) 0.0270(12) Uani 1 1 d . . . . .
H112 H 0.356243 0.508007 0.397616 0.032 Uiso 1 1 calc R U . . .
C113 C 0.4378(5) 0.55191(16) 0.3701(4) 0.0247(12) Uani 1 1 d . . . . .
H113 H 0.495882 0.550440 0.418048 0.030 Uiso 1 1 calc R U . . .
C114 C 0.4384(5) 0.57902(15) 0.3129(4) 0.0214(11) Uani 1 1 d . . . . .
C115 C 0.3696(7) 0.6673(2) 0.1139(6) 0.0448(19) Uani 1 1 d . . . . .
C116 C 0.4422(7) 0.6946(2) 0.1062(6) 0.0459(19) Uani 1 1 d . . . . .
H116 H 0.498811 0.700627 0.152814 0.055 Uiso 1 1 calc R U . . .
C117 C 0.4343(9) 0.7135(3) 0.0323(7) 0.064(3) Uani 1 1 d . . . . .
H117 H 0.487978 0.731026 0.027780 0.077 Uiso 1 1 calc R U . . .
C118 C 0.3501(11) 0.7069(3) -0.0336(9) 0.087(4) Uani 1 1 d . . . . .
H118 H 0.345158 0.719666 -0.084316 0.104 Uiso 1 1 calc R U . . .
C119 C 0.2720(11) 0.6817(4) -0.0269(9) 0.097(5) Uani 1 1 d . . . . .
H119 H 0.210983 0.677977 -0.071894 0.117 Uiso 1 1 calc R U . . .
C120 C 0.2822(8) 0.6617(3) 0.0451(8) 0.070(3) Uani 1 1 d . . . . .
H120 H 0.229033 0.643767 0.048312 0.084 Uiso 1 1 calc R U . . .
C121 C 0.4371(5) 0.49935(15) 0.1020(4) 0.0215(11) Uani 1 1 d . . . . .
C122 C 0.3965(5) 0.46792(16) 0.1329(4) 0.0241(12) Uani 1 1 d . . . . .
H122 H 0.445556 0.450694 0.163021 0.029 Uiso 1 1 calc R U . . .
C123 C 0.2846(5) 0.46272(17) 0.1184(4) 0.0273(12) Uani 1 1 d . . . . .
H123 H 0.256421 0.440841 0.134769 0.033 Uiso 1 1 calc R U . . .
C124 C 0.2111(5) 0.48953(18) 0.0794(4) 0.0268(12) Uani 1 1 d . . . . .
C125 C 0.0963(5) 0.4866(2) 0.0739(4) 0.0326(14) Uani 1 1 d . . . . .
H125 H 0.067159 0.465375 0.092953 0.039 Uiso 1 1 calc R U . . .
C126 C 0.0272(6) 0.5137(2) 0.0417(5) 0.0396(17) Uani 1 1 d . . . . .
H126 H -0.049354 0.511504 0.039441 0.047 Uiso 1 1 calc R U . . .
C127 C 0.0681(6) 0.5448(2) 0.0118(4) 0.0354(15) Uani 1 1 d . . . . .
H127 H 0.019403 0.563794 -0.009806 0.042 Uiso 1 1 calc R U . . .
C128 C 0.1785(5) 0.54803(18) 0.0136(4) 0.0280(13) Uani 1 1 d . . . . .
H128 H 0.205157 0.569026 -0.008153 0.034 Uiso 1 1 calc R U . . .
C129 C 0.2529(5) 0.52073(17) 0.0472(4) 0.0253(12) Uani 1 1 d . . . . .
C130 C 0.3697(5) 0.52387(16) 0.0542(3) 0.0218(11) Uani 1 1 d . . . . .
C131 C 0.4171(5) 0.55357(16) 0.0121(4) 0.0234(11) Uani 1 1 d . . . . .
C132 C 0.3828(5) 0.55950(18) -0.0760(4) 0.0279(13) Uani 1 1 d . . . . .
C133 C 0.3119(6) 0.53605(18) -0.1298(4) 0.0313(14) Uani 1 1 d . . . . .
H133 H 0.281249 0.516078 -0.106972 0.038 Uiso 1 1 calc R U . . .
C134 C 0.2866(7) 0.5414(2) -0.2134(5) 0.0427(17) Uani 1 1 d . . . . .
H134 H 0.239423 0.525130 -0.248386 0.051 Uiso 1 1 calc R U . . .
C135 C 0.3301(8) 0.5711(3) -0.2487(5) 0.049(2) Uani 1 1 d . . . . .
H135 H 0.313476 0.574514 -0.307462 0.059 Uiso 1 1 calc R U . . .
C136 C 0.3950(8) 0.5947(2) -0.1990(5) 0.048(2) Uani 1 1 d . . . . .
H136 H 0.420923 0.615269 -0.222826 0.057 Uiso 1 1 calc R U . . .
C137 C 0.4255(6) 0.58927(19) -0.1118(4) 0.0345(14) Uani 1 1 d . . . . .
C138 C 0.5015(6) 0.61263(19) -0.0610(4) 0.0355(15) Uani 1 1 d . . . . .
H138 H 0.526785 0.633452 -0.084383 0.043 Uiso 1 1 calc R U . . .
C139 C 0.5381(5) 0.60510(17) 0.0214(4) 0.0291(13) Uani 1 1 d . . . . .
H139 H 0.590537 0.620284 0.055378 0.035 Uiso 1 1 calc R U . . .
C140 C 0.4984(5) 0.57499(15) 0.0559(4) 0.0232(11) Uani 1 1 d . . . . .
C141 C 0.7405(5) 0.54357(17) 0.0542(4) 0.0263(12) Uani 1 1 d . . . . .
C142 C 0.6956(6) 0.51907(19) -0.0078(4) 0.0339(14) Uani 1 1 d . . . . .
H142 H 0.660606 0.498056 0.006359 0.041 Uiso 1 1 calc R U . . .
C143 C 0.7016(6) 0.5252(3) -0.0903(5) 0.0428(17) Uani 1 1 d . . . . .
H143 H 0.668593 0.508790 -0.132621 0.051 Uiso 1 1 calc R U . . .
C144 C 0.7558(6) 0.5551(2) -0.1105(5) 0.0415(17) Uani 1 1 d . . . . .
H144 H 0.760827 0.559191 -0.166696 0.050 Uiso 1 1 calc R U . . .
C145 C 0.8029(6) 0.5791(2) -0.0484(5) 0.0366(16) Uani 1 1 d . . . . .
H145 H 0.839594 0.599661 -0.063204 0.044 Uiso 1 1 calc R U . . .
C146 C 0.7978(5) 0.57399(17) 0.0347(4) 0.0266(12) Uani 1 1 d . . . . .
C147 C 0.8562(6) 0.59924(17) 0.0988(4) 0.0307(14) Uani 1 1 d . . . . .
C148 C 0.9033(5) 0.59036(17) 0.1774(4) 0.0271(13) Uani 1 1 d . . . . .
H148 H 0.937859 0.609616 0.210866 0.033 Uiso 1 1 calc R U . . .
C149 C 0.9100(5) 0.55580(16) 0.2198(4) 0.0259(12) Uani 1 1 d . . . . .
C150 C 0.9981(5) 0.54927(17) 0.2870(4) 0.0284(13) Uani 1 1 d . . . . .
H150 H 1.051971 0.567357 0.303694 0.034 Uiso 1 1 calc R U . . .
C151 C 1.0084(5) 0.51707(18) 0.3298(4) 0.0316(14) Uani 1 1 d . . . . .
H151 H 1.066031 0.513769 0.377392 0.038 Uiso 1 1 calc R U . . .
C152 C 0.9342(5) 0.48966(18) 0.3028(5) 0.0303(14) Uani 1 1 d . . . . .
H152 H 0.943054 0.467038 0.329939 0.036 Uiso 1 1 calc R U . . .
C153 C 0.8467(5) 0.49556(16) 0.2356(4) 0.0255(12) Uani 1 1 d . . . . .
H153 H 0.796763 0.476670 0.215865 0.031 Uiso 1 1 calc R U . . .
C154 C 0.8320(4) 0.52883(16) 0.1974(4) 0.0226(11) Uani 1 1 d . . . . .
C155 C 0.8719(8) 0.6369(2) 0.0723(5) 0.0452(19) Uani 1 1 d . . . . .
C156 C 0.7873(9) 0.6566(2) 0.0238(7) 0.055(2) Uani 1 1 d . . . . .
H156 H 0.718010 0.645629 0.002770 0.067 Uiso 1 1 calc R U . . .
C157 C 0.8041(13) 0.6925(3) 0.0058(8) 0.082(4) Uani 1 1 d . . . . .
H157 H 0.745223 0.705993 -0.026267 0.098 Uiso 1 1 calc R U . . .
C158 C 0.9034(17) 0.7086(3) 0.0334(10) 0.106(6) Uani 1 1 d . . . . .
H158 H 0.912449 0.733257 0.022688 0.127 Uiso 1 1 calc R U . . .
C159 C 0.9917(15) 0.6887(4) 0.0773(9) 0.103(5) Uani 1 1 d . . . . .
H159 H 1.061862 0.699595 0.094522 0.124 Uiso 1 1 calc R U . . .
C160 C 0.9766(11) 0.6526(3) 0.0959(7) 0.075(3) Uani 1 1 d . . . . .
H160 H 1.037072 0.638829 0.124477 0.090 Uiso 1 1 calc R U . . .
C161 C 0.2978(12) 0.3100(4) 0.0108(8) 0.086(4) Uani 1 1 d . . . . .
H161 H 0.289982 0.297128 -0.040105 0.104 Uiso 1 1 calc R U . . .
C162 C 0.3464(11) 0.3426(4) 0.0182(8) 0.079(3) Uani 1 1 d . . . . .
H162 H 0.371884 0.352631 -0.027470 0.094 Uiso 1 1 calc R U . . .
C163 C 0.3587(10) 0.3614(3) 0.0925(8) 0.068(3) Uani 1 1 d . . . . .
H163 H 0.394712 0.383963 0.098631 0.082 Uiso 1 1 calc R U . . .
C164 C 0.3187(9) 0.3471(3) 0.1573(6) 0.062(2) Uani 1 1 d . . . . .
H164 H 0.325891 0.360099 0.207997 0.074 Uiso 1 1 calc R U . . .
C165 C 0.2694(10) 0.3148(3) 0.1494(7) 0.067(3) Uani 1 1 d . . . . .
H165 H 0.241239 0.305582 0.194565 0.081 Uiso 1 1 calc R U . . .
C166 C 0.2586(12) 0.2949(3) 0.0777(9) 0.088(4) Uani 1 1 d . . . . .
H166 H 0.225980 0.271773 0.073322 0.105 Uiso 1 1 calc R U . . .
C167 C 0.9867(7) 0.6434(2) 0.6893(4) 0.079(3) Uani 1 1 d G . . . .
H167 H 0.971445 0.647212 0.630697 0.094 Uiso 1 1 calc R U . . .
C168 C 0.9185(6) 0.6581(2) 0.7374(6) 0.109(5) Uani 1 1 d G . . . .
H168 H 0.856661 0.671986 0.711763 0.131 Uiso 1 1 calc R U . . .
C169 C 0.9409(7) 0.6524(2) 0.8231(6) 0.100(5) Uani 1 1 d G . . . .
H169 H 0.894315 0.662485 0.856030 0.120 Uiso 1 1 calc R U . . .
C170 C 1.0315(8) 0.6321(2) 0.8607(4) 0.077(3) Uani 1 1 d G . . . .
H170 H 1.046753 0.628209 0.919231 0.093 Uiso 1 1 calc R U . . .
C171 C 1.0997(6) 0.6174(2) 0.8125(4) 0.074(3) Uani 1 1 d G . . . .
H171 H 1.161537 0.603435 0.838167 0.089 Uiso 1 1 calc R U . . .
C172 C 1.0773(6) 0.6230(2) 0.7268(4) 0.070(3) Uani 1 1 d G . . . .
H172 H 1.123885 0.612936 0.693900 0.084 Uiso 1 1 calc R U . . .
C197 C 1.0228(14) 0.2508(4) 0.1659(11) 0.104(5) Uani 1 1 d . . . . .
H19A H 1.010132 0.240931 0.218408 0.157 Uiso 1 1 calc R U . . .
H19B H 1.101316 0.255857 0.171571 0.157 Uiso 1 1 calc R U . . .
H19C H 0.999309 0.233301 0.121013 0.157 Uiso 1 1 calc R U . . .
C198 C 0.9590(12) 0.2843(4) 0.1457(10) 0.087(4) Uani 1 1 d . . . . .
H19D H 0.974739 0.300010 0.195410 0.105 Uiso 1 1 calc R U . . .
H19E H 0.985799 0.296748 0.100581 0.105 Uiso 1 1 calc R U . . .
C199 C 0.8383(12) 0.2802(4) 0.1193(8) 0.082(4) Uani 1 1 d . . . . .
H19F H 0.813281 0.264289 0.159864 0.099 Uiso 1 1 calc R U . . .
H19G H 0.822161 0.267820 0.064669 0.099 Uiso 1 1 calc R U . . .
C200 C 0.7700(14) 0.3143(4) 0.1113(10) 0.096(4) Uani 1 1 d . . . . .
H20A H 0.788964 0.328635 0.065612 0.115 Uiso 1 1 calc R U . . .
H20B H 0.794290 0.328121 0.163373 0.115 Uiso 1 1 calc R U . . .
C201 C 0.6446(13) 0.3116(5) 0.0947(11) 0.105(5) Uani 1 1 d . . . . .
H20C H 0.614154 0.336070 0.083655 0.126 Uiso 1 1 calc R U . . .
H20D H 0.619573 0.297466 0.043158 0.126 Uiso 1 1 calc R U . . .
C202 C 0.5962(13) 0.2955(4) 0.1615(10) 0.095(4) Uani 1 1 d . . . . .
H20E H 0.609937 0.311203 0.210430 0.143 Uiso 1 1 calc R U . . .
H20F H 0.630031 0.272042 0.176911 0.143 Uiso 1 1 calc R U . . .
H20G H 0.516812 0.292495 0.141200 0.143 Uiso 1 1 calc R U . . .
C176 C 0.6522(18) 0.6316(8) 0.7361(16) 0.150(12) Uani 0.53(2) 1 d G U P A 1
H176 H 0.716211 0.626670 0.777649 0.180 Uiso 0.53(2) 1 calc R U P A 1
C177 C 0.599(2) 0.6644(7) 0.7356(14) 0.136(11) Uani 0.53(2) 1 d G U P A 1
H177 H 0.627049 0.681894 0.776740 0.163 Uiso 0.53(2) 1 calc R U P A 1
C178 C 0.5055(18) 0.6716(5) 0.6748(14) 0.086(7) Uani 0.53(2) 1 d G U P A 1
H178 H 0.469350 0.694066 0.674406 0.104 Uiso 0.53(2) 1 calc R U P A 1
C173 C 0.4648(15) 0.6461(6) 0.6145(12) 0.091(7) Uani 0.53(2) 1 d G U P A 1
H173 H 0.400812 0.651015 0.572981 0.110 Uiso 0.53(2) 1 calc R U P A 1
C174 C 0.5178(19) 0.6133(6) 0.6151(13) 0.112(9) Uani 0.53(2) 1 d G U P A 1
H174 H 0.489971 0.595791 0.573888 0.134 Uiso 0.53(2) 1 calc R U P A 1
C175 C 0.6115(19) 0.6060(6) 0.6759(17) 0.119(10) Uani 0.53(2) 1 d G U P A 1
H175 H 0.647671 0.583618 0.676221 0.143 Uiso 0.53(2) 1 calc R U P A 1
C191 C 0.9310(16) 0.2693(6) 0.7436(10) 0.085(5) Uani 0.486(14) 1 d G U P B 1
H191 H 0.935947 0.260142 0.690543 0.102 Uiso 0.486(14) 1 calc R U P B 1
C192 C 0.8314(13) 0.2682(6) 0.7690(11) 0.090(5) Uani 0.486(14) 1 d G U P B 1
H192 H 0.768333 0.258189 0.733327 0.108 Uiso 0.486(14) 1 calc R U P B 1
C193 C 0.8241(12) 0.2816(6) 0.8466(12) 0.088(5) Uani 0.486(14) 1 d G U P B 1
H193 H 0.756055 0.280850 0.864006 0.105 Uiso 0.486(14) 1 calc R U P B 1
C194 C 0.9164(15) 0.2963(5) 0.8988(10) 0.081(5) Uani 0.486(14) 1 d G U P B 1
H194 H 0.911390 0.305464 0.951901 0.097 Uiso 0.486(14) 1 calc R U P B 1
C195 C 1.0159(13) 0.2974(5) 0.8734(11) 0.078(5) Uani 0.486(14) 1 d G U P B 1
H195 H 1.079004 0.307418 0.909118 0.094 Uiso 0.486(14) 1 calc R U P B 1
C196 C 1.0232(13) 0.2840(6) 0.7958(12) 0.082(5) Uani 0.486(14) 1 d G U P B 1
H196 H 1.091284 0.284757 0.778439 0.099 Uiso 0.486(14) 1 calc R U P B 1
C181 C 0.6294(19) 0.6343(7) 0.7132(16) 0.128(11) Uani 0.47(2) 1 d G U P A 2
H181 H 0.683450 0.616056 0.717869 0.154 Uiso 0.47(2) 1 calc R U P A 2
C182 C 0.6361(16) 0.6597(7) 0.7761(13) 0.104(9) Uani 0.47(2) 1 d G U P A 2
H182 H 0.694794 0.658758 0.823766 0.124 Uiso 0.47(2) 1 calc R U P A 2
C183 C 0.5570(16) 0.6864(5) 0.7693(12) 0.077(7) Uani 0.47(2) 1 d G U P A 2
H183 H 0.561594 0.703767 0.812334 0.092 Uiso 0.47(2) 1 calc R U P A 2
C184 C 0.4711(15) 0.6878(5) 0.6996(14) 0.090(8) Uani 0.47(2) 1 d G U P A 2
H184 H 0.417049 0.706073 0.695005 0.108 Uiso 0.47(2) 1 calc R U P A 2
C179 C 0.4644(18) 0.6624(7) 0.6367(12) 0.100(9) Uani 0.47(2) 1 d G U P A 2
H179 H 0.405704 0.663372 0.589108 0.120 Uiso 0.47(2) 1 calc R U P A 2
C180 C 0.544(2) 0.6357(6) 0.6435(13) 0.092(8) Uani 0.47(2) 1 d G U P A 2
H180 H 0.538903 0.618363 0.600538 0.110 Uiso 0.47(2) 1 calc R U P A 2
C190 C 0.9911(15) 0.2823(6) 0.7872(14) 0.093(5) Uani 0.514(14) 1 d G U P B 2
H190 H 1.053079 0.292423 0.770617 0.111 Uiso 0.514(14) 1 calc R U P B 2
C189 C 0.9546(17) 0.2965(5) 0.8548(13) 0.096(5) Uani 0.514(14) 1 d G U P B 2
H189 H 0.991702 0.316401 0.884369 0.115 Uiso 0.514(14) 1 calc R U P B 2
C188 C 0.8639(17) 0.2817(5) 0.8791(11) 0.087(5) Uani 0.514(14) 1 d G U P B 2
H188 H 0.839010 0.291461 0.925327 0.104 Uiso 0.514(14) 1 calc R U P B 2
C187 C 0.8097(13) 0.2527(5) 0.8359(11) 0.080(4) Uani 0.514(14) 1 d G U P B 2
H187 H 0.747695 0.242543 0.852534 0.097 Uiso 0.514(14) 1 calc R U P B 2
C186 C 0.8461(15) 0.2384(5) 0.7683(11) 0.087(5) Uani 0.514(14) 1 d G U P B 2
H186 H 0.809070 0.218564 0.738783 0.104 Uiso 0.514(14) 1 calc R U P B 2
C185 C 0.9368(16) 0.2532(5) 0.7440(11) 0.085(5) Uani 0.514(14) 1 d G U P B 2
H185 H 0.961762 0.243504 0.697823 0.103 Uiso 0.514(14) 1 calc R U P B 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 2.4192(13) . ?
Rh1 Cl2 2.4206(13) . ?
Rh1 P1 2.1622(14) . ?
Rh1 P2 2.1627(13) . ?
Rh2 Cl1 2.4353(14) . ?
Rh2 Cl2 2.4332(13) . ?
Rh2 P3 2.1587(14) . ?
Rh2 P4 2.1527(14) . ?
P1 O1 1.621(4) . ?
P1 O2 1.617(4) . ?
P1 N1 1.672(5) . ?
P2 O3 1.647(4) . ?
P2 O4 1.620(4) . ?
P2 N2 1.664(5) . ?
P3 O5 1.633(5) . ?
P3 O6 1.622(4) . ?
P3 N3 1.680(5) . ?
P4 O7 1.633(4) . ?
P4 O8 1.612(4) . ?
P4 N4 1.673(5) . ?
O1 C1 1.393(7) . ?
O2 C20 1.412(7) . ?
O3 C41 1.400(7) . ?
O4 C60 1.391(7) . ?
O5 C81 1.396(7) . ?
O6 C100 1.401(7) . ?
O7 C121 1.393(7) . ?
O8 C140 1.396(7) . ?
N1 C21 1.446(8) . ?
N1 C34 1.450(7) . ?
N2 C61 1.453(7) . ?
N2 C74 1.437(7) . ?
N3 C101 1.447(7) . ?
N3 C114 1.436(7) . ?
N4 C141 1.431(8) . ?
N4 C154 1.444(8) . ?
C1 C2 1.399(9) . ?
C1 C10 1.374(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.383(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.411(11) . ?
C4 C5 1.415(10) . ?
C4 C9 1.424(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.366(12) . ?
C6 H6 0.9500 . ?
C6 C7 1.393(13) . ?
C7 H7 0.9500 . ?
C7 C8 1.373(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.421(9) . ?
C9 C10 1.443(8) . ?
C10 C11 1.490(9) . ?
C11 C12 1.444(9) . ?
C11 C20 1.365(9) . ?
C12 C13 1.423(9) . ?
C12 C17 1.411(10) . ?
C13 H13 0.9500 . ?
C13 C14 1.388(11) . ?
C14 H14 0.9500 . ?
C14 C15 1.385(13) . ?
C15 H15 0.9500 . ?
C15 C16 1.350(12) . ?
C16 H16 0.9500 . ?
C16 C17 1.431(10) . ?
C17 C18 1.423(10) . ?
C18 H18 0.9500 . ?
C18 C19 1.354(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.403(9) . ?
C21 C22 1.391(9) . ?
C21 C26 1.403(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.386(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.394(10) . ?
C24 H24 0.9500 . ?
C24 C25 1.382(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.408(9) . ?
C26 C27 1.481(10) . ?
C27 C28 1.344(10) . ?
C27 C35 1.481(10) . ?
C28 H28 0.9500 . ?
C28 C29 1.455(10) . ?
C29 C30 1.411(9) . ?
C29 C34 1.375(9) . ?
C30 H30 0.9500 . ?
C30 C31 1.373(12) . ?
C31 H31 0.9500 . ?
C31 C32 1.370(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.390(9) . ?
C33 H33 0.9500 . ?
C33 C34 1.394(9) . ?
C35 C36 1.383(12) . ?
C35 C40 1.406(12) . ?
C36 H36 0.9500 . ?
C36 C37 1.398(12) . ?
C37 H37 0.9500 . ?
C37 C38 1.370(14) . ?
C38 H38 0.9500 . ?
C38 C39 1.372(14) . ?
C39 H39 0.9500 . ?
C39 C40 1.385(12) . ?
C40 H40 0.9500 . ?
C41 C42 1.404(8) . ?
C41 C50 1.374(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.366(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.415(10) . ?
C44 C45 1.431(9) . ?
C44 C49 1.422(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.373(11) . ?
C46 H46 0.9500 . ?
C46 C47 1.400(11) . ?
C47 H47 0.9500 . ?
C47 C48 1.370(9) . ?
C48 H48 0.9500 . ?
C48 C49 1.420(9) . ?
C49 C50 1.436(8) . ?
C50 C51 1.485(8) . ?
C51 C52 1.448(8) . ?
C51 C60 1.373(9) . ?
C52 C53 1.412(11) . ?
C52 C57 1.418(9) . ?
C53 H53 0.9500 . ?
C53 C54 1.374(10) . ?
C54 H54 0.9500 . ?
C54 C55 1.381(14) . ?
C55 H55 0.9500 . ?
C55 C56 1.373(14) . ?
C56 H56 0.9500 . ?
C56 C57 1.408(10) . ?
C57 C58 1.420(12) . ?
C58 H58 0.9500 . ?
C58 C59 1.350(10) . ?
C59 H59 0.9500 . ?
C59 C60 1.413(8) . ?
C61 C62 1.395(8) . ?
C61 C66 1.399(8) . ?
C62 H62 0.9500 . ?
C62 C63 1.389(8) . ?
C63 H63 0.9500 . ?
C63 C64 1.386(9) . ?
C64 H64 0.9500 . ?
C64 C65 1.391(9) . ?
C65 H65 0.9500 . ?
C65 C66 1.407(8) . ?
C66 C67 1.490(8) . ?
C67 C68 1.345(8) . ?
C67 C75 1.488(8) . ?
C68 H68 0.9500 . ?
C68 C69 1.464(9) . ?
C69 C70 1.398(8) . ?
C69 C74 1.382(9) . ?
C70 H70 0.9500 . ?
C70 C71 1.377(9) . ?
C71 H71 0.9500 . ?
C71 C72 1.387(9) . ?
C72 H72 0.9500 . ?
C72 C73 1.383(8) . ?
C73 H73 0.9500 . ?
C73 C74 1.400(8) . ?
C75 C76 1.402(9) . ?
C75 C80 1.397(9) . ?
C76 H76 0.9500 . ?
C76 C77 1.387(9) . ?
C77 H77 0.9500 . ?
C77 C78 1.390(11) . ?
C78 H78 0.9500 . ?
C78 C79 1.381(11) . ?
C79 H79 0.9500 . ?
C79 C80 1.381(10) . ?
C80 H80 0.9500 . ?
C81 C82 1.404(9) . ?
C81 C90 1.367(8) . ?
C82 H82 0.9500 . ?
C82 C83 1.372(10) . ?
C83 H83 0.9500 . ?
C83 C84 1.404(11) . ?
C84 C85 1.433(10) . ?
C84 C89 1.427(10) . ?
C85 H85 0.9500 . ?
C85 C86 1.375(12) . ?
C86 H86 0.9500 . ?
C86 C87 1.400(12) . ?
C87 H87 0.9500 . ?
C87 C88 1.374(10) . ?
C88 H88 0.9500 . ?
C88 C89 1.407(10) . ?
C89 C90 1.447(9) . ?
C90 C91 1.478(9) . ?
C91 C92 1.441(8) . ?
C91 C100 1.362(9) . ?
C92 C93 1.417(10) . ?
C92 C97 1.425(9) . ?
C93 H93 0.9500 . ?
C93 C94 1.371(9) . ?
C94 H94 0.9500 . ?
C94 C95 1.407(11) . ?
C95 H95 0.9500 . ?
C95 C96 1.346(12) . ?
C96 H96 0.9500 . ?
C96 C97 1.419(9) . ?
C97 C98 1.406(11) . ?
C98 H98 0.9500 . ?
C98 C99 1.365(9) . ?
C99 H99 0.9500 . ?
C99 C100 1.398(9) . ?
C101 C102 1.384(11) . ?
C101 C106 1.405(11) . ?
C102 H102 0.9500 . ?
C102 C103 1.374(10) . ?
C103 H103 0.9500 . ?
C103 C104 1.377(16) . ?
C104 H104 0.9500 . ?
C104 C105 1.376(15) . ?
C105 H105 0.9500 . ?
C105 C106 1.401(10) . ?
C106 C107 1.484(12) . ?
C107 C108 1.347(10) . ?
C107 C115 1.492(11) . ?
C108 H108 0.9500 . ?
C108 C109 1.456(9) . ?
C109 C110 1.418(8) . ?
C109 C114 1.395(9) . ?
C110 H110 0.9500 . ?
C110 C111 1.361(9) . ?
C111 H111 0.9500 . ?
C111 C112 1.398(9) . ?
C112 H112 0.9500 . ?
C112 C113 1.375(9) . ?
C113 H113 0.9500 . ?
C113 C114 1.382(9) . ?
C115 C116 1.387(11) . ?
C115 C120 1.406(13) . ?
C116 H116 0.9500 . ?
C116 C117 1.386(13) . ?
C117 H117 0.9500 . ?
C117 C118 1.360(16) . ?
C118 H118 0.9500 . ?
C118 C119 1.373(16) . ?
C119 H119 0.9500 . ?
C119 C120 1.380(15) . ?
C120 H120 0.9500 . ?
C121 C122 1.414(8) . ?
C121 C130 1.371(9) . ?
C122 H122 0.9500 . ?
C122 C123 1.376(9) . ?
C123 H123 0.9500 . ?
C123 C124 1.414(10) . ?
C124 C125 1.418(9) . ?
C124 C129 1.422(9) . ?
C125 H125 0.9500 . ?
C125 C126 1.361(11) . ?
C126 H126 0.9500 . ?
C126 C127 1.398(11) . ?
C127 H127 0.9500 . ?
C127 C128 1.374(9) . ?
C128 H128 0.9500 . ?
C128 C129 1.408(9) . ?
C129 C130 1.439(8) . ?
C130 C131 1.492(8) . ?
C131 C132 1.436(9) . ?
C131 C140 1.367(9) . ?
C132 C133 1.412(9) . ?
C132 C137 1.413(10) . ?
C133 H133 0.9500 . ?
C133 C134 1.355(10) . ?
C134 H134 0.9500 . ?
C134 C135 1.411(12) . ?
C135 H135 0.9500 . ?
C135 C136 1.346(12) . ?
C136 H136 0.9500 . ?
C136 C137 1.413(10) . ?
C137 C138 1.420(10) . ?
C138 H138 0.9500 . ?
C138 C139 1.361(10) . ?
C139 H139 0.9500 . ?
C139 C140 1.395(8) . ?
C141 C142 1.393(10) . ?
C141 C146 1.414(9) . ?
C142 H142 0.9500 . ?
C142 C143 1.390(10) . ?
C143 H143 0.9500 . ?
C143 C144 1.381(12) . ?
C144 H144 0.9500 . ?
C144 C145 1.391(12) . ?
C145 H145 0.9500 . ?
C145 C146 1.392(10) . ?
C146 C147 1.482(10) . ?
C147 C148 1.340(10) . ?
C147 C155 1.496(10) . ?
C148 H148 0.9500 . ?
C148 C149 1.460(9) . ?
C149 C150 1.401(9) . ?
C149 C154 1.393(9) . ?
C150 H150 0.9500 . ?
C150 C151 1.383(10) . ?
C151 H151 0.9500 . ?
C151 C152 1.386(10) . ?
C152 H152 0.9500 . ?
C152 C153 1.393(9) . ?
C153 H153 0.9500 . ?
C153 C154 1.386(9) . ?
C155 C156 1.388(14) . ?
C155 C160 1.407(14) . ?
C156 H156 0.9500 . ?
C156 C157 1.401(13) . ?
C157 H157 0.9500 . ?
C157 C158 1.36(2) . ?
C158 H158 0.9500 . ?
C158 C159 1.39(2) . ?
C159 H159 0.9500 . ?
C159 C160 1.404(15) . ?
C160 H160 0.9500 . ?
C161 H161 0.9500 . ?
C161 C162 1.354(18) . ?
C161 C166 1.410(18) . ?
C162 H162 0.9500 . ?
C162 C163 1.387(17) . ?
C163 H163 0.9500 . ?
C163 C164 1.374(16) . ?
C164 H164 0.9500 . ?
C164 C165 1.346(15) . ?
C165 H165 0.9500 . ?
C165 C166 1.375(15) . ?
C166 H166 0.9500 . ?
C167 H167 0.9500 . ?
C167 C168 1.3900 . ?
C167 C172 1.3900 . ?
C168 H168 0.9500 . ?
C168 C169 1.3900 . ?
C169 H169 0.9500 . ?
C169 C170 1.3900 . ?
C170 H170 0.9500 . ?
C170 C171 1.3900 . ?
C171 H171 0.9500 . ?
C171 C172 1.3900 . ?
C172 H172 0.9500 . ?
C197 H19A 0.9800 . ?
C197 H19B 0.9800 . ?
C197 H19C 0.9800 . ?
C197 C198 1.48(2) . ?
C198 H19D 0.9900 . ?
C198 H19E 0.9900 . ?
C198 C199 1.481(19) . ?
C199 H19F 0.9900 . ?
C199 H19G 0.9900 . ?
C199 C200 1.52(2) . ?
C200 H20A 0.9900 . ?
C200 H20B 0.9900 . ?
C200 C201 1.53(2) . ?
C201 H20C 0.9900 . ?
C201 H20D 0.9900 . ?
C201 C202 1.49(2) . ?
C202 H20E 0.9800 . ?
C202 H20F 0.9800 . ?
C202 H20G 0.9800 . ?
C176 H176 0.9500 . ?
C176 C177 1.3900 . ?
C176 C175 1.3900 . ?
C177 H177 0.9500 . ?
C177 C178 1.3900 . ?
C178 H178 0.9500 . ?
C178 C173 1.3900 . ?
C173 H173 0.9500 . ?
C173 C174 1.3900 . ?
C174 H174 0.9500 . ?
C174 C175 1.3900 . ?
C175 H175 0.9500 . ?
C191 H191 0.9500 . ?
C191 C192 1.3900 . ?
C191 C196 1.3900 . ?
C192 H192 0.9500 . ?
C192 C193 1.3900 . ?
C193 H193 0.9500 . ?
C193 C194 1.3900 . ?
C194 H194 0.9500 . ?
C194 C195 1.3900 . ?
C195 H195 0.9500 . ?
C195 C196 1.3900 . ?
C196 H196 0.9500 . ?
C181 H181 0.9500 . ?
C181 C182 1.3900 . ?
C181 C180 1.3900 . ?
C182 H182 0.9500 . ?
C182 C183 1.3900 . ?
C183 H183 0.9500 . ?
C183 C184 1.3900 . ?
C184 H184 0.9500 . ?
C184 C179 1.3900 . ?
C179 H179 0.9500 . ?
C179 C180 1.3900 . ?
C180 H180 0.9500 . ?
C190 H190 0.9500 . ?
C190 C189 1.3900 . ?
C190 C185 1.3900 . ?
C189 H189 0.9500 . ?
C189 C188 1.3900 . ?
C188 H188 0.9500 . ?
C188 C187 1.3900 . ?
C187 H187 0.9500 . ?
C187 C186 1.3900 . ?
C186 H186 0.9500 . ?
C186 C185 1.3900 . ?
C185 H185 0.9500 . ?

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 Rh1 Cl2 80.95(4) . . ?
P1 Rh1 Cl1 90.42(5) . . ?
P1 Rh1 Cl2 170.89(5) . . ?
P1 Rh1 P2 92.15(6) . . ?
P2 Rh1 Cl1 174.53(5) . . ?
P2 Rh1 Cl2 96.70(5) . . ?
Cl2 Rh2 Cl1 80.37(4) . . ?
P3 Rh2 Cl1 95.38(5) . . ?
P3 Rh2 Cl2 171.55(5) . . ?
P4 Rh2 Cl1 172.55(5) . . ?
P4 Rh2 Cl2 95.09(5) . . ?
P4 Rh2 P3 89.86(6) . . ?
Rh1 Cl1 Rh2 99.29(5) . . ?
Rh1 Cl2 Rh2 99.31(5) . . ?
O1 P1 Rh1 117.71(16) . . ?
O1 P1 N1 94.7(2) . . ?
O2 P1 Rh1 113.63(15) . . ?
O2 P1 O1 100.8(2) . . ?
O2 P1 N1 108.5(2) . . ?
N1 P1 Rh1 118.70(17) . . ?
O3 P2 Rh1 116.34(15) . . ?
O3 P2 N2 100.6(2) . . ?
O4 P2 Rh1 114.52(16) . . ?
O4 P2 O3 99.2(2) . . ?
O4 P2 N2 106.3(2) . . ?
N2 P2 Rh1 117.44(17) . . ?
O5 P3 Rh2 117.20(16) . . ?
O5 P3 N3 100.9(2) . . ?
O6 P3 Rh2 117.95(15) . . ?
O6 P3 O5 100.0(2) . . ?
O6 P3 N3 105.9(2) . . ?
N3 P3 Rh2 112.71(18) . . ?
O7 P4 Rh2 118.08(15) . . ?
O7 P4 N4 99.9(2) . . ?
O8 P4 Rh2 115.63(16) . . ?
O8 P4 O7 100.4(2) . . ?
O8 P4 N4 107.5(2) . . ?
N4 P4 Rh2 113.41(19) . . ?
C1 O1 P1 117.2(3) . . ?
C20 O2 P1 122.4(3) . . ?
C41 O3 P2 118.7(4) . . ?
C60 O4 P2 123.6(4) . . ?
C81 O5 P3 121.0(4) . . ?
C100 O6 P3 123.2(4) . . ?
C121 O7 P4 120.5(3) . . ?
C140 O8 P4 124.3(4) . . ?
C21 N1 P1 126.4(4) . . ?
C21 N1 C34 112.3(4) . . ?
C34 N1 P1 119.7(4) . . ?
C61 N2 P2 128.3(4) . . ?
C74 N2 P2 119.2(4) . . ?
C74 N2 C61 111.3(4) . . ?
C101 N3 P3 128.1(4) . . ?
C114 N3 P3 118.0(4) . . ?
C114 N3 C101 113.2(5) . . ?
C141 N4 P4 127.5(4) . . ?
C141 N4 C154 116.6(5) . . ?
C154 N4 P4 115.8(4) . . ?
O1 C1 C2 116.2(5) . . ?
C10 C1 O1 119.7(5) . . ?
C10 C1 C2 124.0(6) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 C1 119.0(6) . . ?
C3 C2 H2 120.5 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0(6) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 119.9(7) . . ?
C3 C4 C9 120.3(6) . . ?
C5 C4 C9 119.8(7) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(8) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.1(6) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.4(7) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.2(7) . . ?
C9 C8 H8 119.9 . . ?
C4 C9 C10 119.2(6) . . ?
C8 C9 C4 118.0(6) . . ?
C8 C9 C10 122.8(6) . . ?
C1 C10 C9 117.3(6) . . ?
C1 C10 C11 118.6(5) . . ?
C9 C10 C11 124.0(5) . . ?
C12 C11 C10 121.7(5) . . ?
C20 C11 C10 121.7(6) . . ?
C20 C11 C12 116.6(6) . . ?
C13 C12 C11 121.9(6) . . ?
C17 C12 C11 119.6(6) . . ?
C17 C12 C13 118.5(6) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0(7) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.8(7) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.7(7) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.9(8) . . ?
C17 C16 H16 119.6 . . ?
C12 C17 C16 119.0(6) . . ?
C12 C17 C18 119.8(6) . . ?
C18 C17 C16 121.1(7) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.3(6) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.4 . . ?
C18 C19 C20 119.1(6) . . ?
C20 C19 H19 120.4 . . ?
C11 C20 O2 119.8(6) . . ?
C11 C20 C19 124.3(6) . . ?
C19 C20 O2 115.8(5) . . ?
C22 C21 N1 119.4(5) . . ?
C22 C21 C26 121.5(6) . . ?
C26 C21 N1 119.0(5) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.2(6) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.8(6) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.6(6) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 118.9 . . ?
C24 C25 C26 122.2(6) . . ?
C26 C25 H25 118.9 . . ?
C21 C26 C25 116.8(6) . . ?
C21 C26 C27 123.0(6) . . ?
C25 C26 C27 120.1(6) . . ?
C26 C27 C35 117.1(6) . . ?
C28 C27 C26 124.4(6) . . ?
C28 C27 C35 118.3(6) . . ?
C27 C28 H28 116.5 . . ?
C27 C28 C29 127.0(6) . . ?
C29 C28 H28 116.5 . . ?
C30 C29 C28 118.8(6) . . ?
C34 C29 C28 123.4(6) . . ?
C34 C29 C30 117.6(6) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 C29 121.0(7) . . ?
C31 C30 H30 119.5 . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.6(6) . . ?
C32 C31 H31 119.7 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.7(7) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 120.3 . . ?
C32 C33 C34 119.5(7) . . ?
C34 C33 H33 120.3 . . ?
C29 C34 N1 118.0(6) . . ?
C29 C34 C33 121.5(6) . . ?
C33 C34 N1 120.5(6) . . ?
C36 C35 C27 121.5(7) . . ?
C36 C35 C40 117.6(7) . . ?
C40 C35 C27 120.8(7) . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.3(8) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.6(9) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.6(8) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 120.5 . . ?
C38 C39 C40 119.0(9) . . ?
C40 C39 H39 120.5 . . ?
C35 C40 H40 119.1 . . ?
C39 C40 C35 121.8(9) . . ?
C39 C40 H40 119.1 . . ?
O3 C41 C42 117.5(5) . . ?
C50 C41 O3 119.4(5) . . ?
C50 C41 C42 123.1(5) . . ?
C41 C42 H42 120.3 . . ?
C43 C42 C41 119.5(6) . . ?
C43 C42 H42 120.3 . . ?
C42 C43 H43 119.7 . . ?
C42 C43 C44 120.6(6) . . ?
C44 C43 H43 119.7 . . ?
C43 C44 C45 121.0(6) . . ?
C43 C44 C49 119.5(5) . . ?
C49 C44 C45 119.5(6) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 C44 120.4(7) . . ?
C46 C45 H45 119.8 . . ?
C45 C46 H46 120.1 . . ?
C45 C46 C47 119.8(6) . . ?
C47 C46 H46 120.1 . . ?
C46 C47 H47 119.4 . . ?
C48 C47 C46 121.2(7) . . ?
C48 C47 H47 119.4 . . ?
C47 C48 H48 119.5 . . ?
C47 C48 C49 121.0(6) . . ?
C49 C48 H48 119.5 . . ?
C44 C49 C50 119.5(6) . . ?
C48 C49 C44 118.0(6) . . ?
C48 C49 C50 122.3(6) . . ?
C41 C50 C49 117.7(5) . . ?
C41 C50 C51 119.8(5) . . ?
C49 C50 C51 122.3(5) . . ?
C52 C51 C50 123.1(5) . . ?
C60 C51 C50 119.7(5) . . ?
C60 C51 C52 117.2(6) . . ?
C53 C52 C51 122.1(6) . . ?
C53 C52 C57 118.0(6) . . ?
C57 C52 C51 119.9(6) . . ?
C52 C53 H53 119.6 . . ?
C54 C53 C52 120.8(8) . . ?
C54 C53 H53 119.6 . . ?
C53 C54 H54 119.6 . . ?
C53 C54 C55 120.8(8) . . ?
C55 C54 H54 119.6 . . ?
C54 C55 H55 119.8 . . ?
C56 C55 C54 120.4(7) . . ?
C56 C55 H55 119.8 . . ?
C55 C56 H56 119.9 . . ?
C55 C56 C57 120.2(8) . . ?
C57 C56 H56 119.9 . . ?
C52 C57 C58 118.9(6) . . ?
C56 C57 C52 119.8(7) . . ?
C56 C57 C58 121.3(7) . . ?
C57 C58 H58 119.5 . . ?
C59 C58 C57 121.0(6) . . ?
C59 C58 H58 119.5 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 119.9(7) . . ?
C60 C59 H59 120.0 . . ?
O4 C60 C59 115.7(5) . . ?
C51 C60 O4 121.7(5) . . ?
C51 C60 C59 122.6(6) . . ?
C62 C61 N2 118.4(5) . . ?
C62 C61 C66 121.4(5) . . ?
C66 C61 N2 120.1(5) . . ?
C61 C62 H62 120.0 . . ?
C63 C62 C61 119.9(6) . . ?
C63 C62 H62 120.0 . . ?
C62 C63 H63 120.1 . . ?
C64 C63 C62 119.7(6) . . ?
C64 C63 H63 120.1 . . ?
C63 C64 H64 119.9 . . ?
C63 C64 C65 120.3(6) . . ?
C65 C64 H64 119.9 . . ?
C64 C65 H65 119.4 . . ?
C64 C65 C66 121.1(6) . . ?
C66 C65 H65 119.4 . . ?
C61 C66 C65 117.5(5) . . ?
C61 C66 C67 123.0(5) . . ?
C65 C66 C67 119.3(5) . . ?
C68 C67 C66 122.2(5) . . ?
C68 C67 C75 117.9(5) . . ?
C75 C67 C66 119.7(5) . . ?
C67 C68 H68 116.0 . . ?
C67 C68 C69 128.1(6) . . ?
C69 C68 H68 116.0 . . ?
C70 C69 C68 118.4(5) . . ?
C74 C69 C68 122.4(5) . . ?
C74 C69 C70 119.2(6) . . ?
C69 C70 H70 119.7 . . ?
C71 C70 C69 120.6(6) . . ?
C71 C70 H70 119.7 . . ?
C70 C71 H71 120.0 . . ?
C70 C71 C72 119.9(5) . . ?
C72 C71 H71 120.0 . . ?
C71 C72 H72 119.9 . . ?
C73 C72 C71 120.2(6) . . ?
C73 C72 H72 119.9 . . ?
C72 C73 H73 120.2 . . ?
C72 C73 C74 119.6(5) . . ?
C74 C73 H73 120.2 . . ?
C69 C74 N2 119.5(5) . . ?
C69 C74 C73 120.3(5) . . ?
C73 C74 N2 120.2(5) . . ?
C76 C75 C67 122.0(6) . . ?
C80 C75 C67 120.9(6) . . ?
C80 C75 C76 117.1(6) . . ?
C75 C76 H76 119.2 . . ?
C77 C76 C75 121.6(6) . . ?
C77 C76 H76 119.2 . . ?
C76 C77 H77 120.1 . . ?
C76 C77 C78 119.7(7) . . ?
C78 C77 H77 120.1 . . ?
C77 C78 H78 120.2 . . ?
C79 C78 C77 119.7(6) . . ?
C79 C78 H78 120.2 . . ?
C78 C79 H79 119.9 . . ?
C78 C79 C80 120.3(7) . . ?
C80 C79 H79 119.9 . . ?
C75 C80 H80 119.2 . . ?
C79 C80 C75 121.6(7) . . ?
C79 C80 H80 119.2 . . ?
O5 C81 C82 117.5(5) . . ?
C90 C81 O5 119.7(6) . . ?
C90 C81 C82 122.7(6) . . ?
C81 C82 H82 120.3 . . ?
C83 C82 C81 119.4(6) . . ?
C83 C82 H82 120.3 . . ?
C82 C83 H83 119.9 . . ?
C82 C83 C84 120.2(7) . . ?
C84 C83 H83 119.9 . . ?
C83 C84 C85 121.1(7) . . ?
C83 C84 C89 120.6(6) . . ?
C89 C84 C85 118.3(7) . . ?
C84 C85 H85 119.8 . . ?
C86 C85 C84 120.5(7) . . ?
C86 C85 H85 119.8 . . ?
C85 C86 H86 119.9 . . ?
C85 C86 C87 120.2(7) . . ?
C87 C86 H86 119.9 . . ?
C86 C87 H87 119.4 . . ?
C88 C87 C86 121.1(7) . . ?
C88 C87 H87 119.4 . . ?
C87 C88 H88 119.9 . . ?
C87 C88 C89 120.3(7) . . ?
C89 C88 H88 119.9 . . ?
C84 C89 C90 117.8(6) . . ?
C88 C89 C84 119.6(6) . . ?
C88 C89 C90 122.6(6) . . ?
C81 C90 C89 118.5(6) . . ?
C81 C90 C91 119.9(6) . . ?
C89 C90 C91 121.6(5) . . ?
C92 C91 C90 120.6(6) . . ?
C100 C91 C90 121.1(5) . . ?
C100 C91 C92 118.2(6) . . ?
C93 C92 C91 122.6(6) . . ?
C93 C92 C97 118.4(6) . . ?
C97 C92 C91 118.9(6) . . ?
C92 C93 H93 119.5 . . ?
C94 C93 C92 121.0(7) . . ?
C94 C93 H93 119.5 . . ?
C93 C94 H94 120.0 . . ?
C93 C94 C95 120.1(7) . . ?
C95 C94 H94 120.0 . . ?
C94 C95 H95 119.8 . . ?
C96 C95 C94 120.5(6) . . ?
C96 C95 H95 119.8 . . ?
C95 C96 H96 119.2 . . ?
C95 C96 C97 121.6(7) . . ?
C97 C96 H96 119.2 . . ?
C96 C97 C92 118.5(7) . . ?
C98 C97 C92 119.0(6) . . ?
C98 C97 C96 122.5(7) . . ?
C97 C98 H98 119.3 . . ?
C99 C98 C97 121.3(6) . . ?
C99 C98 H98 119.3 . . ?
C98 C99 H99 120.5 . . ?
C98 C99 C100 119.0(6) . . ?
C100 C99 H99 120.5 . . ?
C91 C100 O6 119.9(5) . . ?
C91 C100 C99 122.9(6) . . ?
C99 C100 O6 117.2(6) . . ?
C102 C101 N3 118.6(6) . . ?
C102 C101 C106 121.2(6) . . ?
C106 C101 N3 120.2(6) . . ?
C101 C102 H102 119.4 . . ?
C103 C102 C101 121.2(9) . . ?
C103 C102 H102 119.4 . . ?
C102 C103 H103 120.6 . . ?
C102 C103 C104 118.8(9) . . ?
C104 C103 H103 120.6 . . ?
C103 C104 H104 119.7 . . ?
C105 C104 C103 120.5(7) . . ?
C105 C104 H104 119.7 . . ?
C104 C105 H105 118.9 . . ?
C104 C105 C106 122.2(9) . . ?
C106 C105 H105 118.9 . . ?
C101 C106 C107 123.9(6) . . ?
C105 C106 C101 116.1(8) . . ?
C105 C106 C107 119.9(7) . . ?
C106 C107 C115 119.6(6) . . ?
C108 C107 C106 121.9(7) . . ?
C108 C107 C115 118.4(8) . . ?
C107 C108 H108 115.5 . . ?
C107 C108 C109 129.0(7) . . ?
C109 C108 H108 115.5 . . ?
C110 C109 C108 118.6(6) . . ?
C114 C109 C108 123.3(6) . . ?
C114 C109 C110 118.1(6) . . ?
C109 C110 H110 119.6 . . ?
C111 C110 C109 120.7(6) . . ?
C111 C110 H110 119.6 . . ?
C110 C111 H111 119.7 . . ?
C110 C111 C112 120.5(6) . . ?
C112 C111 H111 119.7 . . ?
C111 C112 H112 120.4 . . ?
C113 C112 C111 119.1(6) . . ?
C113 C112 H112 120.4 . . ?
C112 C113 H113 119.4 . . ?
C112 C113 C114 121.2(6) . . ?
C114 C113 H113 119.4 . . ?
C109 C114 N3 119.5(5) . . ?
C113 C114 N3 120.1(6) . . ?
C113 C114 C109 120.3(5) . . ?
C116 C115 C107 122.0(8) . . ?
C116 C115 C120 116.4(8) . . ?
C120 C115 C107 121.6(7) . . ?
C115 C116 H116 119.1 . . ?
C117 C116 C115 121.8(9) . . ?
C117 C116 H116 119.1 . . ?
C116 C117 H117 119.9 . . ?
C118 C117 C116 120.2(9) . . ?
C118 C117 H117 119.9 . . ?
C117 C118 H118 120.0 . . ?
C117 C118 C119 120.0(11) . . ?
C119 C118 H118 120.0 . . ?
C118 C119 H119 119.9 . . ?
C118 C119 C120 120.1(11) . . ?
C120 C119 H119 119.9 . . ?
C115 C120 H120 119.3 . . ?
C119 C120 C115 121.3(9) . . ?
C119 C120 H120 119.3 . . ?
O7 C121 C122 117.0(5) . . ?
C130 C121 O7 120.1(5) . . ?
C130 C121 C122 122.5(6) . . ?
C121 C122 H122 120.6 . . ?
C123 C122 C121 118.8(6) . . ?
C123 C122 H122 120.6 . . ?
C122 C123 H123 119.6 . . ?
C122 C123 C124 120.8(6) . . ?
C124 C123 H123 119.6 . . ?
C123 C124 C125 121.3(6) . . ?
C123 C124 C129 119.7(6) . . ?
C125 C124 C129 118.9(6) . . ?
C124 C125 H125 119.6 . . ?
C126 C125 C124 120.7(7) . . ?
C126 C125 H125 119.6 . . ?
C125 C126 H126 119.7 . . ?
C125 C126 C127 120.6(6) . . ?
C127 C126 H126 119.7 . . ?
C126 C127 H127 120.0 . . ?
C128 C127 C126 120.1(7) . . ?
C128 C127 H127 120.0 . . ?
C127 C128 H128 119.4 . . ?
C127 C128 C129 121.1(6) . . ?
C129 C128 H128 119.4 . . ?
C124 C129 C130 118.7(6) . . ?
C128 C129 C124 118.4(6) . . ?
C128 C129 C130 122.8(6) . . ?
C121 C130 C129 118.4(5) . . ?
C121 C130 C131 120.4(5) . . ?
C129 C130 C131 121.1(5) . . ?
C132 C131 C130 121.2(5) . . ?
C140 C131 C130 120.9(5) . . ?
C140 C131 C132 117.8(6) . . ?
C133 C132 C131 123.1(6) . . ?
C133 C132 C137 117.9(6) . . ?
C137 C132 C131 118.9(6) . . ?
C132 C133 H133 119.3 . . ?
C134 C133 C132 121.3(7) . . ?
C134 C133 H133 119.3 . . ?
C133 C134 H134 119.8 . . ?
C133 C134 C135 120.4(7) . . ?
C135 C134 H134 119.8 . . ?
C134 C135 H135 120.1 . . ?
C136 C135 C134 119.8(7) . . ?
C136 C135 H135 120.1 . . ?
C135 C136 H136 119.4 . . ?
C135 C136 C137 121.2(8) . . ?
C137 C136 H136 119.4 . . ?
C132 C137 C136 119.3(7) . . ?
C132 C137 C138 120.1(6) . . ?
C136 C137 C138 120.6(7) . . ?
C137 C138 H138 120.1 . . ?
C139 C138 C137 119.8(6) . . ?
C139 C138 H138 120.1 . . ?
C138 C139 H139 120.1 . . ?
C138 C139 C140 119.7(6) . . ?
C140 C139 H139 120.1 . . ?
C131 C140 O8 120.0(5) . . ?
C131 C140 C139 123.0(6) . . ?
C139 C140 O8 116.9(5) . . ?
C142 C141 N4 118.6(6) . . ?
C142 C141 C146 120.4(6) . . ?
C146 C141 N4 121.0(6) . . ?
C141 C142 H142 119.8 . . ?
C143 C142 C141 120.5(7) . . ?
C143 C142 H142 119.8 . . ?
C142 C143 H143 120.1 . . ?
C144 C143 C142 119.7(7) . . ?
C144 C143 H143 120.1 . . ?
C143 C144 H144 120.1 . . ?
C143 C144 C145 119.9(7) . . ?
C145 C144 H144 120.1 . . ?
C144 C145 H145 119.0 . . ?
C144 C145 C146 121.9(7) . . ?
C146 C145 H145 119.0 . . ?
C141 C146 C147 123.1(6) . . ?
C145 C146 C141 117.5(6) . . ?
C145 C146 C147 119.3(6) . . ?
C146 C147 C155 117.7(6) . . ?
C148 C147 C146 125.0(6) . . ?
C148 C147 C155 117.1(7) . . ?
C147 C148 H148 114.9 . . ?
C147 C148 C149 130.3(6) . . ?
C149 C148 H148 114.9 . . ?
C150 C149 C148 119.0(6) . . ?
C154 C149 C148 123.2(6) . . ?
C154 C149 C150 117.8(6) . . ?
C149 C150 H150 119.2 . . ?
C151 C150 C149 121.5(6) . . ?
C151 C150 H150 119.2 . . ?
C150 C151 H151 120.1 . . ?
C150 C151 C152 119.8(6) . . ?
C152 C151 H151 120.1 . . ?
C151 C152 H152 120.3 . . ?
C151 C152 C153 119.4(6) . . ?
C153 C152 H152 120.3 . . ?
C152 C153 H153 119.8 . . ?
C154 C153 C152 120.3(6) . . ?
C154 C153 H153 119.8 . . ?
C149 C154 N4 119.5(5) . . ?
C153 C154 N4 119.6(5) . . ?
C153 C154 C149 120.8(6) . . ?
C156 C155 C147 122.3(8) . . ?
C156 C155 C160 118.8(8) . . ?
C160 C155 C147 118.9(9) . . ?
C155 C156 H156 120.0 . . ?
C155 C156 C157 120.0(11) . . ?
C157 C156 H156 120.0 . . ?
C156 C157 H157 119.4 . . ?
C158 C157 C156 121.2(13) . . ?
C158 C157 H157 119.4 . . ?
C157 C158 H158 120.0 . . ?
C157 C158 C159 120.0(10) . . ?
C159 C158 H158 120.0 . . ?
C158 C159 H159 120.1 . . ?
C158 C159 C160 119.7(13) . . ?
C160 C159 H159 120.1 . . ?
C155 C160 H160 120.0 . . ?
C159 C160 C155 120.1(13) . . ?
C159 C160 H160 120.0 . . ?
C162 C161 H161 119.6 . . ?
C162 C161 C166 120.8(11) . . ?
C166 C161 H161 119.6 . . ?
C161 C162 H162 120.1 . . ?
C161 C162 C163 119.8(11) . . ?
C163 C162 H162 120.1 . . ?
C162 C163 H163 120.2 . . ?
C164 C163 C162 119.6(11) . . ?
C164 C163 H163 120.2 . . ?
C163 C164 H164 119.8 . . ?
C165 C164 C163 120.3(10) . . ?
C165 C164 H164 119.8 . . ?
C164 C165 H165 119.1 . . ?
C164 C165 C166 121.8(11) . . ?
C166 C165 H165 119.1 . . ?
C161 C166 H166 121.2 . . ?
C165 C166 C161 117.6(11) . . ?
C165 C166 H166 121.2 . . ?
C168 C167 H167 120.0 . . ?
C168 C167 C172 120.0 . . ?
C172 C167 H167 120.0 . . ?
C167 C168 H168 120.0 . . ?
C167 C168 C169 120.0 . . ?
C169 C168 H168 120.0 . . ?
C168 C169 H169 120.0 . . ?
C170 C169 C168 120.0 . . ?
C170 C169 H169 120.0 . . ?
C169 C170 H170 120.0 . . ?
C169 C170 C171 120.0 . . ?
C171 C170 H170 120.0 . . ?
C170 C171 H171 120.0 . . ?
C172 C171 C170 120.0 . . ?
C172 C171 H171 120.0 . . ?
C167 C172 H172 120.0 . . ?
C171 C172 C167 120.0 . . ?
C171 C172 H172 120.0 . . ?
H19A C197 H19B 109.5 . . ?
H19A C197 H19C 109.5 . . ?
H19B C197 H19C 109.5 . . ?
C198 C197 H19A 109.5 . . ?
C198 C197 H19B 109.5 . . ?
C198 C197 H19C 109.5 . . ?
C197 C198 H19D 108.3 . . ?
C197 C198 H19E 108.3 . . ?
H19D C198 H19E 107.4 . . ?
C199 C198 C197 116.1(12) . . ?
C199 C198 H19D 108.3 . . ?
C199 C198 H19E 108.3 . . ?
C198 C199 H19F 108.1 . . ?
C198 C199 H19G 108.1 . . ?
C198 C199 C200 116.9(12) . . ?
H19F C199 H19G 107.3 . . ?
C200 C199 H19F 108.1 . . ?
C200 C199 H19G 108.1 . . ?
C199 C200 H20A 107.4 . . ?
C199 C200 H20B 107.4 . . ?
C199 C200 C201 119.5(12) . . ?
H20A C200 H20B 107.0 . . ?
C201 C200 H20A 107.4 . . ?
C201 C200 H20B 107.4 . . ?
C200 C201 H20C 108.0 . . ?
C200 C201 H20D 108.0 . . ?
H20C C201 H20D 107.3 . . ?
C202 C201 C200 117.0(13) . . ?
C202 C201 H20C 108.0 . . ?
C202 C201 H20D 108.0 . . ?
C201 C202 H20E 109.5 . . ?
C201 C202 H20F 109.5 . . ?
C201 C202 H20G 109.5 . . ?
H20E C202 H20F 109.5 . . ?
H20E C202 H20G 109.5 . . ?
H20F C202 H20G 109.5 . . ?
C177 C176 H176 120.0 . . ?
C177 C176 C175 120.0 . . ?
C175 C176 H176 120.0 . . ?
C176 C177 H177 120.0 . . ?
C178 C177 C176 120.0 . . ?
C178 C177 H177 120.0 . . ?
C177 C178 H178 120.0 . . ?
C173 C178 C177 120.0 . . ?
C173 C178 H178 120.0 . . ?
C178 C173 H173 120.0 . . ?
C178 C173 C174 120.0 . . ?
C174 C173 H173 120.0 . . ?
C173 C174 H174 120.0 . . ?
C175 C174 C173 120.0 . . ?
C175 C174 H174 120.0 . . ?
C176 C175 H175 120.0 . . ?
C174 C175 C176 120.0 . . ?
C174 C175 H175 120.0 . . ?
C192 C191 H191 120.0 . . ?
C192 C191 C196 120.0 . . ?
C196 C191 H191 120.0 . . ?
C191 C192 H192 120.0 . . ?
C193 C192 C191 120.0 . . ?
C193 C192 H192 120.0 . . ?
C192 C193 H193 120.0 . . ?
C194 C193 C192 120.0 . . ?
C194 C193 H193 120.0 . . ?
C193 C194 H194 120.0 . . ?
C193 C194 C195 120.0 . . ?
C195 C194 H194 120.0 . . ?
C194 C195 H195 120.0 . . ?
C196 C195 C194 120.0 . . ?
C196 C195 H195 120.0 . . ?
C191 C196 H196 120.0 . . ?
C195 C196 C191 120.0 . . ?
C195 C196 H196 120.0 . . ?
C182 C181 H181 120.0 . . ?
C182 C181 C180 120.0 . . ?
C180 C181 H181 120.0 . . ?
C181 C182 H182 120.0 . . ?
C181 C182 C183 120.0 . . ?
C183 C182 H182 120.0 . . ?
C182 C183 H183 120.0 . . ?
C184 C183 C182 120.0 . . ?
C184 C183 H183 120.0 . . ?
C183 C184 H184 120.0 . . ?
C179 C184 C183 120.0 . . ?
C179 C184 H184 120.0 . . ?
C184 C179 H179 120.0 . . ?
C184 C179 C180 120.0 . . ?
C180 C179 H179 120.0 . . ?
C181 C180 H180 120.0 . . ?
C179 C180 C181 120.0 . . ?
C179 C180 H180 120.0 . . ?
C189 C190 H190 120.0 . . ?
C189 C190 C185 120.0 . . ?
C185 C190 H190 120.0 . . ?
C190 C189 H189 120.0 . . ?
C188 C189 C190 120.0 . . ?
C188 C189 H189 120.0 . . ?
C189 C188 H188 120.0 . . ?
C187 C188 C189 120.0 . . ?
C187 C188 H188 120.0 . . ?
C188 C187 H187 120.0 . . ?
C188 C187 C186 120.0 . . ?
C186 C187 H187 120.0 . . ?
C187 C186 H186 120.0 . . ?
C185 C186 C187 120.0 . . ?
C185 C186 H186 120.0 . . ?
C190 C185 H185 120.0 . . ?
C186 C185 C190 120.0 . . ?
C186 C185 H185 120.0 . . ?

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
Rh1 P1 O1 C1 70.3(4) . . . . ?
Rh1 P1 O2 C20 -163.7(4) . . . . ?
Rh1 P1 N1 C21 117.6(4) . . . . ?
Rh1 P1 N1 C34 -46.5(5) . . . . ?
Rh1 P2 O3 C41 73.6(4) . . . . ?
Rh1 P2 O4 C60 -165.3(4) . . . . ?
Rh1 P2 N2 C61 -173.4(4) . . . . ?
Rh1 P2 N2 C74 20.3(5) . . . . ?
Rh2 P3 O5 C81 79.7(4) . . . . ?
Rh2 P3 O6 C100 -168.9(4) . . . . ?
Rh2 P3 N3 C101 176.1(5) . . . . ?
Rh2 P3 N3 C114 6.5(5) . . . . ?
Rh2 P4 O7 C121 78.0(4) . . . . ?
Rh2 P4 O8 C140 -169.2(4) . . . . ?
Rh2 P4 N4 C141 -176.6(4) . . . . ?
Rh2 P4 N4 C154 6.6(5) . . . . ?
P1 O1 C1 C2 -103.8(5) . . . . ?
P1 O1 C1 C10 78.5(6) . . . . ?
P1 O2 C20 C11 68.9(7) . . . . ?
P1 O2 C20 C19 -114.1(5) . . . . ?
P1 N1 C21 C22 -57.3(7) . . . . ?
P1 N1 C21 C26 127.2(5) . . . . ?
P1 N1 C34 C29 -120.2(5) . . . . ?
P1 N1 C34 C33 61.4(7) . . . . ?
P2 O3 C41 C42 -103.5(5) . . . . ?
P2 O3 C41 C50 78.6(6) . . . . ?
P2 O4 C60 C51 68.4(7) . . . . ?
P2 O4 C60 C59 -115.4(5) . . . . ?
P2 N2 C61 C62 -59.9(7) . . . . ?
P2 N2 C61 C66 123.6(5) . . . . ?
P2 N2 C74 C69 -122.3(5) . . . . ?
P2 N2 C74 C73 58.3(6) . . . . ?
P3 O5 C81 C82 -111.6(5) . . . . ?
P3 O5 C81 C90 72.1(6) . . . . ?
P3 O6 C100 C91 69.4(7) . . . . ?
P3 O6 C100 C99 -112.2(6) . . . . ?
P3 N3 C101 C102 -59.0(9) . . . . ?
P3 N3 C101 C106 122.8(6) . . . . ?
P3 N3 C114 C109 -122.1(5) . . . . ?
P3 N3 C114 C113 53.9(7) . . . . ?
P4 O7 C121 C122 -114.1(5) . . . . ?
P4 O7 C121 C130 72.9(6) . . . . ?
P4 O8 C140 C131 69.0(7) . . . . ?
P4 O8 C140 C139 -114.2(5) . . . . ?
P4 N4 C141 C142 -63.9(8) . . . . ?
P4 N4 C141 C146 118.7(6) . . . . ?
P4 N4 C154 C149 -115.3(5) . . . . ?
P4 N4 C154 C153 60.4(6) . . . . ?
O1 P1 O2 C20 -36.8(5) . . . . ?
O1 P1 N1 C21 -7.6(5) . . . . ?
O1 P1 N1 C34 -171.7(4) . . . . ?
O1 C1 C2 C3 178.5(5) . . . . ?
O1 C1 C10 C9 -177.2(5) . . . . ?
O1 C1 C10 C11 -0.1(8) . . . . ?
O2 P1 O1 C1 -53.9(4) . . . . ?
O2 P1 N1 C21 -110.7(5) . . . . ?
O2 P1 N1 C34 85.3(5) . . . . ?
O3 P2 O4 C60 -40.7(4) . . . . ?
O3 P2 N2 C61 59.3(5) . . . . ?
O3 P2 N2 C74 -107.0(4) . . . . ?
O3 C41 C42 C43 179.6(5) . . . . ?
O3 C41 C50 C49 -177.8(5) . . . . ?
O3 C41 C50 C51 -2.4(8) . . . . ?
O4 P2 O3 C41 -49.8(4) . . . . ?
O4 P2 N2 C61 -43.7(5) . . . . ?
O4 P2 N2 C74 150.0(4) . . . . ?
O5 P3 O6 C100 -40.6(5) . . . . ?
O5 P3 N3 C101 50.3(6) . . . . ?
O5 P3 N3 C114 -119.3(4) . . . . ?
O5 C81 C82 C83 -178.7(6) . . . . ?
O5 C81 C90 C89 -174.4(5) . . . . ?
O5 C81 C90 C91 5.0(8) . . . . ?
O6 P3 O5 C81 -49.1(4) . . . . ?
O6 P3 N3 C101 -53.6(6) . . . . ?
O6 P3 N3 C114 136.9(4) . . . . ?
O7 P4 O8 C140 -41.0(5) . . . . ?
O7 P4 N4 C141 56.8(5) . . . . ?
O7 P4 N4 C154 -119.9(4) . . . . ?
O7 C121 C122 C123 -176.6(5) . . . . ?
O7 C121 C130 C129 -176.4(5) . . . . ?
O7 C121 C130 C131 2.2(8) . . . . ?
O8 P4 O7 C121 -48.6(4) . . . . ?
O8 P4 N4 C141 -47.5(5) . . . . ?
O8 P4 N4 C154 135.8(4) . . . . ?
N1 P1 O1 C1 -163.8(4) . . . . ?
N1 P1 O2 C20 61.9(5) . . . . ?
N1 C21 C22 C23 -176.2(5) . . . . ?
N1 C21 C26 C25 175.7(5) . . . . ?
N1 C21 C26 C27 -0.1(9) . . . . ?
N2 P2 O3 C41 -158.4(4) . . . . ?
N2 P2 O4 C60 63.3(5) . . . . ?
N2 C61 C62 C63 -176.9(5) . . . . ?
N2 C61 C66 C65 176.5(5) . . . . ?
N2 C61 C66 C67 1.7(8) . . . . ?
N3 P3 O5 C81 -157.5(4) . . . . ?
N3 P3 O6 C100 63.9(5) . . . . ?
N3 C101 C102 C103 -179.8(7) . . . . ?
N3 C101 C106 C105 178.7(6) . . . . ?
N3 C101 C106 C107 1.2(10) . . . . ?
N4 P4 O7 C121 -158.6(4) . . . . ?
N4 P4 O8 C140 63.0(5) . . . . ?
N4 C141 C142 C143 179.2(6) . . . . ?
N4 C141 C146 C145 -179.7(6) . . . . ?
N4 C141 C146 C147 3.2(9) . . . . ?
C1 C2 C3 C4 -1.4(10) . . . . ?
C1 C10 C11 C12 129.4(6) . . . . ?
C1 C10 C11 C20 -50.3(8) . . . . ?
C2 C1 C10 C9 5.2(9) . . . . ?
C2 C1 C10 C11 -177.7(6) . . . . ?
C2 C3 C4 C5 -175.3(6) . . . . ?
C2 C3 C4 C9 4.8(10) . . . . ?
C3 C4 C5 C6 -178.5(6) . . . . ?
C3 C4 C9 C8 179.9(6) . . . . ?
C3 C4 C9 C10 -3.2(9) . . . . ?
C4 C5 C6 C7 -1.4(10) . . . . ?
C4 C9 C10 C1 -1.6(8) . . . . ?
C4 C9 C10 C11 -178.5(5) . . . . ?
C5 C4 C9 C8 0.0(9) . . . . ?
C5 C4 C9 C10 176.8(6) . . . . ?
C5 C6 C7 C8 0.0(11) . . . . ?
C6 C7 C8 C9 1.3(10) . . . . ?
C7 C8 C9 C4 -1.3(9) . . . . ?
C7 C8 C9 C10 -178.1(6) . . . . ?
C8 C9 C10 C1 175.1(6) . . . . ?
C8 C9 C10 C11 -1.8(9) . . . . ?
C9 C4 C5 C6 1.4(10) . . . . ?
C9 C10 C11 C12 -53.7(8) . . . . ?
C9 C10 C11 C20 126.6(6) . . . . ?
C10 C1 C2 C3 -3.8(9) . . . . ?
C10 C11 C12 C13 -7.6(9) . . . . ?
C10 C11 C12 C17 174.6(6) . . . . ?
C10 C11 C20 O2 1.0(8) . . . . ?
C10 C11 C20 C19 -175.7(5) . . . . ?
C11 C12 C13 C14 179.8(6) . . . . ?
C11 C12 C17 C16 -179.9(6) . . . . ?
C11 C12 C17 C18 2.8(9) . . . . ?
C12 C11 C20 O2 -178.7(5) . . . . ?
C12 C11 C20 C19 4.6(9) . . . . ?
C12 C13 C14 C15 0.9(11) . . . . ?
C12 C17 C18 C19 1.5(10) . . . . ?
C13 C12 C17 C16 2.3(9) . . . . ?
C13 C12 C17 C18 -175.0(6) . . . . ?
C13 C14 C15 C16 0.9(12) . . . . ?
C14 C15 C16 C17 -1.0(13) . . . . ?
C15 C16 C17 C12 -0.6(11) . . . . ?
C15 C16 C17 C18 176.7(7) . . . . ?
C16 C17 C18 C19 -175.7(7) . . . . ?
C17 C12 C13 C14 -2.4(9) . . . . ?
C17 C18 C19 C20 -2.8(10) . . . . ?
C18 C19 C20 O2 -177.2(5) . . . . ?
C18 C19 C20 C11 -0.4(9) . . . . ?
C20 C11 C12 C13 172.1(6) . . . . ?
C20 C11 C12 C17 -5.7(8) . . . . ?
C21 N1 C34 C29 73.6(7) . . . . ?
C21 N1 C34 C33 -104.8(6) . . . . ?
C21 C22 C23 C24 1.5(9) . . . . ?
C21 C26 C27 C28 34.8(10) . . . . ?
C21 C26 C27 C35 -150.3(6) . . . . ?
C22 C21 C26 C25 0.2(9) . . . . ?
C22 C21 C26 C27 -175.6(6) . . . . ?
C22 C23 C24 C25 -1.8(10) . . . . ?
C23 C24 C25 C26 1.3(10) . . . . ?
C24 C25 C26 C21 -0.5(10) . . . . ?
C24 C25 C26 C27 175.4(6) . . . . ?
C25 C26 C27 C28 -140.9(7) . . . . ?
C25 C26 C27 C35 34.0(9) . . . . ?
C26 C21 C22 C23 -0.8(9) . . . . ?
C26 C27 C28 C29 3.5(11) . . . . ?
C26 C27 C35 C36 52.3(9) . . . . ?
C26 C27 C35 C40 -129.9(8) . . . . ?
C27 C28 C29 C30 138.9(7) . . . . ?
C27 C28 C29 C34 -35.3(10) . . . . ?
C27 C35 C36 C37 174.3(7) . . . . ?
C27 C35 C40 C39 -174.4(8) . . . . ?
C28 C27 C35 C36 -132.5(8) . . . . ?
C28 C27 C35 C40 45.3(10) . . . . ?
C28 C29 C30 C31 -171.2(6) . . . . ?
C28 C29 C34 N1 -8.3(9) . . . . ?
C28 C29 C34 C33 170.1(6) . . . . ?
C29 C30 C31 C32 -0.2(11) . . . . ?
C30 C29 C34 N1 177.4(5) . . . . ?
C30 C29 C34 C33 -4.2(9) . . . . ?
C30 C31 C32 C33 -2.1(10) . . . . ?
C31 C32 C33 C34 1.3(10) . . . . ?
C32 C33 C34 N1 -179.7(5) . . . . ?
C32 C33 C34 C29 1.9(9) . . . . ?
C34 N1 C21 C22 107.8(6) . . . . ?
C34 N1 C21 C26 -67.8(7) . . . . ?
C34 C29 C30 C31 3.3(10) . . . . ?
C35 C27 C28 C29 -171.3(6) . . . . ?
C35 C36 C37 C38 1.3(13) . . . . ?
C36 C35 C40 C39 3.5(13) . . . . ?
C36 C37 C38 C39 1.2(14) . . . . ?
C37 C38 C39 C40 -1.4(15) . . . . ?
C38 C39 C40 C35 -1.0(15) . . . . ?
C40 C35 C36 C37 -3.5(11) . . . . ?
C41 C42 C43 C44 -1.0(9) . . . . ?
C41 C50 C51 C52 130.2(6) . . . . ?
C41 C50 C51 C60 -50.5(8) . . . . ?
C42 C41 C50 C49 4.4(8) . . . . ?
C42 C41 C50 C51 179.8(5) . . . . ?
C42 C43 C44 C45 -174.7(6) . . . . ?
C42 C43 C44 C49 2.4(9) . . . . ?
C43 C44 C45 C46 176.0(6) . . . . ?
C43 C44 C49 C48 -176.2(6) . . . . ?
C43 C44 C49 C50 -0.5(9) . . . . ?
C44 C45 C46 C47 0.6(10) . . . . ?
C44 C49 C50 C41 -2.8(8) . . . . ?
C44 C49 C50 C51 -178.1(5) . . . . ?
C45 C44 C49 C48 1.0(9) . . . . ?
C45 C44 C49 C50 176.7(6) . . . . ?
C45 C46 C47 C48 0.1(11) . . . . ?
C46 C47 C48 C49 -0.2(11) . . . . ?
C47 C48 C49 C44 -0.3(9) . . . . ?
C47 C48 C49 C50 -175.9(6) . . . . ?
C48 C49 C50 C41 172.7(6) . . . . ?
C48 C49 C50 C51 -2.5(9) . . . . ?
C49 C44 C45 C46 -1.1(9) . . . . ?
C49 C50 C51 C52 -54.6(8) . . . . ?
C49 C50 C51 C60 124.7(6) . . . . ?
C50 C41 C42 C43 -2.5(9) . . . . ?
C50 C51 C52 C53 -7.9(10) . . . . ?
C50 C51 C52 C57 172.3(6) . . . . ?
C50 C51 C60 O4 4.9(9) . . . . ?
C50 C51 C60 C59 -171.1(6) . . . . ?
C51 C52 C53 C54 179.6(7) . . . . ?
C51 C52 C57 C56 -178.3(7) . . . . ?
C51 C52 C57 C58 1.4(10) . . . . ?
C52 C51 C60 O4 -175.8(5) . . . . ?
C52 C51 C60 C59 8.2(9) . . . . ?
C52 C53 C54 C55 -0.9(13) . . . . ?
C52 C57 C58 C59 3.4(11) . . . . ?
C53 C52 C57 C56 1.9(10) . . . . ?
C53 C52 C57 C58 -178.4(7) . . . . ?
C53 C54 C55 C56 1.2(14) . . . . ?
C54 C55 C56 C57 0.1(14) . . . . ?
C55 C56 C57 C52 -1.7(12) . . . . ?
C55 C56 C57 C58 178.6(8) . . . . ?
C56 C57 C58 C59 -176.9(7) . . . . ?
C57 C52 C53 C54 -0.7(11) . . . . ?
C57 C58 C59 C60 -2.5(10) . . . . ?
C58 C59 C60 O4 -179.9(6) . . . . ?
C58 C59 C60 C51 -3.6(10) . . . . ?
C60 C51 C52 C53 172.8(6) . . . . ?
C60 C51 C52 C57 -7.0(9) . . . . ?
C61 N2 C74 C69 69.2(7) . . . . ?
C61 N2 C74 C73 -110.1(6) . . . . ?
C61 C62 C63 C64 0.8(9) . . . . ?
C61 C66 C67 C68 36.6(9) . . . . ?
C61 C66 C67 C75 -148.5(5) . . . . ?
C62 C61 C66 C65 0.2(8) . . . . ?
C62 C61 C66 C67 -174.7(5) . . . . ?
C62 C63 C64 C65 -0.9(10) . . . . ?
C63 C64 C65 C66 0.6(10) . . . . ?
C64 C65 C66 C61 -0.2(9) . . . . ?
C64 C65 C66 C67 174.8(6) . . . . ?
C65 C66 C67 C68 -138.2(6) . . . . ?
C65 C66 C67 C75 36.7(8) . . . . ?
C66 C61 C62 C63 -0.5(9) . . . . ?
C66 C67 C68 C69 1.1(9) . . . . ?
C66 C67 C75 C76 38.3(8) . . . . ?
C66 C67 C75 C80 -144.4(6) . . . . ?
C67 C68 C69 C70 141.7(6) . . . . ?
C67 C68 C69 C74 -38.0(9) . . . . ?
C67 C75 C76 C77 175.9(6) . . . . ?
C67 C75 C80 C79 -174.9(6) . . . . ?
C68 C67 C75 C76 -146.6(6) . . . . ?
C68 C67 C75 C80 30.7(8) . . . . ?
C68 C69 C70 C71 -176.0(5) . . . . ?
C68 C69 C74 N2 -2.8(8) . . . . ?
C68 C69 C74 C73 176.5(5) . . . . ?
C69 C70 C71 C72 -2.2(9) . . . . ?
C70 C69 C74 N2 177.5(5) . . . . ?
C70 C69 C74 C73 -3.2(8) . . . . ?
C70 C71 C72 C73 0.1(9) . . . . ?
C71 C72 C73 C74 0.4(9) . . . . ?
C72 C73 C74 N2 -179.6(5) . . . . ?
C72 C73 C74 C69 1.1(8) . . . . ?
C74 N2 C61 C62 107.3(6) . . . . ?
C74 N2 C61 C66 -69.2(7) . . . . ?
C74 C69 C70 C71 3.8(9) . . . . ?
C75 C67 C68 C69 -173.8(5) . . . . ?
C75 C76 C77 C78 -0.2(10) . . . . ?
C76 C75 C80 C79 2.5(9) . . . . ?
C76 C77 C78 C79 0.9(11) . . . . ?
C77 C78 C79 C80 0.1(11) . . . . ?
C78 C79 C80 C75 -1.9(11) . . . . ?
C80 C75 C76 C77 -1.5(9) . . . . ?
C81 C82 C83 C84 -5.1(10) . . . . ?
C81 C90 C91 C92 122.4(6) . . . . ?
C81 C90 C91 C100 -53.8(8) . . . . ?
C82 C81 C90 C89 9.5(9) . . . . ?
C82 C81 C90 C91 -171.1(6) . . . . ?
C82 C83 C84 C85 -172.0(7) . . . . ?
C82 C83 C84 C89 5.3(10) . . . . ?
C83 C84 C85 C86 174.3(7) . . . . ?
C83 C84 C89 C88 -175.6(6) . . . . ?
C83 C84 C89 C90 1.7(9) . . . . ?
C84 C85 C86 C87 1.7(11) . . . . ?
C84 C89 C90 C81 -8.9(9) . . . . ?
C84 C89 C90 C91 171.7(6) . . . . ?
C85 C84 C89 C88 1.8(9) . . . . ?
C85 C84 C89 C90 179.1(6) . . . . ?
C85 C86 C87 C88 1.1(12) . . . . ?
C86 C87 C88 C89 -2.4(11) . . . . ?
C87 C88 C89 C84 0.9(10) . . . . ?
C87 C88 C89 C90 -176.3(6) . . . . ?
C88 C89 C90 C81 168.3(6) . . . . ?
C88 C89 C90 C91 -11.0(9) . . . . ?
C89 C84 C85 C86 -3.1(10) . . . . ?
C89 C90 C91 C92 -58.2(8) . . . . ?
C89 C90 C91 C100 125.6(6) . . . . ?
C90 C81 C82 C83 -2.5(10) . . . . ?
C90 C91 C92 C93 -4.9(10) . . . . ?
C90 C91 C92 C97 178.7(6) . . . . ?
C90 C91 C100 O6 3.2(9) . . . . ?
C90 C91 C100 C99 -175.2(6) . . . . ?
C91 C92 C93 C94 -176.4(7) . . . . ?
C91 C92 C97 C96 175.9(7) . . . . ?
C91 C92 C97 C98 -1.8(10) . . . . ?
C92 C91 C100 O6 -173.1(5) . . . . ?
C92 C91 C100 C99 8.5(9) . . . . ?
C92 C93 C94 C95 0.6(12) . . . . ?
C92 C97 C98 C99 5.4(11) . . . . ?
C93 C92 C97 C96 -0.7(10) . . . . ?
C93 C92 C97 C98 -178.3(7) . . . . ?
C93 C94 C95 C96 -0.5(13) . . . . ?
C94 C95 C96 C97 -0.1(14) . . . . ?
C95 C96 C97 C92 0.7(12) . . . . ?
C95 C96 C97 C98 178.3(8) . . . . ?
C96 C97 C98 C99 -172.1(7) . . . . ?
C97 C92 C93 C94 0.0(11) . . . . ?
C97 C98 C99 C100 -2.2(11) . . . . ?
C98 C99 C100 O6 176.6(6) . . . . ?
C98 C99 C100 C91 -5.0(10) . . . . ?
C100 C91 C92 C93 171.4(6) . . . . ?
C100 C91 C92 C97 -4.9(9) . . . . ?
C101 N3 C114 C109 66.8(7) . . . . ?
C101 N3 C114 C113 -117.2(6) . . . . ?
C101 C102 C103 C104 1.0(14) . . . . ?
C101 C106 C107 C108 37.0(11) . . . . ?
C101 C106 C107 C115 -145.2(7) . . . . ?
C102 C101 C106 C105 0.5(10) . . . . ?
C102 C101 C106 C107 -177.0(7) . . . . ?
C102 C103 C104 C105 0.6(14) . . . . ?
C103 C104 C105 C106 -1.7(14) . . . . ?
C104 C105 C106 C101 1.1(12) . . . . ?
C104 C105 C106 C107 178.7(8) . . . . ?
C105 C106 C107 C108 -140.4(7) . . . . ?
C105 C106 C107 C115 37.3(10) . . . . ?
C106 C101 C102 C103 -1.6(12) . . . . ?
C106 C107 C108 C109 -1.8(11) . . . . ?
C106 C107 C115 C116 31.0(12) . . . . ?
C106 C107 C115 C120 -151.4(9) . . . . ?
C107 C108 C109 C110 148.1(7) . . . . ?
C107 C108 C109 C114 -34.3(10) . . . . ?
C107 C115 C116 C117 172.6(9) . . . . ?
C107 C115 C120 C119 -175.6(12) . . . . ?
C108 C107 C115 C116 -151.2(8) . . . . ?
C108 C107 C115 C120 26.4(12) . . . . ?
C108 C109 C110 C111 175.8(6) . . . . ?
C108 C109 C114 N3 -3.0(8) . . . . ?
C108 C109 C114 C113 -179.0(6) . . . . ?
C109 C110 C111 C112 3.3(9) . . . . ?
C110 C109 C114 N3 174.6(5) . . . . ?
C110 C109 C114 C113 -1.4(8) . . . . ?
C110 C111 C112 C113 -1.2(9) . . . . ?
C111 C112 C113 C114 -2.2(9) . . . . ?
C112 C113 C114 N3 -172.5(5) . . . . ?
C112 C113 C114 C109 3.5(9) . . . . ?
C114 N3 C101 C102 111.0(7) . . . . ?
C114 N3 C101 C106 -67.3(8) . . . . ?
C114 C109 C110 C111 -1.9(8) . . . . ?
C115 C107 C108 C109 -179.5(7) . . . . ?
C115 C116 C117 C118 4.0(17) . . . . ?
C116 C115 C120 C119 2.1(18) . . . . ?
C116 C117 C118 C119 0(2) . . . . ?
C117 C118 C119 C120 -3(3) . . . . ?
C118 C119 C120 C115 2(2) . . . . ?
C120 C115 C116 C117 -5.1(14) . . . . ?
C121 C122 C123 C124 -5.1(9) . . . . ?
C121 C130 C131 C132 125.9(6) . . . . ?
C121 C130 C131 C140 -51.1(8) . . . . ?
C122 C121 C130 C129 11.0(8) . . . . ?
C122 C121 C130 C131 -170.4(5) . . . . ?
C122 C123 C124 C125 -171.7(6) . . . . ?
C122 C123 C124 C129 6.4(9) . . . . ?
C123 C124 C125 C126 175.2(6) . . . . ?
C123 C124 C129 C128 -175.9(6) . . . . ?
C123 C124 C129 C130 0.9(9) . . . . ?
C124 C125 C126 C127 1.3(10) . . . . ?
C124 C129 C130 C121 -9.4(8) . . . . ?
C124 C129 C130 C131 172.1(5) . . . . ?
C125 C124 C129 C128 2.2(9) . . . . ?
C125 C124 C129 C130 179.0(6) . . . . ?
C125 C126 C127 C128 1.0(10) . . . . ?
C126 C127 C128 C129 -1.6(10) . . . . ?
C127 C128 C129 C124 0.0(9) . . . . ?
C127 C128 C129 C130 -176.7(6) . . . . ?
C128 C129 C130 C121 167.3(6) . . . . ?
C128 C129 C130 C131 -11.2(9) . . . . ?
C129 C124 C125 C126 -2.8(9) . . . . ?
C129 C130 C131 C132 -55.6(8) . . . . ?
C129 C130 C131 C140 127.4(6) . . . . ?
C130 C121 C122 C123 -3.8(9) . . . . ?
C130 C131 C132 C133 -6.8(9) . . . . ?
C130 C131 C132 C137 176.3(6) . . . . ?
C130 C131 C140 O8 2.8(9) . . . . ?
C130 C131 C140 C139 -173.8(6) . . . . ?
C131 C132 C133 C134 -176.0(7) . . . . ?
C131 C132 C137 C136 177.9(7) . . . . ?
C131 C132 C137 C138 0.3(10) . . . . ?
C132 C131 C140 O8 -174.3(5) . . . . ?
C132 C131 C140 C139 9.1(9) . . . . ?
C132 C133 C134 C135 -0.7(12) . . . . ?
C132 C137 C138 C139 3.9(11) . . . . ?
C133 C132 C137 C136 0.8(10) . . . . ?
C133 C132 C137 C138 -176.8(7) . . . . ?
C133 C134 C135 C136 -1.4(14) . . . . ?
C134 C135 C136 C137 3.3(15) . . . . ?
C135 C136 C137 C132 -2.9(13) . . . . ?
C135 C136 C137 C138 174.6(9) . . . . ?
C136 C137 C138 C139 -173.6(8) . . . . ?
C137 C132 C133 C134 1.0(10) . . . . ?
C137 C138 C139 C140 -1.7(11) . . . . ?
C138 C139 C140 O8 178.3(6) . . . . ?
C138 C139 C140 C131 -5.0(10) . . . . ?
C140 C131 C132 C133 170.4(6) . . . . ?
C140 C131 C132 C137 -6.6(9) . . . . ?
C141 N4 C154 C149 67.6(7) . . . . ?
C141 N4 C154 C153 -116.8(6) . . . . ?
C141 C142 C143 C144 2.2(12) . . . . ?
C141 C146 C147 C148 30.7(10) . . . . ?
C141 C146 C147 C155 -154.6(7) . . . . ?
C142 C141 C146 C145 2.9(9) . . . . ?
C142 C141 C146 C147 -174.2(6) . . . . ?
C142 C143 C144 C145 -0.7(12) . . . . ?
C143 C144 C145 C146 0.3(11) . . . . ?
C144 C145 C146 C141 -1.4(10) . . . . ?
C144 C145 C146 C147 175.8(6) . . . . ?
C145 C146 C147 C148 -146.3(7) . . . . ?
C145 C146 C147 C155 28.4(9) . . . . ?
C146 C141 C142 C143 -3.4(10) . . . . ?
C146 C147 C148 C149 -0.3(11) . . . . ?
C146 C147 C155 C156 46.4(11) . . . . ?
C146 C147 C155 C160 -132.3(9) . . . . ?
C147 C148 C149 C150 153.4(7) . . . . ?
C147 C148 C149 C154 -27.5(10) . . . . ?
C147 C155 C156 C157 175.3(9) . . . . ?
C147 C155 C160 C159 -175.2(11) . . . . ?
C148 C147 C155 C156 -138.4(8) . . . . ?
C148 C147 C155 C160 42.8(11) . . . . ?
C148 C149 C150 C151 179.7(6) . . . . ?
C148 C149 C154 N4 -9.3(8) . . . . ?
C148 C149 C154 C153 175.1(6) . . . . ?
C149 C150 C151 C152 4.1(10) . . . . ?
C150 C149 C154 N4 169.8(5) . . . . ?
C150 C149 C154 C153 -5.8(8) . . . . ?
C150 C151 C152 C153 -3.4(10) . . . . ?
C151 C152 C153 C154 -1.8(9) . . . . ?
C152 C153 C154 N4 -169.1(5) . . . . ?
C152 C153 C154 C149 6.5(9) . . . . ?
C154 N4 C141 C142 112.8(6) . . . . ?
C154 N4 C141 C146 -64.6(7) . . . . ?
C154 C149 C150 C151 0.5(9) . . . . ?
C155 C147 C148 C149 -175.0(7) . . . . ?
C155 C156 C157 C158 1.6(18) . . . . ?
C156 C155 C160 C159 6.0(17) . . . . ?
C156 C157 C158 C159 3(2) . . . . ?
C157 C158 C159 C160 -3(3) . . . . ?
C158 C159 C160 C155 -2(2) . . . . ?
C160 C155 C156 C157 -6.0(15) . . . . ?
C161 C162 C163 C164 -2(2) . . . . ?
C162 C161 C166 C165 1(2) . . . . ?
C162 C163 C164 C165 1.1(19) . . . . ?
C163 C164 C165 C166 1(2) . . . . ?
C164 C165 C166 C161 -2(2) . . . . ?
C166 C161 C162 C163 1(2) . . . . ?
C167 C168 C169 C170 0.0 . . . . ?
C168 C167 C172 C171 0.0 . . . . ?
C168 C169 C170 C171 0.0 . . . . ?
C169 C170 C171 C172 0.0 . . . . ?
C170 C171 C172 C167 0.0 . . . . ?
C172 C167 C168 C169 0.0 . . . . ?
C197 C198 C199 C200 170.8(13) . . . . ?
C198 C199 C200 C201 -172.6(14) . . . . ?
C199 C200 C201 C202 66(2) . . . . ?
C176 C177 C178 C173 0.0 . . . . ?
C177 C176 C175 C174 0.0 . . . . ?
C177 C178 C173 C174 0.0 . . . . ?
C178 C173 C174 C175 0.0 . . . . ?
C173 C174 C175 C176 0.0 . . . . ?
C175 C176 C177 C178 0.0 . . . . ?
C191 C192 C193 C194 0.0 . . . . ?
C192 C191 C196 C195 0.0 . . . . ?
C192 C193 C194 C195 0.0 . . . . ?
C193 C194 C195 C196 0.0 . . . . ?
C194 C195 C196 C191 0.0 . . . . ?
C196 C191 C192 C193 0.0 . . . . ?
C181 C182 C183 C184 0.0 . . . . ?
C182 C181 C180 C179 0.0 . . . . ?
C182 C183 C184 C179 0.0 . . . . ?
C183 C184 C179 C180 0.0 . . . . ?
C184 C179 C180 C181 0.0 . . . . ?
C180 C181 C182 C183 0.0 . . . . ?
C190 C189 C188 C187 0.0 . . . . ?
C189 C190 C185 C186 0.0 . . . . ?
C189 C188 C187 C186 0.0 . . . . ?
C188 C187 C186 C185 0.0 . . . . ?
C187 C186 C185 C190 0.0 . . . . ?
C185 C190 C189 C188 0.0 . . . . ?


_olex2_date_sample_data_collection 2019-10-31
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.714
_oxdiff_exptl_absorpt_empirical_full_min 0.707



#===END OF ALL DATA

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene, n-hexane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_rd2209
_database_code_depnum_ccdc_archive 'CCDC 2295529'
loop_
_audit_author_name
_audit_author_address
'Frank W. Heinemann'
;Friedrich Alexander Universitaet Erlangen Nuernberg
Germany
;
_audit_update_record             
;
2023-09-18 deposited with the CCDC.	2023-10-31 downloaded from the CCDC.
;
_audit_creation_date             2023-07-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C160 H104 Cl2 N4 O8 P4 Rh2, 7.5(C6 H6), 0.25(C5 H12)'
_chemical_formula_sum            'C206.25 H152 Cl2 N4 O8 P4 Rh2'
_chemical_formula_weight         3214.91
_chemical_absolute_configuration ad
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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      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                   17.4039(12)
_cell_length_b                   19.9901(14)
_cell_length_c                   25.7764(17)
_cell_angle_alpha                67.834(2)
_cell_angle_beta                 80.669(3)
_cell_angle_gamma                76.916(3)
_cell_volume                     8060.1(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9611
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.47
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   0.943
_shelx_estimated_absorpt_T_min   0.893
_exptl_absorpt_coefficient_mu    0.342
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0896 before and 0.0702 after correction.
The Ratio of minimum to maximum transmission is 0.9365.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3331
_exptl_crystal_size_max          0.338
_exptl_crystal_size_mid          0.225
_exptl_crystal_size_min          0.174
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0852
_diffrn_reflns_av_unetI/netI     0.0709
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            472238
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_min         1.850
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_source         'ImuS high brilliance micro-focus tube'
_diffrn_radiation_monochromator  'Quazar focussing montel optics'
_diffrn_measurement_device_type  'Bruker Kappa ImuS Duo Photon II CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                74503
_reflns_number_total             90374
_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_data_collection       'Bruker APEX3 (Bruker AXS, 2015)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS, 2016)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS, 2016)'
_computing_structure_solution    'SHELX XT 2014/5 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_diff_density_max         1.093
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details 
;
 Flack x determined using 30411 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.009(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     4072
_refine_ls_number_reflns         90374
_refine_ls_number_restraints     304
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0510
_refine_ls_restrained_S_all      1.041
_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)+(0.0516P)²+4.3469P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1072
_refine_ls_wR_factor_ref         0.1170
_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. Restrained distances
 C551-C552 = C552-C553 = C553-C554 = C554-C555
 1.54 with sigma of 0.01
 C551-C553 = C552-C554 = C553-C555
 2.9 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C451 \\sim C452 \\sim C453 \\sim C454 \\sim C455 \\sim C456: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C461 \\sim C462 \\sim C463 \\sim C464 \\sim C465 \\sim C466: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C471 \\sim C472 \\sim C473 \\sim C474 \\sim C475 \\sim C476: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C501 \\sim C502 \\sim C503 \\sim C504 \\sim C505 \\sim C506: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C531 \\sim C532 \\sim C533 \\sim C534 \\sim C535 \\sim C536: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C541 \\sim C542 \\sim C543 \\sim C544 \\sim C545 \\sim C546: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C551 \\sim C552 \\sim C553 \\sim C554 \\sim C555: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
Uanis(C475) \\sim Ueq, Uanis(C481) \\sim Ueq, Uanis(C504) \\sim Ueq,
Uanis(C521) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C551) \\sim Ueq, Uanis(C552) \\sim Ueq, Uanis(C553) \\sim Ueq,
Uanis(C554) \\sim Ueq, Uanis(C555) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Others
 Fixed Sof: C551(0.5) H55A(0.5) H55B(0.5) H55C(0.5) C552(0.5) H55D(0.5)
 H55E(0.5) C553(0.5) H55F(0.5) H55G(0.5) C554(0.5) H55H(0.5) H55I(0.5)
 C555(0.5) H55J(0.5) H55K(0.5) H55L(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C552(H55D,H55E), C553(H55F,H55G), C554(H55H,H55I)
5.b Me refined with riding coordinates:
 C551(H55A,H55B,H55C), C555(H55J,H55K,H55L)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23),
  C25(H25), C26(H26), C27(H27), C28(H28), C33(H33), C34(H34), C35(H35),
 C36(H36), C38(H38), C39(H39), C42(H42), C43(H43), C44(H44), C45(H45), C48(H48),
  C50(H50), C51(H51), C52(H52), C53(H53), C56(H56), C57(H57), C58(H58),
 C59(H59), C60(H60), C62(H62), C63(H63), C65(H65), C66(H66), C67(H67), C68(H68),
  C73(H73), C74(H74), C75(H75), C76(H76), C78(H78), C79(H79), C82(H82),
 C83(H83), C84(H84), C85(H85), C88(H88), C90(H90), C91(H91), C92(H92), C93(H93),
  C96(H96), C97(H97), C98(H98), C99(H99), C100(H100), C102(H102), C103(H103),
 C105(H105), C106(H106), C107(H107), C108(H108), C113(H113), C114(H114),
 C115(H115), C116(H116), C118(H118), C119(H119), C122(H122), C123(H123),
 C124(H124), C125(H125), C128(H128), C130(H130), C131(H131), C132(H132),
 C133(H133), C136(H136), C137(H137), C138(H138), C139(H139), C140(H140),
 C142(H142), C143(H143), C145(H145), C146(H146), C147(H147), C148(H148),
 C153(H153), C154(H154), C155(H155), C156(H156), C158(H158), C159(H159),
 C162(H162), C163(H163), C164(H164), C165(H165), C168(H168), C170(H170),
 C171(H171), C172(H172), C173(H173), C176(H176), C177(H177), C178(H178),
 C179(H179), C180(H180), C182(H182), C183(H183), C185(H185), C186(H186),
 C187(H187), C188(H188), C193(H193), C194(H194), C195(H195), C196(H196),
 C198(H198), C199(H199), C202(H202), C203(H203), C204(H204), C205(H205),
 C208(H208), C210(H210), C211(H211), C212(H212), C213(H213), C216(H216),
 C217(H217), C218(H218), C219(H219), C220(H220), C222(H222), C223(H223),
 C225(H225), C226(H226), C227(H227), C228(H228), C233(H233), C234(H234),
 C235(H235), C236(H236), C238(H238), C239(H239), C242(H242), C243(H243),
 C244(H244), C245(H245), C248(H248), C250(H250), C251(H251), C252(H252),
 C253(H253), C256(H256), C257(H257), C258(H258), C259(H259), C260(H260),
 C262(H262), C263(H263), C265(H265), C266(H266), C267(H267), C268(H268),
 C273(H273), C274(H274), C275(H275), C276(H276), C278(H278), C279(H279),
 C282(H282), C283(H283), C284(H284), C285(H285), C288(H288), C290(H290),
 C291(H291), C292(H292), C293(H293), C296(H296), C297(H297), C298(H298),
 C299(H299), C300(H300), C302(H302), C303(H303), C305(H305), C306(H306),
 C307(H307), C308(H308), C313(H313), C314(H314), C315(H315), C316(H316),
 C318(H318), C319(H319), C401(H401), C402(H402), C403(H403), C404(H404),
 C405(H405), C406(H406), C411(H411), C412(H412), C413(H413), C414(H414),
 C415(H415), C416(H416), C421(H421), C422(H422), C423(H423), C424(H424),
 C425(H425), C426(H426), C431(H431), C432(H432), C433(H433), C434(H434),
 C435(H435), C436(H436), C441(H441), C442(H442), C443(H443), C444(H444),
 C445(H445), C446(H446), C451(H451), C452(H452), C453(H453), C454(H454),
 C455(H455), C456(H456), C461(H461), C462(H462), C463(H463), C464(H464),
 C465(H465), C466(H466), C471(H471), C472(H472), C473(H473), C474(H474),
 C475(H475), C476(H476), C481(H481), C482(H482), C483(H483), C484(H484),
 C485(H485), C486(H486), C491(H491), C492(H492), C493(H493), C494(H494),
 C495(H495), C496(H496), C501(H501), C502(H502), C503(H503), C504(H504),
 C505(H505), C506(H506), C511(H511), C512(H512), C513(H513), C514(H514),
 C515(H515), C516(H516), C521(H521), C522(H522), C523(H523), C524(H524),
 C525(H525), C526(H526), C531(H531), C532(H532), C533(H533), C534(H534),
 C535(H535), C536(H536), C541(H541), C542(H542), C543(H543), C544(H544),
 C545(H545), C546(H546)
5.d Fitted hexagon refined as free rotating group:
 C461(C462,C463,C464,C465,C466), C521(C522,C523,C524,C525,C526)
;
_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 0.20859(2) 0.71199(2) 0.74367(2) 0.01521(7) Uani 1 1 d . . . . .
Rh2 Rh 0.16526(2) 0.69263(2) 0.61729(2) 0.01528(7) Uani 1 1 d . . . . .
Cl1 Cl 0.19619(7) 0.61593(6) 0.71183(5) 0.0214(2) Uani 1 1 d . . . . .
Cl2 Cl 0.19612(7) 0.78847(6) 0.64495(4) 0.0191(2) Uani 1 1 d . . . . .
P1 P 0.20587(7) 0.80098(7) 0.77180(5) 0.0159(2) Uani 1 1 d . . . . .
P2 P 0.23107(7) 0.62727(7) 0.82403(5) 0.0177(2) Uani 1 1 d . . . . .
P3 P 0.15129(7) 0.76198(7) 0.53071(5) 0.0156(2) Uani 1 1 d . . . . .
P4 P 0.13639(7) 0.59969(7) 0.60788(5) 0.0165(2) Uani 1 1 d . . . . .
O1 O 0.16967(19) 0.78269(18) 0.83709(13) 0.0181(7) Uani 1 1 d . . . . .
O2 O 0.14924(18) 0.87905(17) 0.74243(12) 0.0164(6) Uani 1 1 d . . . . .
O3 O 0.28196(19) 0.55071(18) 0.82014(13) 0.0199(7) Uani 1 1 d . . . . .
O4 O 0.2853(2) 0.64292(19) 0.86261(13) 0.0212(7) Uani 1 1 d . . . . .
O5 O 0.17503(18) 0.71920(18) 0.48591(12) 0.0179(6) Uani 1 1 d . . . . .
O6 O 0.21003(18) 0.82161(19) 0.50548(13) 0.0182(7) Uani 1 1 d . . . . .
O7 O 0.09142(18) 0.54491(18) 0.66189(13) 0.0189(7) Uani 1 1 d . . . . .
O8 O 0.07330(19) 0.61949(18) 0.56176(13) 0.0192(7) Uani 1 1 d . . . . .
N1 N 0.2882(2) 0.8360(2) 0.76212(15) 0.0173(8) Uani 1 1 d . . . . .
N2 N 0.1542(2) 0.5909(2) 0.86434(17) 0.0227(9) Uani 1 1 d . . . . .
N3 N 0.0664(2) 0.8214(2) 0.51439(15) 0.0180(8) Uani 1 1 d . . . . .
N4 N 0.2117(2) 0.5352(2) 0.60063(17) 0.0216(8) Uani 1 1 d . . . . .
C1 C 0.3634(3) 0.7875(3) 0.77026(18) 0.0192(9) Uani 1 1 d . . . . .
C2 C 0.3922(3) 0.7477(3) 0.7347(2) 0.0236(10) Uani 1 1 d . . . . .
H2 H 0.362617 0.753516 0.704920 0.028 Uiso 1 1 calc R U . . .
C3 C 0.4645(3) 0.6996(3) 0.7429(2) 0.0275(11) Uani 1 1 d . . . . .
H3 H 0.484157 0.672193 0.718869 0.033 Uiso 1 1 calc R U . . .
C4 C 0.5076(3) 0.6918(3) 0.7862(2) 0.0312(12) Uani 1 1 d . . . . .
H4 H 0.556772 0.658750 0.791904 0.037 Uiso 1 1 calc R U . . .
C5 C 0.4794(3) 0.7315(3) 0.8210(2) 0.0277(11) Uani 1 1 d . . . . .
H5 H 0.509749 0.725294 0.850498 0.033 Uiso 1 1 calc R U . . .
C6 C 0.4072(3) 0.7811(3) 0.81389(19) 0.0229(10) Uani 1 1 d . . . . .
C7 C 0.3827(3) 0.8279(3) 0.8483(2) 0.0255(11) Uani 1 1 d . . . . .
C8 C 0.3467(3) 0.8982(3) 0.8288(2) 0.0256(11) Uani 1 1 d . . . . .
H8 H 0.335578 0.922611 0.855162 0.031 Uiso 1 1 calc R U . . .
C9 C 0.3219(3) 0.9426(3) 0.7723(2) 0.0220(10) Uani 1 1 d . . . . .
C10 C 0.3252(3) 1.0180(3) 0.7499(2) 0.0291(12) Uani 1 1 d . . . . .
H10 H 0.342643 1.039813 0.771749 0.035 Uiso 1 1 calc R U . . .
C11 C 0.3031(3) 1.0608(3) 0.6962(2) 0.0300(12) Uani 1 1 d . . . . .
H11 H 0.304803 1.111781 0.681836 0.036 Uiso 1 1 calc R U . . .
C12 C 0.2788(3) 1.0298(3) 0.6636(2) 0.0271(11) Uani 1 1 d . . . . .
H12 H 0.264877 1.059057 0.626500 0.033 Uiso 1 1 calc R U . . .
C13 C 0.2746(3) 0.9559(3) 0.68489(19) 0.0215(10) Uani 1 1 d . . . . .
H13 H 0.258187 0.934526 0.662258 0.026 Uiso 1 1 calc R U . . .
C14 C 0.2944(3) 0.9124(3) 0.73958(19) 0.0191(9) Uani 1 1 d . . . . .
C15 C 0.4037(3) 0.7959(4) 0.9080(2) 0.0375(14) Uani 1 1 d . . . . .
C16 C 0.3964(4) 0.7233(4) 0.9407(2) 0.0436(16) Uani 1 1 d . . . . .
H16 H 0.381887 0.693676 0.923770 0.052 Uiso 1 1 calc R U . . .
C17 C 0.4098(5) 0.6934(6) 0.9973(3) 0.070(3) Uani 1 1 d . . . . .
H17 H 0.404383 0.643972 1.018544 0.085 Uiso 1 1 calc R U . . .
C18 C 0.4306(6) 0.7347(7) 1.0224(3) 0.095(4) Uani 1 1 d . . . . .
H18 H 0.438183 0.714704 1.061328 0.114 Uiso 1 1 calc R U . . .
C19 C 0.4408(6) 0.8072(7) 0.9905(4) 0.088(3) Uani 1 1 d . . . . .
H19 H 0.457334 0.835267 1.007868 0.106 Uiso 1 1 calc R U . . .
C20 C 0.4268(4) 0.8394(5) 0.9323(3) 0.056(2) Uani 1 1 d . . . . .
H20 H 0.432890 0.888627 0.910893 0.067 Uiso 1 1 calc R U . . .
C21 C 0.1468(3) 0.8357(3) 0.86221(18) 0.0194(9) Uani 1 1 d . . . . .
C22 C 0.1911(3) 0.8259(3) 0.90648(19) 0.0229(10) Uani 1 1 d . . . . .
H22 H 0.235762 0.787571 0.915714 0.027 Uiso 1 1 calc R U . . .
C23 C 0.1687(3) 0.8726(3) 0.9360(2) 0.0259(11) Uani 1 1 d . . . . .
H23 H 0.196317 0.864790 0.967328 0.031 Uiso 1 1 calc R U . . .
C24 C 0.1049(3) 0.9323(3) 0.9203(2) 0.0251(11) Uani 1 1 d . . . . .
C25 C 0.0838(4) 0.9829(3) 0.9494(2) 0.0345(13) Uani 1 1 d . . . . .
H25 H 0.110825 0.974857 0.980981 0.041 Uiso 1 1 calc R U . . .
C26 C 0.0256(4) 1.0424(3) 0.9323(3) 0.0365(14) Uani 1 1 d . . . . .
H26 H 0.011818 1.075456 0.952228 0.044 Uiso 1 1 calc R U . . .
C27 C -0.0144(3) 1.0553(3) 0.8856(2) 0.0329(13) Uani 1 1 d . . . . .
H27 H -0.054255 1.097651 0.873362 0.039 Uiso 1 1 calc R U . . .
C28 C 0.0039(3) 1.0069(3) 0.8573(2) 0.0271(11) Uani 1 1 d . . . . .
H28 H -0.023265 1.016723 0.825331 0.032 Uiso 1 1 calc R U . . .
C29 C 0.0623(3) 0.9427(3) 0.8746(2) 0.0214(10) Uani 1 1 d . . . . .
C30 C 0.0814(3) 0.8897(3) 0.84684(18) 0.0181(9) Uani 1 1 d . . . . .
C31 C 0.0317(3) 0.8921(3) 0.80378(18) 0.0178(9) Uani 1 1 d . . . . .
C32 C -0.0527(3) 0.8969(3) 0.81359(19) 0.0192(9) Uani 1 1 d . . . . .
C33 C -0.0950(3) 0.8933(3) 0.8663(2) 0.0228(10) Uani 1 1 d . . . . .
H33 H -0.066989 0.887691 0.896831 0.027 Uiso 1 1 calc R U . . .
C34 C -0.1753(3) 0.8980(3) 0.8736(2) 0.0294(12) Uani 1 1 d . . . . .
H34 H -0.202518 0.895346 0.909218 0.035 Uiso 1 1 calc R U . . .
C35 C -0.2178(3) 0.9065(3) 0.8292(2) 0.0312(12) Uani 1 1 d . . . . .
H35 H -0.273796 0.910808 0.834628 0.037 Uiso 1 1 calc R U . . .
C36 C -0.1800(3) 0.9088(3) 0.7788(2) 0.0271(11) Uani 1 1 d . . . . .
H36 H -0.209713 0.914288 0.749106 0.033 Uiso 1 1 calc R U . . .
C37 C -0.0961(3) 0.9029(3) 0.7692(2) 0.0219(10) Uani 1 1 d . . . . .
C38 C -0.0558(3) 0.9003(3) 0.71765(19) 0.0207(9) Uani 1 1 d . . . . .
H38 H -0.085132 0.906024 0.687779 0.025 Uiso 1 1 calc R U . . .
C39 C 0.0247(3) 0.8897(3) 0.71032(19) 0.0204(9) Uani 1 1 d . . . . .
H39 H 0.051753 0.885182 0.676368 0.025 Uiso 1 1 calc R U . . .
C40 C 0.0672(3) 0.8857(2) 0.75351(18) 0.0169(9) Uani 1 1 d . . . . .
C41 C 0.0774(3) 0.6353(3) 0.8670(2) 0.0226(10) Uani 1 1 d . . . . .
C42 C 0.0375(3) 0.6713(3) 0.8186(2) 0.0230(10) Uani 1 1 d . . . . .
H42 H 0.061657 0.666858 0.783988 0.028 Uiso 1 1 calc R U . . .
C43 C -0.0372(3) 0.7135(3) 0.8204(2) 0.0244(10) Uani 1 1 d . . . . .
H43 H -0.063881 0.738243 0.787132 0.029 Uiso 1 1 calc R U . . .
C44 C -0.0730(3) 0.7195(3) 0.8711(2) 0.0276(11) Uani 1 1 d . . . . .
H44 H -0.124343 0.748158 0.872741 0.033 Uiso 1 1 calc R U . . .
C45 C -0.0330(3) 0.6830(3) 0.9196(2) 0.0273(11) Uani 1 1 d . . . . .
H45 H -0.057725 0.687456 0.954068 0.033 Uiso 1 1 calc R U . . .
C46 C 0.0421(3) 0.6403(3) 0.9190(2) 0.0255(11) Uani 1 1 d . . . . .
C47 C 0.0788(3) 0.5987(3) 0.9729(2) 0.0338(13) Uani 1 1 d . . . . .
C48 C 0.1232(3) 0.5312(4) 0.9848(2) 0.0406(16) Uani 1 1 d . . . . .
H48 H 0.144335 0.511055 1.020427 0.049 Uiso 1 1 calc R U . . .
C49 C 0.1433(3) 0.4850(3) 0.9512(3) 0.0381(14) Uani 1 1 d . . . . .
C50 C 0.1492(4) 0.4086(4) 0.9777(3) 0.057(2) Uani 1 1 d . . . . .
H50 H 0.145286 0.387663 1.017583 0.068 Uiso 1 1 calc R U . . .
C51 C 0.1607(4) 0.3635(4) 0.9466(4) 0.062(2) Uani 1 1 d . . . . .
H51 H 0.164591 0.311899 0.965229 0.074 Uiso 1 1 calc R U . . .
C52 C 0.1665(4) 0.3926(4) 0.8896(4) 0.059(2) Uani 1 1 d . . . . .
H52 H 0.172651 0.361445 0.868499 0.070 Uiso 1 1 calc R U . . .
C53 C 0.1635(3) 0.4676(3) 0.8619(3) 0.0389(14) Uani 1 1 d . . . . .
H53 H 0.168189 0.487477 0.821950 0.047 Uiso 1 1 calc R U . . .
C54 C 0.1535(3) 0.5135(3) 0.8923(2) 0.0309(12) Uani 1 1 d . . . . .
C55 C 0.0590(3) 0.6322(4) 1.0169(2) 0.0393(15) Uani 1 1 d . . . . .
C56 C 0.0330(4) 0.5915(5) 1.0721(2) 0.0512(19) Uani 1 1 d . . . . .
H56 H 0.028579 0.541706 1.081487 0.061 Uiso 1 1 calc R U . . .
C57 C 0.0137(4) 0.6234(6) 1.1132(3) 0.064(2) Uani 1 1 d . . . . .
H57 H -0.004618 0.595163 1.150129 0.077 Uiso 1 1 calc R U . . .
C58 C 0.0206(5) 0.6941(6) 1.1016(3) 0.067(3) Uani 1 1 d . . . . .
H58 H 0.008298 0.714693 1.130313 0.080 Uiso 1 1 calc R U . . .
C59 C 0.0461(4) 0.7368(5) 1.0464(3) 0.057(2) Uani 1 1 d . . . . .
H59 H 0.050559 0.786410 1.037658 0.068 Uiso 1 1 calc R U . . .
C60 C 0.0646(4) 0.7053(4) 1.0049(3) 0.0456(17) Uani 1 1 d . . . . .
H60 H 0.081243 0.734086 0.967795 0.055 Uiso 1 1 calc R U . . .
C61 C 0.3638(3) 0.5402(3) 0.8088(2) 0.0214(10) Uani 1 1 d . . . . .
C62 C 0.3948(3) 0.5354(3) 0.7565(2) 0.0275(11) Uani 1 1 d . . . . .
H62 H 0.360643 0.544156 0.728444 0.033 Uiso 1 1 calc R U . . .
C63 C 0.4750(3) 0.5181(3) 0.7463(3) 0.0335(12) Uani 1 1 d . . . . .
H63 H 0.496490 0.512401 0.711548 0.040 Uiso 1 1 calc R U . . .
C64 C 0.5264(3) 0.5085(3) 0.7867(2) 0.0320(12) Uani 1 1 d . . . . .
C65 C 0.6103(4) 0.4953(3) 0.7751(3) 0.0428(15) Uani 1 1 d . . . . .
H65 H 0.632631 0.489218 0.740633 0.051 Uiso 1 1 calc R U . . .
C66 C 0.6583(4) 0.4915(4) 0.8128(3) 0.056(2) Uani 1 1 d . . . . .
H66 H 0.714070 0.482527 0.804457 0.067 Uiso 1 1 calc R U . . .
C67 C 0.6276(4) 0.5004(4) 0.8637(3) 0.0504(19) Uani 1 1 d . . . . .
H67 H 0.662309 0.498358 0.889346 0.060 Uiso 1 1 calc R U . . .
C68 C 0.5470(3) 0.5123(3) 0.8766(3) 0.0384(14) Uani 1 1 d . . . . .
H68 H 0.526514 0.518442 0.911338 0.046 Uiso 1 1 calc R U . . .
C69 C 0.4940(3) 0.5155(3) 0.8389(2) 0.0304(12) Uani 1 1 d . . . . .
C70 C 0.4094(3) 0.5278(3) 0.8513(2) 0.0229(10) Uani 1 1 d . . . . .
C71 C 0.3713(3) 0.5289(3) 0.9067(2) 0.0278(11) Uani 1 1 d . . . . .
C72 C 0.3905(3) 0.4677(3) 0.9578(2) 0.0369(14) Uani 1 1 d . . . . .
C73 C 0.4367(4) 0.4002(4) 0.9569(3) 0.0471(18) Uani 1 1 d . . . . .
H73 H 0.458938 0.395209 0.922073 0.057 Uiso 1 1 calc R U . . .
C74 C 0.4498(4) 0.3413(4) 1.0065(3) 0.065(3) Uani 1 1 d . . . . .
H74 H 0.479306 0.295634 1.005253 0.078 Uiso 1 1 calc R U . . .
C75 C 0.4207(5) 0.3477(5) 1.0580(3) 0.077(3) Uani 1 1 d . . . . .
H75 H 0.432163 0.307201 1.091662 0.093 Uiso 1 1 calc R U . . .
C76 C 0.3761(5) 0.4113(5) 1.0606(3) 0.070(3) Uani 1 1 d . . . . .
H76 H 0.357182 0.414960 1.096333 0.083 Uiso 1 1 calc R U . . .
C77 C 0.3566(4) 0.4738(4) 1.0105(3) 0.0505(19) Uani 1 1 d . . . . .
C78 C 0.3053(4) 0.5380(4) 1.0117(2) 0.0513(19) Uani 1 1 d . . . . .
H78 H 0.286437 0.543450 1.046835 0.062 Uiso 1 1 calc R U . . .
C79 C 0.2816(4) 0.5935(4) 0.9630(2) 0.0380(14) Uani 1 1 d . . . . .
H79 H 0.244463 0.635908 0.964280 0.046 Uiso 1 1 calc R U . . .
C80 C 0.3136(3) 0.5863(3) 0.9108(2) 0.0279(11) Uani 1 1 d . . . . .
C81 C -0.0061(3) 0.8073(2) 0.54896(18) 0.0161(9) Uani 1 1 d . . . . .
C82 C -0.0104(3) 0.8002(3) 0.60543(18) 0.0196(9) Uani 1 1 d . . . . .
H82 H 0.033073 0.807150 0.619672 0.024 Uiso 1 1 calc R U . . .
C83 C -0.0779(3) 0.7830(3) 0.64068(19) 0.0237(10) Uani 1 1 d . . . . .
H83 H -0.079826 0.776418 0.679320 0.028 Uiso 1 1 calc R U . . .
C84 C -0.1420(3) 0.7756(3) 0.6197(2) 0.0225(10) Uani 1 1 d . . . . .
H84 H -0.188140 0.763553 0.643846 0.027 Uiso 1 1 calc R U . . .
C85 C -0.1394(3) 0.7857(3) 0.56322(19) 0.0193(9) Uani 1 1 d . . . . .
H85 H -0.184763 0.782012 0.549076 0.023 Uiso 1 1 calc R U . . .
C86 C -0.0714(3) 0.8013(3) 0.52619(18) 0.0179(9) Uani 1 1 d . . . . .
C87 C -0.0743(3) 0.8118(3) 0.46677(18) 0.0179(9) Uani 1 1 d . . . . .
C88 C -0.0348(3) 0.8570(3) 0.42244(18) 0.0195(9) Uani 1 1 d . . . . .
H88 H -0.041716 0.857795 0.386399 0.023 Uiso 1 1 calc R U . . .
C89 C 0.0165(3) 0.9042(3) 0.42338(18) 0.0198(9) Uani 1 1 d . . . . .
C90 C 0.0215(3) 0.9685(3) 0.37619(19) 0.0242(10) Uani 1 1 d . . . . .
H90 H -0.003901 0.976616 0.343805 0.029 Uiso 1 1 calc R U . . .
C91 C 0.0627(3) 1.0201(3) 0.3762(2) 0.0281(11) Uani 1 1 d . . . . .
H91 H 0.065824 1.063097 0.343867 0.034 Uiso 1 1 calc R U . . .
C92 C 0.0998(3) 1.0092(3) 0.4236(2) 0.0267(11) Uani 1 1 d . . . . .
H92 H 0.126123 1.045560 0.424231 0.032 Uiso 1 1 calc R U . . .
C93 C 0.0979(3) 0.9448(3) 0.4696(2) 0.0215(10) Uani 1 1 d . . . . .
H93 H 0.122748 0.937306 0.502057 0.026 Uiso 1 1 calc R U . . .
C94 C 0.0602(3) 0.8914(3) 0.46858(18) 0.0184(9) Uani 1 1 d . . . . .
C95 C -0.1303(3) 0.7743(3) 0.45398(19) 0.0190(9) Uani 1 1 d . . . . .
C96 C -0.1251(3) 0.6985(3) 0.4781(2) 0.0269(11) Uani 1 1 d . . . . .
H96 H -0.086577 0.670218 0.503892 0.032 Uiso 1 1 calc R U . . .
C97 C -0.1754(3) 0.6636(3) 0.4648(2) 0.0308(12) Uani 1 1 d . . . . .
H97 H -0.170715 0.611760 0.481121 0.037 Uiso 1 1 calc R U . . .
C98 C -0.2327(3) 0.7048(3) 0.4277(2) 0.0315(12) Uani 1 1 d . . . . .
H98 H -0.267331 0.681058 0.418518 0.038 Uiso 1 1 calc R U . . .
C99 C -0.2392(3) 0.7797(3) 0.4042(2) 0.0286(11) Uani 1 1 d . . . . .
H99 H -0.278774 0.807726 0.379131 0.034 Uiso 1 1 calc R U . . .
C100 C -0.1885(3) 0.8147(3) 0.4168(2) 0.0233(10) Uani 1 1 d . . . . .
H100 H -0.193341 0.866578 0.400042 0.028 Uiso 1 1 calc R U . . .
C101 C 0.1745(3) 0.7601(3) 0.42820(18) 0.0186(9) Uani 1 1 d . . . . .
C102 C 0.1161(3) 0.7540(3) 0.4001(2) 0.0237(10) Uani 1 1 d . . . . .
H102 H 0.080900 0.720609 0.419233 0.028 Uiso 1 1 calc R U . . .
C103 C 0.1097(3) 0.7965(3) 0.3445(2) 0.0252(11) Uani 1 1 d . . . . .
H103 H 0.071668 0.790926 0.324503 0.030 Uiso 1 1 calc R U . . .
C104 C 0.1596(3) 0.8489(3) 0.3168(2) 0.0242(10) Uani 1 1 d . . . . .
C105 C 0.1463(3) 0.9010(3) 0.2617(2) 0.0301(12) Uani 1 1 d . . . . .
H105 H 0.104553 0.899677 0.242719 0.036 Uiso 1 1 calc R U . . .
C106 C 0.1934(4) 0.9530(3) 0.2359(2) 0.0356(13) Uani 1 1 d . . . . .
H106 H 0.183723 0.987914 0.199449 0.043 Uiso 1 1 calc R U . . .
C107 C 0.2552(4) 0.9547(3) 0.2631(2) 0.0337(13) Uani 1 1 d . . . . .
H107 H 0.287587 0.990869 0.244853 0.040 Uiso 1 1 calc R U . . .
C108 C 0.2704(3) 0.9049(3) 0.3162(2) 0.0263(11) Uani 1 1 d . . . . .
H108 H 0.313407 0.906679 0.333856 0.032 Uiso 1 1 calc R U . . .
C109 C 0.2223(3) 0.8509(3) 0.34477(19) 0.0205(9) Uani 1 1 d . . . . .
C110 C 0.2324(3) 0.8017(3) 0.40147(18) 0.0186(9) Uani 1 1 d . . . . .
C111 C 0.3006(3) 0.7950(3) 0.43240(19) 0.0197(9) Uani 1 1 d . . . . .
C112 C 0.3809(3) 0.7765(3) 0.4111(2) 0.0230(10) Uani 1 1 d . . . . .
C113 C 0.4013(3) 0.7592(3) 0.3616(2) 0.0288(11) Uani 1 1 d . . . . .
H113 H 0.360508 0.761641 0.340173 0.035 Uiso 1 1 calc R U . . .
C114 C 0.4782(3) 0.7392(4) 0.3442(2) 0.0375(14) Uani 1 1 d . . . . .
H114 H 0.490233 0.727124 0.311165 0.045 Uiso 1 1 calc R U . . .
C115 C 0.5406(3) 0.7362(4) 0.3747(3) 0.0422(16) Uani 1 1 d . . . . .
H115 H 0.594190 0.722825 0.361990 0.051 Uiso 1 1 calc R U . . .
C116 C 0.5228(3) 0.7527(4) 0.4222(2) 0.0353(13) Uani 1 1 d . . . . .
H116 H 0.564599 0.751416 0.442320 0.042 Uiso 1 1 calc R U . . .
C117 C 0.4434(3) 0.7717(3) 0.4427(2) 0.0254(10) Uani 1 1 d . . . . .
C118 C 0.4256(3) 0.7830(3) 0.4947(2) 0.0263(11) Uani 1 1 d . . . . .
H118 H 0.467425 0.780247 0.515401 0.032 Uiso 1 1 calc R U . . .
C119 C 0.3492(3) 0.7979(3) 0.5151(2) 0.0234(10) Uani 1 1 d . . . . .
H119 H 0.337667 0.804566 0.550271 0.028 Uiso 1 1 calc R U . . .
C120 C 0.2874(3) 0.8033(3) 0.48403(19) 0.0178(9) Uani 1 1 d . . . . .
C121 C 0.2885(3) 0.5509(3) 0.5739(2) 0.0258(11) Uani 1 1 d . . . . .
C122 C 0.3338(3) 0.5780(3) 0.5982(2) 0.0318(12) Uani 1 1 d . . . . .
H122 H 0.314179 0.585755 0.632504 0.038 Uiso 1 1 calc R U . . .
C123 C 0.4078(3) 0.5940(4) 0.5732(3) 0.0377(14) Uani 1 1 d . . . . .
H123 H 0.437987 0.614148 0.589227 0.045 Uiso 1 1 calc R U . . .
C124 C 0.4362(3) 0.5799(4) 0.5247(3) 0.0398(14) Uani 1 1 d . . . . .
H124 H 0.487403 0.588894 0.507773 0.048 Uiso 1 1 calc R U . . .
C125 C 0.3915(3) 0.5530(3) 0.5004(2) 0.0323(12) Uani 1 1 d . . . . .
H125 H 0.412225 0.544496 0.466544 0.039 Uiso 1 1 calc R U . . .
C126 C 0.3162(3) 0.5378(3) 0.5242(2) 0.0268(11) Uani 1 1 d . . . . .
C127 C 0.2703(3) 0.5060(3) 0.4977(2) 0.0252(11) Uani 1 1 d . . . . .
C128 C 0.2263(3) 0.4551(3) 0.5263(2) 0.0241(10) Uani 1 1 d . . . . .
H128 H 0.199772 0.439670 0.504486 0.029 Uiso 1 1 calc R U . . .
C129 C 0.2140(3) 0.4204(3) 0.5870(2) 0.0256(10) Uani 1 1 d . . . . .
C130 C 0.2048(4) 0.3455(3) 0.6116(3) 0.0362(13) Uani 1 1 d . . . . .
H130 H 0.203413 0.319488 0.587682 0.043 Uiso 1 1 calc R U . . .
C131 C 0.1979(4) 0.3090(3) 0.6696(3) 0.0448(16) Uani 1 1 d . . . . .
H131 H 0.190667 0.259367 0.684958 0.054 Uiso 1 1 calc R U . . .
C132 C 0.2019(4) 0.3465(3) 0.7046(2) 0.0407(15) Uani 1 1 d . . . . .
H132 H 0.199840 0.321565 0.744121 0.049 Uiso 1 1 calc R U . . .
C133 C 0.2087(3) 0.4196(3) 0.6822(2) 0.0298(12) Uani 1 1 d . . . . .
H133 H 0.211398 0.444652 0.706487 0.036 Uiso 1 1 calc R U . . .
C134 C 0.2117(3) 0.4572(3) 0.6241(2) 0.0237(10) Uani 1 1 d . . . . .
C135 C 0.2798(3) 0.5302(3) 0.4349(2) 0.0269(11) Uani 1 1 d . . . . .
C136 C 0.2838(3) 0.4815(3) 0.4075(2) 0.0322(12) Uani 1 1 d . . . . .
H136 H 0.281582 0.431468 0.429000 0.039 Uiso 1 1 calc R U . . .
C137 C 0.2912(4) 0.5046(4) 0.3491(3) 0.0421(15) Uani 1 1 d . . . . .
H137 H 0.293436 0.470607 0.331032 0.051 Uiso 1 1 calc R U . . .
C138 C 0.2952(4) 0.5775(4) 0.3173(3) 0.0445(16) Uani 1 1 d . . . . .
H138 H 0.300901 0.593543 0.277438 0.053 Uiso 1 1 calc R U . . .
C139 C 0.2908(4) 0.6265(3) 0.3444(3) 0.0425(15) Uani 1 1 d . . . . .
H139 H 0.292734 0.676596 0.322676 0.051 Uiso 1 1 calc R U . . .
C140 C 0.2838(3) 0.6040(3) 0.4020(2) 0.0330(13) Uani 1 1 d . . . . .
H140 H 0.281587 0.638383 0.419807 0.040 Uiso 1 1 calc R U . . .
C141 C 0.0121(3) 0.5663(3) 0.67805(19) 0.0184(9) Uani 1 1 d . . . . .
C142 C -0.0031(3) 0.5819(3) 0.7278(2) 0.0214(10) Uani 1 1 d . . . . .
H142 H 0.039303 0.579541 0.747844 0.026 Uiso 1 1 calc R U . . .
C143 C -0.0804(3) 0.6006(3) 0.7472(2) 0.0227(10) Uani 1 1 d . . . . .
H143 H -0.091607 0.608978 0.781807 0.027 Uiso 1 1 calc R U . . .
C144 C -0.1434(3) 0.6075(3) 0.7159(2) 0.0233(10) Uani 1 1 d . . . . .
C145 C -0.2231(3) 0.6326(3) 0.7330(2) 0.0272(11) Uani 1 1 d . . . . .
H145 H -0.234716 0.641846 0.767214 0.033 Uiso 1 1 calc R U . . .
C146 C -0.2829(3) 0.6434(3) 0.7012(2) 0.0290(11) Uani 1 1 d . . . . .
H146 H -0.335898 0.660133 0.713178 0.035 Uiso 1 1 calc R U . . .
C147 C -0.2663(3) 0.6297(3) 0.6507(2) 0.0275(11) Uani 1 1 d . . . . .
H147 H -0.308250 0.638079 0.628341 0.033 Uiso 1 1 calc R U . . .
C148 C -0.1905(3) 0.6045(3) 0.6329(2) 0.0235(10) Uani 1 1 d . . . . .
H148 H -0.180777 0.595320 0.598607 0.028 Uiso 1 1 calc R U . . .
C149 C -0.1266(3) 0.5919(3) 0.6651(2) 0.0198(9) Uani 1 1 d . . . . .
C150 C -0.0460(3) 0.5660(3) 0.64769(19) 0.0193(9) Uani 1 1 d . . . . .
C151 C -0.0245(3) 0.5414(3) 0.59907(19) 0.0198(9) Uani 1 1 d . . . . .
C152 C -0.0626(3) 0.4892(3) 0.5918(2) 0.0231(10) Uani 1 1 d . . . . .
C153 C -0.1173(3) 0.4506(3) 0.6335(2) 0.0287(11) Uani 1 1 d . . . . .
H153 H -0.126535 0.456605 0.668963 0.034 Uiso 1 1 calc R U . . .
C154 C -0.1566(4) 0.4055(3) 0.6241(3) 0.0376(13) Uani 1 1 d . . . . .
H154 H -0.194073 0.381950 0.652314 0.045 Uiso 1 1 calc R U . . .
C155 C -0.1423(4) 0.3933(4) 0.5727(3) 0.0463(16) Uani 1 1 d . . . . .
H155 H -0.171227 0.362783 0.565976 0.056 Uiso 1 1 calc R U . . .
C156 C -0.0868(4) 0.4253(3) 0.5326(3) 0.0378(14) Uani 1 1 d . . . . .
H156 H -0.076112 0.415661 0.498529 0.045 Uiso 1 1 calc R U . . .
C157 C -0.0453(3) 0.4723(3) 0.5414(2) 0.0275(11) Uani 1 1 d . . . . .
C158 C 0.0134(3) 0.5051(3) 0.5002(2) 0.0269(11) Uani 1 1 d . . . . .
H158 H 0.024875 0.494997 0.466316 0.032 Uiso 1 1 calc R U . . .
C159 C 0.0532(3) 0.5508(3) 0.5089(2) 0.0229(10) Uani 1 1 d . . . . .
H159 H 0.093652 0.571008 0.481838 0.028 Uiso 1 1 calc R U . . .
C160 C 0.0343(3) 0.5680(3) 0.55831(19) 0.0184(9) Uani 1 1 d . . . . .
Rh3 Rh 0.73192(2) 0.12016(2) 0.23894(2) 0.01546(7) Uani 1 1 d . . . . .
Rh4 Rh 0.61958(2) 0.11887(2) 0.36794(2) 0.01688(7) Uani 1 1 d . . . . .
Cl3 Cl 0.66406(7) 0.20744(6) 0.28197(5) 0.0241(2) Uani 1 1 d . . . . .
Cl4 Cl 0.71626(7) 0.03117(6) 0.33402(4) 0.0191(2) Uani 1 1 d . . . . .
P5 P 0.78570(7) 0.03669(7) 0.20389(5) 0.0162(2) Uani 1 1 d . . . . .
P6 P 0.74348(7) 0.21074(7) 0.16131(5) 0.0161(2) Uani 1 1 d . . . . .
P7 P 0.59832(7) 0.03915(7) 0.45018(5) 0.0159(2) Uani 1 1 d . . . . .
P8 P 0.53277(7) 0.20618(7) 0.38251(6) 0.0223(3) Uani 1 1 d . . . . .
O9 O 0.75892(19) -0.04287(18) 0.23253(13) 0.0202(7) Uani 1 1 d . . . . .
O10 O 0.76621(19) 0.05760(19) 0.13934(13) 0.0201(7) Uani 1 1 d . . . . .
O11 O 0.82238(19) 0.19853(18) 0.12038(13) 0.0205(7) Uani 1 1 d . . . . .
O12 O 0.75139(19) 0.28722(18) 0.16633(13) 0.0193(7) Uani 1 1 d . . . . .
O13 O 0.67634(18) -0.02159(18) 0.47353(13) 0.0176(7) Uani 1 1 d . . . . .
O14 O 0.57608(19) 0.07491(19) 0.49940(13) 0.0201(7) Uani 1 1 d . . . . .
O15 O 0.45798(19) 0.1776(2) 0.42577(15) 0.0243(7) Uani 1 1 d . . . . .
O16 O 0.4864(2) 0.26559(19) 0.32958(15) 0.0255(8) Uani 1 1 d . . . . .
N5 N 0.8824(2) 0.0033(2) 0.21048(16) 0.0181(8) Uani 1 1 d . . . . .
N6 N 0.6647(2) 0.2474(2) 0.12364(17) 0.0201(8) Uani 1 1 d . . . . .
N7 N 0.5382(2) -0.0205(2) 0.46078(15) 0.0161(7) Uani 1 1 d . . . . .
N8 N 0.5645(3) 0.2692(3) 0.3967(2) 0.0309(10) Uani 1 1 d . . . . .
C161 C 0.9329(3) 0.0499(3) 0.21292(19) 0.0189(9) Uani 1 1 d . . . . .
C162 C 0.9178(3) 0.0776(3) 0.25580(19) 0.0202(9) Uani 1 1 d . . . . .
H162 H 0.876382 0.063636 0.284295 0.024 Uiso 1 1 calc R U . . .
C163 C 0.9627(3) 0.1257(3) 0.2576(2) 0.0255(10) Uani 1 1 d . . . . .
H163 H 0.951432 0.145461 0.286824 0.031 Uiso 1 1 calc R U . . .
C164 C 1.0239(3) 0.1446(3) 0.2167(2) 0.0261(11) Uani 1 1 d . . . . .
H164 H 1.054193 0.178252 0.217323 0.031 Uiso 1 1 calc R U . . .
C165 C 1.0413(3) 0.1147(3) 0.1750(2) 0.0253(10) Uani 1 1 d . . . . .
H165 H 1.084650 0.126950 0.147867 0.030 Uiso 1 1 calc R U . . .
C166 C 0.9962(3) 0.0665(3) 0.17170(19) 0.0206(9) Uani 1 1 d . . . . .
C167 C 1.0185(3) 0.0351(3) 0.1266(2) 0.0222(10) Uani 1 1 d . . . . .
C168 C 1.0081(3) -0.0315(3) 0.1308(2) 0.0237(10) Uani 1 1 d . . . . .
H168 H 1.023032 -0.043241 0.097643 0.028 Uiso 1 1 calc R U . . .
C169 C 0.9769(3) -0.0882(3) 0.1792(2) 0.0214(10) Uani 1 1 d . . . . .
C170 C 1.0059(3) -0.1618(3) 0.1867(2) 0.0290(11) Uani 1 1 d . . . . .
H170 H 1.042141 -0.174266 0.158518 0.035 Uiso 1 1 calc R U . . .
C171 C 0.9827(3) -0.2172(3) 0.2346(3) 0.0327(12) Uani 1 1 d . . . . .
H171 H 1.002273 -0.267210 0.238796 0.039 Uiso 1 1 calc R U . . .
C172 C 0.9309(3) -0.1996(3) 0.2766(2) 0.0295(11) Uani 1 1 d . . . . .
H172 H 0.916741 -0.237488 0.310136 0.035 Uiso 1 1 calc R U . . .
C173 C 0.9001(3) -0.1271(3) 0.2694(2) 0.0240(10) Uani 1 1 d . . . . .
H173 H 0.865323 -0.114829 0.298268 0.029 Uiso 1 1 calc R U . . .
C174 C 0.9201(3) -0.0718(3) 0.2198(2) 0.0216(10) Uani 1 1 d . . . . .
C175 C 1.0612(3) 0.0789(3) 0.0736(2) 0.0259(11) Uani 1 1 d . . . . .
C176 C 1.1347(3) 0.0472(4) 0.0538(2) 0.0322(12) Uani 1 1 d . . . . .
H176 H 1.157885 -0.001895 0.074220 0.039 Uiso 1 1 calc R U . . .
C177 C 1.1735(4) 0.0878(4) 0.0044(3) 0.0406(15) Uani 1 1 d . . . . .
H177 H 1.223318 0.065905 -0.008825 0.049 Uiso 1 1 calc R U . . .
C178 C 1.1415(4) 0.1587(4) -0.0258(2) 0.0416(15) Uani 1 1 d . . . . .
H178 H 1.168548 0.185685 -0.059722 0.050 Uiso 1 1 calc R U . . .
C179 C 1.0695(4) 0.1906(4) -0.0063(2) 0.0409(15) Uani 1 1 d . . . . .
H179 H 1.046467 0.239626 -0.027001 0.049 Uiso 1 1 calc R U . . .
C180 C 1.0304(3) 0.1508(3) 0.0440(2) 0.0325(12) Uani 1 1 d . . . . .
H180 H 0.981954 0.173784 0.057951 0.039 Uiso 1 1 calc R U . . .
C181 C 0.6890(3) -0.0558(3) 0.2231(2) 0.0226(10) Uani 1 1 d . . . . .
C182 C 0.6314(3) -0.0703(3) 0.2694(2) 0.0287(12) Uani 1 1 d . . . . .
H182 H 0.640403 -0.067923 0.303986 0.034 Uiso 1 1 calc R U . . .
C183 C 0.5623(3) -0.0878(3) 0.2637(3) 0.0387(15) Uani 1 1 d . . . . .
H183 H 0.524627 -0.100633 0.295173 0.046 Uiso 1 1 calc R U . . .
C184 C 0.5469(3) -0.0871(4) 0.2122(3) 0.0399(15) Uani 1 1 d . . . . .
C185 C 0.4728(4) -0.0988(5) 0.2046(4) 0.063(2) Uani 1 1 d . . . . .
H185 H 0.434255 -0.110586 0.235729 0.076 Uiso 1 1 calc R U . . .
C186 C 0.4566(5) -0.0933(6) 0.1544(5) 0.085(3) Uani 1 1 d . . . . .
H186 H 0.405778 -0.099629 0.150132 0.102 Uiso 1 1 calc R U . . .
C187 C 0.5123(5) -0.0784(6) 0.1071(4) 0.075(3) Uani 1 1 d . . . . .
H187 H 0.499498 -0.076341 0.072069 0.090 Uiso 1 1 calc R U . . .
C188 C 0.5853(4) -0.0668(4) 0.1120(3) 0.0517(18) Uani 1 1 d . . . . .
H188 H 0.622326 -0.054750 0.079941 0.062 Uiso 1 1 calc R U . . .
C189 C 0.6055(3) -0.0731(3) 0.1658(3) 0.0343(13) Uani 1 1 d . . . . .
C190 C 0.6810(3) -0.0600(3) 0.1720(2) 0.0240(10) Uani 1 1 d . . . . .
C191 C 0.7469(3) -0.0507(3) 0.1272(2) 0.0234(10) Uani 1 1 d . . . . .
C192 C 0.7740(3) -0.1027(3) 0.0985(2) 0.0288(11) Uani 1 1 d . . . . .
C193 C 0.7461(4) -0.1698(4) 0.1154(3) 0.0392(14) Uani 1 1 d . . . . .
H193 H 0.707715 -0.181788 0.146561 0.047 Uiso 1 1 calc R U . . .
C194 C 0.7742(4) -0.2172(4) 0.0871(3) 0.0506(18) Uani 1 1 d . . . . .
H194 H 0.755231 -0.262164 0.099319 0.061 Uiso 1 1 calc R U . . .
C195 C 0.8298(4) -0.2014(4) 0.0409(3) 0.0519(18) Uani 1 1 d . . . . .
H195 H 0.846442 -0.234106 0.020822 0.062 Uiso 1 1 calc R U . . .
C196 C 0.8598(4) -0.1398(4) 0.0249(3) 0.0418(15) Uani 1 1 d . . . . .
H196 H 0.898493 -0.129859 -0.006251 0.050 Uiso 1 1 calc R U . . .
C197 C 0.8348(3) -0.0887(3) 0.0535(2) 0.0321(12) Uani 1 1 d . . . . .
C198 C 0.8681(3) -0.0251(3) 0.0381(2) 0.0317(12) Uani 1 1 d . . . . .
H198 H 0.906438 -0.014478 0.006724 0.038 Uiso 1 1 calc R U . . .
C199 C 0.8462(3) 0.0213(3) 0.0674(2) 0.0264(11) Uani 1 1 d . . . . .
H199 H 0.870582 0.062861 0.057702 0.032 Uiso 1 1 calc R U . . .
C200 C 0.7868(3) 0.0069(3) 0.11227(19) 0.0201(9) Uani 1 1 d . . . . .
C201 C 0.6208(3) 0.2006(3) 0.1135(2) 0.0228(10) Uani 1 1 d . . . . .
C202 C 0.5820(3) 0.1528(3) 0.1584(2) 0.0248(10) Uani 1 1 d . . . . .
H202 H 0.585103 0.150494 0.195549 0.030 Uiso 1 1 calc R U . . .
C203 C 0.5389(3) 0.1083(3) 0.1497(3) 0.0349(13) Uani 1 1 d . . . . .
H203 H 0.513919 0.074209 0.180684 0.042 Uiso 1 1 calc R U . . .
C204 C 0.5325(3) 0.1141(3) 0.0951(3) 0.0372(13) Uani 1 1 d . . . . .
H204 H 0.501988 0.084682 0.088450 0.045 Uiso 1 1 calc R U . . .
C205 C 0.5704(3) 0.1627(3) 0.0505(2) 0.0323(12) Uani 1 1 d . . . . .
H205 H 0.565580 0.166002 0.013345 0.039 Uiso 1 1 calc R U . . .
C206 C 0.6159(3) 0.2074(3) 0.0580(2) 0.0244(10) Uani 1 1 d . . . . .
C207 C 0.6503(3) 0.2616(3) 0.0084(2) 0.0264(11) Uani 1 1 d . . . . .
C208 C 0.6527(3) 0.3300(3) 0.0055(2) 0.0291(11) Uani 1 1 d . . . . .
H208 H 0.676044 0.360485 -0.028616 0.035 Uiso 1 1 calc R U . . .
C209 C 0.6234(3) 0.3628(3) 0.0488(2) 0.0270(11) Uani 1 1 d . . . . .
C210 C 0.5865(4) 0.4372(3) 0.0329(3) 0.0386(14) Uani 1 1 d . . . . .
H210 H 0.585786 0.466464 -0.005881 0.046 Uiso 1 1 calc R U . . .
C211 C 0.5519(4) 0.4685(3) 0.0718(3) 0.0414(15) Uani 1 1 d . . . . .
H211 H 0.526688 0.518606 0.059838 0.050 Uiso 1 1 calc R U . . .
C212 C 0.5537(3) 0.4272(3) 0.1285(3) 0.0355(13) Uani 1 1 d . . . . .
H212 H 0.529185 0.448435 0.155755 0.043 Uiso 1 1 calc R U . . .
C213 C 0.5911(3) 0.3552(3) 0.1449(2) 0.0258(11) Uani 1 1 d . . . . .
H213 H 0.593059 0.326715 0.183827 0.031 Uiso 1 1 calc R U . . .
C214 C 0.6259(3) 0.3237(3) 0.1057(2) 0.0227(10) Uani 1 1 d . . . . .
C215 C 0.6788(3) 0.2418(3) -0.0424(2) 0.0310(12) Uani 1 1 d . . . . .
C216 C 0.6619(4) 0.2924(4) -0.0961(2) 0.0370(13) Uani 1 1 d . . . . .
H216 H 0.630388 0.339258 -0.099930 0.044 Uiso 1 1 calc R U . . .
C217 C 0.6905(5) 0.2751(4) -0.1434(3) 0.0500(18) Uani 1 1 d . . . . .
H217 H 0.679766 0.310710 -0.179429 0.060 Uiso 1 1 calc R U . . .
C218 C 0.7343(4) 0.2072(5) -0.1391(3) 0.0533(19) Uani 1 1 d . . . . .
H218 H 0.753255 0.195677 -0.172030 0.064 Uiso 1 1 calc R U . . .
C219 C 0.7506(4) 0.1554(4) -0.0865(3) 0.0505(18) Uani 1 1 d . . . . .
H219 H 0.780835 0.108252 -0.083055 0.061 Uiso 1 1 calc R U . . .
C220 C 0.7220(4) 0.1733(4) -0.0383(3) 0.0391(14) Uani 1 1 d . . . . .
H220 H 0.732617 0.137595 -0.002221 0.047 Uiso 1 1 calc R U . . .
C221 C 0.8452(3) 0.2569(3) 0.0743(2) 0.0252(11) Uani 1 1 d . . . . .
C222 C 0.8390(3) 0.2541(3) 0.0206(2) 0.0317(12) Uani 1 1 d . . . . .
H222 H 0.817805 0.216051 0.017668 0.038 Uiso 1 1 calc R U . . .
C223 C 0.8644(4) 0.3080(4) -0.0267(2) 0.0420(16) Uani 1 1 d . . . . .
H223 H 0.863626 0.305369 -0.062605 0.050 Uiso 1 1 calc R U . . .
C224 C 0.8914(3) 0.3665(4) -0.0226(2) 0.0426(16) Uani 1 1 d . . . . .
C225 C 0.9151(4) 0.4248(4) -0.0720(3) 0.056(2) Uani 1 1 d . . . . .
H225 H 0.915047 0.422388 -0.108131 0.067 Uiso 1 1 calc R U . . .
C226 C 0.9373(4) 0.4824(5) -0.0676(3) 0.070(3) Uani 1 1 d . . . . .
H226 H 0.953595 0.519927 -0.100585 0.084 Uiso 1 1 calc R U . . .
C227 C 0.9367(4) 0.4879(4) -0.0155(3) 0.061(2) Uani 1 1 d . . . . .
H227 H 0.950781 0.529920 -0.013350 0.073 Uiso 1 1 calc R U . . .
C228 C 0.9158(3) 0.4330(3) 0.0335(3) 0.0443(16) Uani 1 1 d . . . . .
H228 H 0.915479 0.437638 0.068854 0.053 Uiso 1 1 calc R U . . .
C229 C 0.8950(3) 0.3702(3) 0.0308(2) 0.0362(14) Uani 1 1 d . . . . .
C230 C 0.8746(3) 0.3108(3) 0.0810(2) 0.0268(11) Uani 1 1 d . . . . .
C231 C 0.8844(3) 0.3080(3) 0.1381(2) 0.0253(11) Uani 1 1 d . . . . .
C232 C 0.9563(3) 0.3153(3) 0.1536(2) 0.0318(12) Uani 1 1 d . . . . .
C233 C 1.0286(3) 0.3154(3) 0.1184(3) 0.0449(17) Uani 1 1 d . . . . .
H233 H 1.029660 0.312348 0.082362 0.054 Uiso 1 1 calc R U . . .
C234 C 1.0972(4) 0.3197(4) 0.1366(4) 0.059(2) Uani 1 1 d . . . . .
H234 H 1.145462 0.317944 0.113388 0.071 Uiso 1 1 calc R U . . .
C235 C 1.0967(4) 0.3267(4) 0.1886(4) 0.066(2) Uani 1 1 d . . . . .
H235 H 1.143792 0.332192 0.199473 0.079 Uiso 1 1 calc R U . . .
C236 C 1.0301(4) 0.3258(4) 0.2233(4) 0.055(2) Uani 1 1 d . . . . .
H236 H 1.030755 0.329878 0.258756 0.065 Uiso 1 1 calc R U . . .
C237 C 0.9588(4) 0.3188(3) 0.2075(3) 0.0378(14) Uani 1 1 d . . . . .
C238 C 0.8900(4) 0.3115(3) 0.2460(3) 0.0361(13) Uani 1 1 d . . . . .
H238 H 0.890662 0.315719 0.281435 0.043 Uiso 1 1 calc R U . . .
C239 C 0.8235(3) 0.2986(3) 0.2330(2) 0.0291(11) Uani 1 1 d . . . . .
H239 H 0.778755 0.291474 0.259730 0.035 Uiso 1 1 calc R U . . .
C240 C 0.8218(3) 0.2958(3) 0.1788(2) 0.0219(10) Uani 1 1 d . . . . .
C241 C 0.4779(3) -0.0049(2) 0.42381(18) 0.0156(8) Uani 1 1 d . . . . .
C242 C 0.5002(3) 0.0085(3) 0.36674(19) 0.0184(9) Uani 1 1 d . . . . .
H242 H 0.554528 0.006623 0.353318 0.022 Uiso 1 1 calc R U . . .
C243 C 0.4436(3) 0.0247(3) 0.32944(19) 0.0210(10) Uani 1 1 d . . . . .
H243 H 0.458777 0.036484 0.290370 0.025 Uiso 1 1 calc R U . . .
C244 C 0.3649(3) 0.0236(3) 0.34942(19) 0.0211(9) Uani 1 1 d . . . . .
H244 H 0.326114 0.033377 0.324247 0.025 Uiso 1 1 calc R U . . .
C245 C 0.3431(3) 0.0082(3) 0.40628(19) 0.0200(9) Uani 1 1 d . . . . .
H245 H 0.289109 0.006446 0.419612 0.024 Uiso 1 1 calc R U . . .
C246 C 0.3978(3) -0.0048(3) 0.44467(18) 0.0170(9) Uani 1 1 d . . . . .
C247 C 0.3688(3) -0.0174(3) 0.50461(18) 0.0167(9) Uani 1 1 d . . . . .
C248 C 0.4101(3) -0.0612(3) 0.54899(18) 0.0182(9) Uani 1 1 d . . . . .
H248 H 0.385297 -0.061692 0.584781 0.022 Uiso 1 1 calc R U . . .
C249 C 0.4873(3) -0.1075(3) 0.54921(18) 0.0183(9) Uani 1 1 d . . . . .
C250 C 0.5022(3) -0.1736(3) 0.5946(2) 0.0248(11) Uani 1 1 d . . . . .
H250 H 0.465167 -0.183459 0.626751 0.030 Uiso 1 1 calc R U . . .
C251 C 0.5699(3) -0.2247(3) 0.5933(2) 0.0274(11) Uani 1 1 d . . . . .
H251 H 0.579538 -0.268795 0.624855 0.033 Uiso 1 1 calc R U . . .
C252 C 0.6243(3) -0.2123(3) 0.5463(2) 0.0255(11) Uani 1 1 d . . . . .
H252 H 0.669206 -0.248885 0.544726 0.031 Uiso 1 1 calc R U . . .
C253 C 0.6125(3) -0.1465(3) 0.50203(19) 0.0202(9) Uani 1 1 d . . . . .
H253 H 0.649403 -0.137668 0.469797 0.024 Uiso 1 1 calc R U . . .
C254 C 0.5466(3) -0.0928(3) 0.50431(18) 0.0167(9) Uani 1 1 d . . . . .
C255 C 0.2849(3) 0.0164(3) 0.51614(18) 0.0176(9) Uani 1 1 d . . . . .
C256 C 0.2329(3) -0.0268(3) 0.55449(19) 0.0201(9) Uani 1 1 d . . . . .
H256 H 0.250646 -0.078054 0.572334 0.024 Uiso 1 1 calc R U . . .
C257 C 0.1556(3) 0.0044(3) 0.5667(2) 0.0238(10) Uani 1 1 d . . . . .
H257 H 0.121000 -0.025174 0.593235 0.029 Uiso 1 1 calc R U . . .
C258 C 0.1290(3) 0.0789(3) 0.5400(2) 0.0257(11) Uani 1 1 d . . . . .
H258 H 0.076015 0.100378 0.548093 0.031 Uiso 1 1 calc R U . . .
C259 C 0.1796(3) 0.1219(3) 0.5017(2) 0.0263(11) Uani 1 1 d . . . . .
H259 H 0.161367 0.172970 0.483683 0.032 Uiso 1 1 calc R U . . .
C260 C 0.2571(3) 0.0910(3) 0.4891(2) 0.0240(10) Uani 1 1 d . . . . .
H260 H 0.291101 0.120783 0.462141 0.029 Uiso 1 1 calc R U . . .
C261 C 0.7350(3) -0.0050(3) 0.49480(19) 0.0182(9) Uani 1 1 d . . . . .
C262 C 0.8085(3) -0.0001(3) 0.46217(19) 0.0205(10) Uani 1 1 d . . . . .
H262 H 0.815428 -0.005339 0.426480 0.025 Uiso 1 1 calc R U . . .
C263 C 0.8691(3) 0.0122(3) 0.48270(19) 0.0214(10) Uani 1 1 d . . . . .
H263 H 0.919599 0.012829 0.462094 0.026 Uiso 1 1 calc R U . . .
C264 C 0.8579(3) 0.0240(3) 0.53443(19) 0.0204(9) Uani 1 1 d . . . . .
C265 C 0.9190(3) 0.0427(3) 0.5543(2) 0.0256(11) Uani 1 1 d . . . . .
H265 H 0.969402 0.043929 0.533569 0.031 Uiso 1 1 calc R U . . .
C266 C 0.9069(3) 0.0588(3) 0.6021(2) 0.0276(11) Uani 1 1 d . . . . .
H266 H 0.948440 0.071001 0.614656 0.033 Uiso 1 1 calc R U . . .
C267 C 0.8321(3) 0.0571(3) 0.6330(2) 0.0258(11) Uani 1 1 d . . . . .
H267 H 0.823072 0.069284 0.666015 0.031 Uiso 1 1 calc R U . . .
C268 C 0.7726(3) 0.0383(3) 0.6158(2) 0.0229(10) Uani 1 1 d . . . . .
H268 H 0.722804 0.037143 0.637292 0.027 Uiso 1 1 calc R U . . .
C269 C 0.7833(3) 0.0202(3) 0.56631(19) 0.0199(9) Uani 1 1 d . . . . .
C270 C 0.7219(3) 0.0013(3) 0.54695(19) 0.0180(9) Uani 1 1 d . . . . .
C271 C 0.6440(3) -0.0083(3) 0.57988(19) 0.0195(9) Uani 1 1 d . . . . .
C272 C 0.6381(3) -0.0594(3) 0.63667(19) 0.0212(10) Uani 1 1 d . . . . .
C273 C 0.7045(3) -0.1096(3) 0.6623(2) 0.0243(10) Uani 1 1 d . . . . .
H273 H 0.755189 -0.108427 0.642046 0.029 Uiso 1 1 calc R U . . .
C274 C 0.6974(3) -0.1597(3) 0.7156(2) 0.0313(12) Uani 1 1 d . . . . .
H274 H 0.742538 -0.193994 0.731502 0.038 Uiso 1 1 calc R U . . .
C275 C 0.6225(4) -0.1605(4) 0.7470(2) 0.0391(15) Uani 1 1 d . . . . .
H275 H 0.617691 -0.193912 0.784535 0.047 Uiso 1 1 calc R U . . .
C276 C 0.5575(3) -0.1133(4) 0.7232(2) 0.0345(13) Uani 1 1 d . . . . .
H276 H 0.507498 -0.114869 0.744518 0.041 Uiso 1 1 calc R U . . .
C277 C 0.5622(3) -0.0621(3) 0.6678(2) 0.0254(11) Uani 1 1 d . . . . .
C278 C 0.4949(3) -0.0157(3) 0.6420(2) 0.0262(11) Uani 1 1 d . . . . .
H278 H 0.445014 -0.015134 0.663351 0.031 Uiso 1 1 calc R U . . .
C279 C 0.4998(3) 0.0285(3) 0.5870(2) 0.0238(10) Uani 1 1 d . . . . .
H279 H 0.453551 0.058133 0.569547 0.029 Uiso 1 1 calc R U . . .
C280 C 0.5748(3) 0.0295(3) 0.55622(19) 0.0201(9) Uani 1 1 d . . . . .
C281 C 0.6238(3) 0.2480(3) 0.4359(2) 0.0283(11) Uani 1 1 d . . . . .
C282 C 0.7004(3) 0.2162(3) 0.4230(3) 0.0304(12) Uani 1 1 d . . . . .
H282 H 0.713676 0.207561 0.388587 0.037 Uiso 1 1 calc R U . . .
C283 C 0.7578(3) 0.1969(3) 0.4604(3) 0.0360(13) Uani 1 1 d . . . . .
H283 H 0.810226 0.175115 0.451530 0.043 Uiso 1 1 calc R U . . .
C284 C 0.7384(4) 0.2095(3) 0.5104(3) 0.0370(13) Uani 1 1 d . . . . .
H284 H 0.777130 0.195542 0.536405 0.044 Uiso 1 1 calc R U . . .
C285 C 0.6617(4) 0.2426(4) 0.5225(3) 0.0406(15) Uani 1 1 d . . . . .
H285 H 0.649096 0.251836 0.556791 0.049 Uiso 1 1 calc R U . . .
C286 C 0.6026(3) 0.2629(3) 0.4855(3) 0.0347(13) Uani 1 1 d . . . . .
C287 C 0.5209(4) 0.3018(3) 0.4983(2) 0.0332(13) Uani 1 1 d . . . . .
C288 C 0.4814(3) 0.3594(3) 0.4572(3) 0.0333(12) Uani 1 1 d . . . . .
H288 H 0.430782 0.380955 0.469474 0.040 Uiso 1 1 calc R U . . .
C289 C 0.5050(4) 0.3922(3) 0.3985(3) 0.0368(13) Uani 1 1 d . . . . .
C290 C 0.4857(4) 0.4687(3) 0.3707(3) 0.0415(15) Uani 1 1 d . . . . .
H290 H 0.455634 0.499009 0.390471 0.050 Uiso 1 1 calc R U . . .
C291 C 0.5108(5) 0.4994(4) 0.3148(3) 0.0509(18) Uani 1 1 d . . . . .
H291 H 0.498546 0.551122 0.296350 0.061 Uiso 1 1 calc R U . . .
C292 C 0.5532(4) 0.4567(4) 0.2851(3) 0.0472(16) Uani 1 1 d . . . . .
H292 H 0.569881 0.478956 0.246544 0.057 Uiso 1 1 calc R U . . .
C293 C 0.5718(4) 0.3808(3) 0.3115(3) 0.0371(14) Uani 1 1 d . . . . .
H293 H 0.601695 0.350941 0.291312 0.045 Uiso 1 1 calc R U . . .
C294 C 0.5461(3) 0.3497(3) 0.3674(3) 0.0308(12) Uani 1 1 d . . . . .
C295 C 0.4880(3) 0.2769(4) 0.5570(3) 0.0355(13) Uani 1 1 d . . . . .
C296 C 0.4373(4) 0.3263(4) 0.5802(3) 0.0438(15) Uani 1 1 d . . . . .
H296 H 0.427531 0.377200 0.558357 0.053 Uiso 1 1 calc R U . . .
C297 C 0.4016(4) 0.3016(4) 0.6343(3) 0.0496(17) Uani 1 1 d . . . . .
H297 H 0.365953 0.335328 0.648656 0.060 Uiso 1 1 calc R U . . .
C298 C 0.4176(4) 0.2275(4) 0.6679(3) 0.0489(18) Uani 1 1 d . . . . .
H298 H 0.394900 0.210662 0.705563 0.059 Uiso 1 1 calc R U . . .
C299 C 0.4674(5) 0.1789(4) 0.6452(3) 0.0503(18) Uani 1 1 d . . . . .
H299 H 0.477043 0.127906 0.666804 0.060 Uiso 1 1 calc R U . . .
C300 C 0.5030(4) 0.2042(3) 0.5913(3) 0.0368(14) Uani 1 1 d . . . . .
H300 H 0.539189 0.170344 0.577356 0.044 Uiso 1 1 calc R U . . .
C301 C 0.3848(3) 0.2230(3) 0.4294(2) 0.0279(11) Uani 1 1 d . . . . .
C302 C 0.3614(3) 0.2305(4) 0.4820(3) 0.0371(14) Uani 1 1 d . . . . .
H302 H 0.397117 0.211138 0.510552 0.044 Uiso 1 1 calc R U . . .
C303 C 0.2863(4) 0.2660(4) 0.4916(3) 0.0465(18) Uani 1 1 d . . . . .
H303 H 0.268785 0.268238 0.527875 0.056 Uiso 1 1 calc R U . . .
C304 C 0.2352(3) 0.2991(3) 0.4486(3) 0.0421(16) Uani 1 1 d . . . . .
C305 C 0.1575(4) 0.3383(4) 0.4578(4) 0.057(2) Uani 1 1 d . . . . .
H305 H 0.138516 0.338717 0.494389 0.069 Uiso 1 1 calc R U . . .
C306 C 0.1109(4) 0.3748(4) 0.4148(4) 0.067(3) Uani 1 1 d . . . . .
H306 H 0.059141 0.399880 0.421358 0.081 Uiso 1 1 calc R U . . .
C307 C 0.1391(4) 0.3755(4) 0.3606(4) 0.057(2) Uani 1 1 d . . . . .
H307 H 0.107488 0.403516 0.330074 0.069 Uiso 1 1 calc R U . . .
C308 C 0.2112(4) 0.3367(3) 0.3512(4) 0.0481(18) Uani 1 1 d . . . . .
H308 H 0.228671 0.336872 0.314265 0.058 Uiso 1 1 calc R U . . .
C309 C 0.2607(3) 0.2961(3) 0.3949(3) 0.0378(14) Uani 1 1 d . . . . .
C310 C 0.3363(3) 0.2511(3) 0.3869(2) 0.0266(11) Uani 1 1 d . . . . .
C311 C 0.3596(3) 0.2345(3) 0.3342(2) 0.0246(10) Uani 1 1 d . . . . .
C312 C 0.3091(3) 0.2092(3) 0.3092(2) 0.0273(11) Uani 1 1 d . . . . .
C313 C 0.2351(3) 0.1906(3) 0.3355(2) 0.0283(11) Uani 1 1 d . . . . .
H313 H 0.216474 0.196192 0.370649 0.034 Uiso 1 1 calc R U . . .
C314 C 0.1897(3) 0.1648(3) 0.3110(2) 0.0351(13) Uani 1 1 d . . . . .
H314 H 0.140542 0.151943 0.329772 0.042 Uiso 1 1 calc R U . . .
C315 C 0.2145(4) 0.1569(4) 0.2585(3) 0.0415(15) Uani 1 1 d . . . . .
H315 H 0.181969 0.139945 0.241599 0.050 Uiso 1 1 calc R U . . .
C316 C 0.2862(3) 0.1741(3) 0.2321(2) 0.0368(13) Uani 1 1 d . . . . .
H316 H 0.303463 0.168602 0.196744 0.044 Uiso 1 1 calc R U . . .
C317 C 0.3350(3) 0.1999(3) 0.2565(2) 0.0309(12) Uani 1 1 d . . . . .
C318 C 0.4106(3) 0.2130(3) 0.2302(2) 0.0322(12) Uani 1 1 d . . . . .
H318 H 0.426984 0.208250 0.194609 0.039 Uiso 1 1 calc R U . . .
C319 C 0.4592(3) 0.2321(3) 0.2555(2) 0.0312(12) Uani 1 1 d . . . . .
H319 H 0.510817 0.239001 0.238262 0.037 Uiso 1 1 calc R U . . .
C320 C 0.4344(3) 0.2418(3) 0.3071(2) 0.0253(10) Uani 1 1 d . . . . .
C401 C 0.6905(6) 0.1741(7) 0.7139(5) 0.096(4) Uani 1 1 d . . . . .
H401 H 0.636617 0.182662 0.706614 0.116 Uiso 1 1 calc R U . . .
C402 C 0.7415(6) 0.2252(5) 0.6812(5) 0.081(3) Uani 1 1 d . . . . .
H402 H 0.722147 0.269147 0.651841 0.098 Uiso 1 1 calc R U . . .
C403 C 0.8178(5) 0.2092(4) 0.6933(4) 0.063(2) Uani 1 1 d . . . . .
H403 H 0.852463 0.242029 0.671565 0.075 Uiso 1 1 calc R U . . .
C404 C 0.8466(5) 0.1464(4) 0.7363(3) 0.058(2) Uani 1 1 d . . . . .
H404 H 0.900165 0.137310 0.744286 0.070 Uiso 1 1 calc R U . . .
C405 C 0.7989(6) 0.0975(5) 0.7674(3) 0.062(2) Uani 1 1 d . . . . .
H405 H 0.819076 0.053876 0.796558 0.074 Uiso 1 1 calc R U . . .
C406 C 0.7225(6) 0.1118(5) 0.7563(4) 0.071(3) Uani 1 1 d . . . . .
H406 H 0.689418 0.077648 0.778560 0.085 Uiso 1 1 calc R U . . .
C411 C 1.0157(4) 0.3789(4) 0.7963(3) 0.0429(15) Uani 1 1 d . . . . .
H411 H 1.049213 0.414423 0.782040 0.052 Uiso 1 1 calc R U . . .
C412 C 1.0453(4) 0.3075(4) 0.8307(3) 0.0452(16) Uani 1 1 d . . . . .
H412 H 1.098642 0.294484 0.840051 0.054 Uiso 1 1 calc R U . . .
C413 C 0.9964(4) 0.2562(3) 0.8511(2) 0.0406(15) Uani 1 1 d . . . . .
H413 H 1.016272 0.207422 0.874177 0.049 Uiso 1 1 calc R U . . .
C414 C 0.9192(4) 0.2752(4) 0.8381(3) 0.0447(16) Uani 1 1 d . . . . .
H414 H 0.885579 0.239748 0.852592 0.054 Uiso 1 1 calc R U . . .
C415 C 0.8901(4) 0.3463(4) 0.8038(3) 0.0480(16) Uani 1 1 d . . . . .
H415 H 0.836698 0.359415 0.794699 0.058 Uiso 1 1 calc R U . . .
C416 C 0.9389(4) 0.3981(4) 0.7829(3) 0.0418(15) Uani 1 1 d . . . . .
H416 H 0.919247 0.446774 0.759426 0.050 Uiso 1 1 calc R U . . .
C421 C 0.2954(4) 0.1818(4) 0.8204(3) 0.0490(17) Uani 1 1 d . . . . .
H421 H 0.303538 0.229883 0.797155 0.059 Uiso 1 1 calc R U . . .
C422 C 0.3493(4) 0.1369(4) 0.8574(3) 0.0524(18) Uani 1 1 d . . . . .
H422 H 0.395084 0.153821 0.859408 0.063 Uiso 1 1 calc R U . . .
C423 C 0.3382(4) 0.0675(4) 0.8918(3) 0.0427(15) Uani 1 1 d . . . . .
H423 H 0.376221 0.036780 0.917478 0.051 Uiso 1 1 calc R U . . .
C424 C 0.2724(4) 0.0426(3) 0.8891(2) 0.0351(13) Uani 1 1 d . . . . .
H424 H 0.264480 -0.005384 0.912878 0.042 Uiso 1 1 calc R U . . .
C425 C 0.2174(4) 0.0876(3) 0.8517(3) 0.0378(14) Uani 1 1 d . . . . .
H425 H 0.171519 0.070434 0.850039 0.045 Uiso 1 1 calc R U . . .
C426 C 0.2286(4) 0.1575(4) 0.8165(3) 0.0416(15) Uani 1 1 d . . . . .
H426 H 0.191378 0.188048 0.790211 0.050 Uiso 1 1 calc R U . . .
C431 C 0.4638(6) 0.2888(5) 0.8572(4) 0.075(3) Uani 1 1 d . . . . .
H431 H 0.485738 0.266910 0.892538 0.090 Uiso 1 1 calc R U . . .
C432 C 0.3893(5) 0.3326(5) 0.8526(4) 0.061(2) Uani 1 1 d . . . . .
H432 H 0.359041 0.340300 0.884649 0.074 Uiso 1 1 calc R U . . .
C433 C 0.3603(5) 0.3646(4) 0.8009(4) 0.058(2) Uani 1 1 d . . . . .
H433 H 0.309378 0.394845 0.797280 0.069 Uiso 1 1 calc R U . . .
C434 C 0.4027(5) 0.3540(5) 0.7544(4) 0.060(2) Uani 1 1 d . . . . .
H434 H 0.381885 0.377792 0.718732 0.072 Uiso 1 1 calc R U . . .
C435 C 0.4762(5) 0.3085(5) 0.7594(4) 0.061(2) Uani 1 1 d . . . . .
H435 H 0.504852 0.299805 0.727212 0.073 Uiso 1 1 calc R U . . .
C436 C 0.5073(5) 0.2768(5) 0.8090(4) 0.067(2) Uani 1 1 d . . . . .
H436 H 0.558174 0.246308 0.811890 0.080 Uiso 1 1 calc R U . . .
C441 C 0.0223(4) 0.2452(4) 0.7048(3) 0.0508(17) Uani 1 1 d . . . . .
H441 H 0.000513 0.283018 0.719629 0.061 Uiso 1 1 calc R U . . .
C442 C 0.0251(4) 0.2603(4) 0.6479(3) 0.0496(17) Uani 1 1 d . . . . .
H442 H 0.005637 0.308470 0.623436 0.060 Uiso 1 1 calc R U . . .
C443 C 0.0564(4) 0.2048(5) 0.6266(3) 0.0551(19) Uani 1 1 d . . . . .
H443 H 0.057909 0.214811 0.587425 0.066 Uiso 1 1 calc R U . . .
C444 C 0.0857(4) 0.1346(4) 0.6622(3) 0.0517(18) Uani 1 1 d . . . . .
H444 H 0.106879 0.096706 0.647456 0.062 Uiso 1 1 calc R U . . .
C445 C 0.0839(4) 0.1200(4) 0.7193(3) 0.0497(17) Uani 1 1 d . . . . .
H445 H 0.105109 0.072268 0.743590 0.060 Uiso 1 1 calc R U . . .
C446 C 0.0514(4) 0.1748(4) 0.7407(3) 0.0487(17) Uani 1 1 d . . . . .
H446 H 0.048747 0.164516 0.779975 0.058 Uiso 1 1 calc R U . . .
C451 C 0.6271(6) 0.4443(7) 0.5241(6) 0.104(3) Uani 1 1 d . U . . .
H451 H 0.623807 0.422056 0.497975 0.125 Uiso 1 1 calc R U . . .
C452 C 0.6027(6) 0.4126(7) 0.5806(6) 0.102(3) Uani 1 1 d . U . . .
H452 H 0.583439 0.367770 0.593134 0.123 Uiso 1 1 calc R U . . .
C453 C 0.6057(6) 0.4447(6) 0.6191(6) 0.095(3) Uani 1 1 d . U . . .
H453 H 0.586607 0.423282 0.657281 0.114 Uiso 1 1 calc R U . . .
C454 C 0.6363(6) 0.5076(6) 0.6016(5) 0.087(3) Uani 1 1 d . U . . .
H454 H 0.641558 0.526995 0.629084 0.104 Uiso 1 1 calc R U . . .
C455 C 0.6602(5) 0.5449(7) 0.5458(5) 0.087(3) Uani 1 1 d . U . . .
H455 H 0.677298 0.590450 0.535024 0.105 Uiso 1 1 calc R U . . .
C456 C 0.6584(7) 0.5134(8) 0.5054(6) 0.111(3) Uani 1 1 d . U . . .
H456 H 0.676742 0.535999 0.467210 0.133 Uiso 1 1 calc R U . . .
C461 C 0.2131(3) 0.7591(4) 0.1961(2) 0.077(2) Uani 1 1 d G U . . .
H461 H 0.197525 0.740931 0.235230 0.093 Uiso 1 1 calc R U . . .
C462 C 0.2577(4) 0.8147(4) 0.1744(3) 0.088(3) Uani 1 1 d G U . . .
H462 H 0.272620 0.834548 0.198644 0.105 Uiso 1 1 calc R U . . .
C463 C 0.2806(3) 0.8413(3) 0.1171(3) 0.095(3) Uani 1 1 d G U . . .
H463 H 0.311063 0.879283 0.102256 0.114 Uiso 1 1 calc R U . . .
C464 C 0.2588(4) 0.8122(4) 0.0816(2) 0.091(3) Uani 1 1 d G U . . .
H464 H 0.274413 0.830402 0.042453 0.110 Uiso 1 1 calc R U . . .
C465 C 0.2142(3) 0.7566(3) 0.1033(2) 0.069(2) Uani 1 1 d G U . . .
H465 H 0.199319 0.736785 0.079037 0.083 Uiso 1 1 calc R U . . .
C466 C 0.1914(3) 0.7301(3) 0.1606(2) 0.064(2) Uani 1 1 d G U . . .
H466 H 0.160874 0.692049 0.175425 0.077 Uiso 1 1 calc R U . . .
C471 C 0.4913(7) 0.6149(6) 0.1591(5) 0.097(3) Uani 1 1 d . U . . .
H471 H 0.467971 0.573753 0.164702 0.116 Uiso 1 1 calc R U . . .
C472 C 0.4472(7) 0.6697(5) 0.1771(4) 0.083(3) Uani 1 1 d . U . . .
H472 H 0.397306 0.666229 0.198308 0.099 Uiso 1 1 calc R U . . .
C473 C 0.4820(8) 0.7290(7) 0.1617(6) 0.112(3) Uani 1 1 d . U . . .
H473 H 0.459027 0.766822 0.176327 0.135 Uiso 1 1 calc R U . . .
C474 C 0.5554(8) 0.7373(8) 0.1225(6) 0.118(4) Uani 1 1 d . U . . .
H474 H 0.574083 0.782534 0.105674 0.142 Uiso 1 1 calc R U . . .
C475 C 0.5936(8) 0.6752(7) 0.1128(7) 0.118(4) Uani 1 1 d . U . . .
H475 H 0.642425 0.675072 0.090060 0.141 Uiso 1 1 calc R U . . .
C476 C 0.5627(6) 0.6159(6) 0.1349(6) 0.098(3) Uani 1 1 d . U . . .
H476 H 0.594043 0.571050 0.133149 0.117 Uiso 1 1 calc R U . . .
C481 C 0.7346(8) 0.6078(8) 0.3286(6) 0.119(4) Uani 1 1 d . U . . .
H481 H 0.764481 0.570807 0.357282 0.142 Uiso 1 1 calc R U . . .
C482 C 0.7554(7) 0.6799(6) 0.3032(5) 0.103(4) Uani 1 1 d . . . . .
H482 H 0.798852 0.690019 0.315345 0.123 Uiso 1 1 calc R U . . .
C483 C 0.7107(8) 0.7368(7) 0.2596(5) 0.098(4) Uani 1 1 d . . . . .
H483 H 0.722389 0.784990 0.243298 0.118 Uiso 1 1 calc R U . . .
C484 C 0.6502(6) 0.7176(7) 0.2426(4) 0.085(3) Uani 1 1 d . . . . .
H484 H 0.621864 0.753525 0.212519 0.102 Uiso 1 1 calc R U . . .
C485 C 0.6288(7) 0.6506(8) 0.2663(5) 0.107(4) Uani 1 1 d . . . . .
H485 H 0.585585 0.641243 0.253386 0.128 Uiso 1 1 calc R U . . .
C486 C 0.6724(7) 0.5923(8) 0.3118(7) 0.123(5) Uani 1 1 d . . . . .
H486 H 0.657617 0.545288 0.328918 0.147 Uiso 1 1 calc R U . . .
C491 C 0.3315(5) 0.4207(4) 0.2159(3) 0.061(2) Uani 1 1 d . . . . .
H491 H 0.368091 0.379621 0.236277 0.073 Uiso 1 1 calc R U . . .
C492 C 0.3434(4) 0.4893(4) 0.2052(3) 0.0528(18) Uani 1 1 d . . . . .
H492 H 0.388061 0.496087 0.218286 0.063 Uiso 1 1 calc R U . . .
C493 C 0.2905(5) 0.5503(4) 0.1749(3) 0.0535(18) Uani 1 1 d . . . . .
H493 H 0.299949 0.598555 0.165786 0.064 Uiso 1 1 calc R U . . .
C494 C 0.2247(4) 0.5393(4) 0.1587(3) 0.0483(17) Uani 1 1 d . . . . .
H494 H 0.187173 0.580429 0.139493 0.058 Uiso 1 1 calc R U . . .
C495 C 0.2123(5) 0.4705(5) 0.1696(4) 0.065(2) Uani 1 1 d . . . . .
H495 H 0.166466 0.463513 0.157994 0.079 Uiso 1 1 calc R U . . .
C496 C 0.2675(6) 0.4098(5) 0.1980(4) 0.083(3) Uani 1 1 d . . . . .
H496 H 0.260464 0.361429 0.204673 0.099 Uiso 1 1 calc R U . . .
C501 C 0.7313(6) 0.4708(5) 0.1728(5) 0.085(3) Uani 1 1 d . U . . .
H501 H 0.702679 0.431428 0.188499 0.102 Uiso 1 1 calc R U . . .
C502 C 0.7488(7) 0.5015(7) 0.2067(7) 0.114(4) Uani 1 1 d . U . . .
H502 H 0.731585 0.484038 0.245560 0.136 Uiso 1 1 calc R U . . .
C503 C 0.7915(8) 0.5583(8) 0.1858(7) 0.123(4) Uani 1 1 d . U . . .
H503 H 0.804190 0.580980 0.208942 0.148 Uiso 1 1 calc R U . . .
C504 C 0.8163(8) 0.5816(7) 0.1236(7) 0.116(4) Uani 1 1 d . U . . .
H504 H 0.847344 0.619033 0.106973 0.139 Uiso 1 1 calc R U . . .
C505 C 0.7962(8) 0.5516(7) 0.0922(7) 0.123(4) Uani 1 1 d . U . . .
H505 H 0.810871 0.569026 0.052919 0.147 Uiso 1 1 calc R U . . .
C506 C 0.7540(7) 0.4950(7) 0.1150(6) 0.111(4) Uani 1 1 d . U . . .
H506 H 0.740553 0.472796 0.091851 0.133 Uiso 1 1 calc R U . . .
C511 C 0.0854(5) 0.6028(4) 0.3340(3) 0.0559(19) Uani 1 1 d . . . . .
H511 H 0.127620 0.615635 0.345301 0.067 Uiso 1 1 calc R U . . .
C512 C 0.0105(5) 0.6132(4) 0.3595(3) 0.058(2) Uani 1 1 d . . . . .
H512 H 0.000987 0.633773 0.388172 0.070 Uiso 1 1 calc R U . . .
C513 C -0.0497(6) 0.5945(6) 0.3444(4) 0.074(3) Uani 1 1 d . . . . .
H513 H -0.101174 0.600962 0.362942 0.089 Uiso 1 1 calc R U . . .
C514 C -0.0372(6) 0.5665(6) 0.3026(5) 0.089(3) Uani 1 1 d . . . . .
H514 H -0.079857 0.553890 0.291535 0.107 Uiso 1 1 calc R U . . .
C515 C 0.0394(6) 0.5561(5) 0.2757(3) 0.068(2) Uani 1 1 d . . . . .
H515 H 0.048666 0.536821 0.246260 0.081 Uiso 1 1 calc R U . . .
C516 C 0.0996(5) 0.5739(4) 0.2922(3) 0.0555(19) Uani 1 1 d . . . . .
H516 H 0.151650 0.566291 0.274771 0.067 Uiso 1 1 calc R U . . .
C521 C 0.6604(4) 0.6139(4) 0.9751(2) 0.121(5) Uani 1 1 d G U . . .
H521 H 0.637376 0.585351 1.010222 0.146 Uiso 1 1 calc R U . . .
C522 C 0.7259(4) 0.5816(3) 0.9485(3) 0.089(3) Uani 1 1 d G . . . .
H522 H 0.747587 0.531068 0.965414 0.106 Uiso 1 1 calc R U . . .
C523 C 0.7597(3) 0.6234(3) 0.8971(2) 0.064(2) Uani 1 1 d G . . . .
H523 H 0.804411 0.601342 0.878886 0.077 Uiso 1 1 calc R U . . .
C524 C 0.7280(3) 0.6974(3) 0.87229(19) 0.068(2) Uani 1 1 d G . . . .
H524 H 0.751026 0.725900 0.837166 0.082 Uiso 1 1 calc R U . . .
C525 C 0.6625(4) 0.7296(3) 0.8989(3) 0.072(3) Uani 1 1 d G . . . .
H525 H 0.640815 0.780185 0.881973 0.087 Uiso 1 1 calc R U . . .
C526 C 0.6287(4) 0.6879(4) 0.9503(3) 0.110(4) Uani 1 1 d G . . . .
H526 H 0.583989 0.709912 0.968500 0.132 Uiso 1 1 calc R U . . .
C531 C 0.5645(6) 0.9777(7) 0.8840(5) 0.090(3) Uani 1 1 d . U . . .
H531 H 0.540662 0.965270 0.858967 0.108 Uiso 1 1 calc R U . . .
C532 C 0.6015(5) 0.9235(6) 0.9287(4) 0.079(3) Uani 1 1 d . U . . .
H532 H 0.603361 0.873458 0.934263 0.095 Uiso 1 1 calc R U . . .
C533 C 0.6356(5) 0.9407(5) 0.9655(4) 0.069(2) Uani 1 1 d . U . . .
H533 H 0.660820 0.902999 0.996261 0.083 Uiso 1 1 calc R U . . .
C534 C 0.6327(6) 1.0124(6) 0.9570(4) 0.083(3) Uani 1 1 d . U . . .
H534 H 0.655779 1.025103 0.982215 0.100 Uiso 1 1 calc R U . . .
C535 C 0.5966(6) 1.0665(7) 0.9125(5) 0.097(3) Uani 1 1 d . U . . .
H535 H 0.595315 1.116467 0.906965 0.116 Uiso 1 1 calc R U . . .
C536 C 0.5627(5) 1.0499(7) 0.8761(4) 0.093(3) Uani 1 1 d . U . . .
H536 H 0.537798 1.087998 0.845368 0.112 Uiso 1 1 calc R U . . .
C541 C 0.2791(6) 0.1313(7) 0.1006(4) 0.089(3) Uani 1 1 d . U . . .
H541 H 0.246382 0.125553 0.134757 0.106 Uiso 1 1 calc R U . . .
C542 C 0.3160(7) 0.0739(7) 0.0895(4) 0.093(3) Uani 1 1 d . U . . .
H542 H 0.311171 0.026564 0.116298 0.111 Uiso 1 1 calc R U . . .
C543 C 0.3626(7) 0.0795(7) 0.0396(5) 0.092(3) Uani 1 1 d . U . . .
H543 H 0.389006 0.036424 0.032302 0.111 Uiso 1 1 calc R U . . .
C544 C 0.3702(6) 0.1465(7) 0.0015(4) 0.082(3) Uani 1 1 d . U . . .
H544 H 0.400703 0.151255 -0.033390 0.098 Uiso 1 1 calc R U . . .
C545 C 0.3329(7) 0.2081(7) 0.0141(4) 0.091(3) Uani 1 1 d . U . . .
H545 H 0.339697 0.255466 -0.011664 0.109 Uiso 1 1 calc R U . . .
C546 C 0.2864(7) 0.2015(8) 0.0632(5) 0.100(3) Uani 1 1 d . U . . .
H546 H 0.259865 0.243746 0.071661 0.120 Uiso 1 1 calc R U . . .
C551 C 0.7443(13) 0.4130(14) 0.3880(12) 0.132(8) Uani 0.5 1 d D U P . .
H55A H 0.704617 0.439864 0.408112 0.198 Uiso 0.5 1 calc R U P . .
H55B H 0.753866 0.445356 0.349002 0.198 Uiso 0.5 1 calc R U P . .
H55C H 0.725036 0.370328 0.388525 0.198 Uiso 0.5 1 calc R U P . .
C552 C 0.8210(14) 0.3874(15) 0.4165(12) 0.146(8) Uani 0.5 1 d D U P . .
H55D H 0.802754 0.360406 0.455818 0.175 Uiso 0.5 1 calc R U P . .
H55E H 0.830993 0.433895 0.417106 0.175 Uiso 0.5 1 calc R U P . .
C553 C 0.9051(13) 0.3451(12) 0.4115(12) 0.151(8) Uani 0.5 1 d D U P . .
H55F H 0.938848 0.375890 0.416198 0.181 Uiso 0.5 1 calc R U P . .
H55G H 0.914491 0.350317 0.371333 0.181 Uiso 0.5 1 calc R U P . .
C554 C 0.9478(13) 0.2624(12) 0.4439(10) 0.139(7) Uani 0.5 1 d D U P . .
H55H H 0.976972 0.265531 0.472617 0.166 Uiso 0.5 1 calc R U P . .
H55I H 0.904490 0.235544 0.464894 0.166 Uiso 0.5 1 calc R U P . .
C555 C 1.0055(13) 0.2102(13) 0.4172(13) 0.144(10) Uani 0.5 1 d D U P . .
H55J H 1.022515 0.163112 0.446784 0.217 Uiso 0.5 1 calc R U P . .
H55K H 0.978478 0.202137 0.390131 0.217 Uiso 0.5 1 calc R U P . .
H55L H 1.051780 0.232463 0.397942 0.217 Uiso 0.5 1 calc R U P . .


_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 2.4169(12) . ?
Rh1 Cl2 2.4399(11) . ?
Rh1 P1 2.1485(13) . ?
Rh1 P2 2.1511(12) . ?
Rh2 Cl1 2.4107(12) . ?
Rh2 Cl2 2.4675(12) . ?
Rh2 P3 2.1564(12) . ?
Rh2 P4 2.1367(12) . ?
P1 O1 1.631(3) . ?
P1 O2 1.623(3) . ?
P1 N1 1.677(4) . ?
P2 O3 1.615(4) . ?
P2 O4 1.628(4) . ?
P2 N2 1.679(4) . ?
P3 O5 1.633(3) . ?
P3 O6 1.625(3) . ?
P3 N3 1.673(4) . ?
P4 O7 1.623(3) . ?
P4 O8 1.627(3) . ?
P4 N4 1.659(4) . ?
O1 C21 1.394(6) . ?
O2 C40 1.395(5) . ?
O3 C61 1.390(6) . ?
O4 C80 1.398(6) . ?
O5 C101 1.402(5) . ?
O6 C120 1.394(5) . ?
O7 C141 1.395(5) . ?
O8 C160 1.391(6) . ?
N1 C1 1.434(6) . ?
N1 C14 1.437(6) . ?
N2 C41 1.435(6) . ?
N2 C54 1.441(7) . ?
N3 C81 1.440(5) . ?
N3 C94 1.446(6) . ?
N4 C121 1.444(6) . ?
N4 C134 1.444(6) . ?
C1 C2 1.394(7) . ?
C1 C6 1.410(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.392(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.404(7) . ?
C6 C7 1.471(7) . ?
C7 C8 1.339(8) . ?
C7 C15 1.498(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.466(7) . ?
C9 C10 1.406(7) . ?
C9 C14 1.398(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(8) . ?
C11 H11 0.9500 . ?
C11 C12 1.378(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.382(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.400(7) . ?
C15 C16 1.400(10) . ?
C15 C20 1.402(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.389(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.357(15) . ?
C18 H18 0.9500 . ?
C18 C19 1.407(16) . ?
C19 H19 0.9500 . ?
C19 C20 1.428(11) . ?
C20 H20 0.9500 . ?
C21 C22 1.408(7) . ?
C21 C30 1.373(7) . ?
C22 H22 0.9500 . ?
C22 C23 1.370(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.416(8) . ?
C24 C25 1.425(8) . ?
C24 C29 1.418(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.356(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.399(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.374(8) . ?
C28 H28 0.9500 . ?
C28 C29 1.415(7) . ?
C29 C30 1.443(7) . ?
C30 C31 1.495(6) . ?
C31 C32 1.437(6) . ?
C31 C40 1.381(6) . ?
C32 C33 1.420(6) . ?
C32 C37 1.424(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.367(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.399(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.348(8) . ?
C36 H36 0.9500 . ?
C36 C37 1.427(7) . ?
C37 C38 1.412(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.361(7) . ?
C39 H39 0.9500 . ?
C39 C40 1.402(6) . ?
C41 C42 1.391(7) . ?
C41 C46 1.411(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.384(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.389(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.394(8) . ?
C45 H45 0.9500 . ?
C45 C46 1.391(7) . ?
C46 C47 1.484(7) . ?
C47 C48 1.342(9) . ?
C47 C55 1.483(9) . ?
C48 H48 0.9500 . ?
C48 C49 1.445(10) . ?
C49 C50 1.404(9) . ?
C49 C54 1.403(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.381(12) . ?
C51 H51 0.9500 . ?
C51 C52 1.358(12) . ?
C52 H52 0.9500 . ?
C52 C53 1.390(9) . ?
C53 H53 0.9500 . ?
C53 C54 1.382(9) . ?
C55 C56 1.405(8) . ?
C55 C60 1.397(10) . ?
C56 H56 0.9500 . ?
C56 C57 1.393(11) . ?
C57 H57 0.9500 . ?
C57 C58 1.359(13) . ?
C58 H58 0.9500 . ?
C58 C59 1.414(11) . ?
C59 H59 0.9500 . ?
C59 C60 1.396(9) . ?
C60 H60 0.9500 . ?
C61 C62 1.400(7) . ?
C61 C70 1.370(7) . ?
C62 H62 0.9500 . ?
C62 C63 1.367(8) . ?
C63 H63 0.9500 . ?
C63 C64 1.412(8) . ?
C64 C65 1.427(8) . ?
C64 C69 1.417(8) . ?
C65 H65 0.9500 . ?
C65 C66 1.351(10) . ?
C66 H66 0.9500 . ?
C66 C67 1.394(11) . ?
C67 H67 0.9500 . ?
C67 C68 1.375(9) . ?
C68 H68 0.9500 . ?
C68 C69 1.422(8) . ?
C69 C70 1.440(7) . ?
C70 C71 1.479(7) . ?
C71 C72 1.444(7) . ?
C71 C80 1.369(8) . ?
C72 C73 1.412(10) . ?
C72 C77 1.429(10) . ?
C73 H73 0.9500 . ?
C73 C74 1.382(8) . ?
C74 H74 0.9500 . ?
C74 C75 1.384(13) . ?
C75 H75 0.9500 . ?
C75 C76 1.351(14) . ?
C76 H76 0.9500 . ?
C76 C77 1.441(9) . ?
C77 C78 1.396(11) . ?
C78 H78 0.9500 . ?
C78 C79 1.373(9) . ?
C79 H79 0.9500 . ?
C79 C80 1.416(7) . ?
C81 C82 1.399(6) . ?
C81 C86 1.408(6) . ?
C82 H82 0.9500 . ?
C82 C83 1.387(6) . ?
C83 H83 0.9500 . ?
C83 C84 1.376(7) . ?
C84 H84 0.9500 . ?
C84 C85 1.386(6) . ?
C85 H85 0.9500 . ?
C85 C86 1.408(6) . ?
C86 C87 1.473(6) . ?
C87 C88 1.357(6) . ?
C87 C95 1.498(6) . ?
C88 H88 0.9500 . ?
C88 C89 1.447(7) . ?
C89 C90 1.405(7) . ?
C89 C94 1.405(6) . ?
C90 H90 0.9500 . ?
C90 C91 1.385(7) . ?
C91 H91 0.9500 . ?
C91 C92 1.394(7) . ?
C92 H92 0.9500 . ?
C92 C93 1.385(7) . ?
C93 H93 0.9500 . ?
C93 C94 1.385(7) . ?
C95 C96 1.393(7) . ?
C95 C100 1.399(7) . ?
C96 H96 0.9500 . ?
C96 C97 1.385(7) . ?
C97 H97 0.9500 . ?
C97 C98 1.391(8) . ?
C98 H98 0.9500 . ?
C98 C99 1.372(8) . ?
C99 H99 0.9500 . ?
C99 C100 1.385(7) . ?
C100 H100 0.9500 . ?
C101 C102 1.392(7) . ?
C101 C110 1.379(6) . ?
C102 H102 0.9500 . ?
C102 C103 1.370(7) . ?
C103 H103 0.9500 . ?
C103 C104 1.418(7) . ?
C104 C105 1.427(7) . ?
C104 C109 1.417(7) . ?
C105 H105 0.9500 . ?
C105 C106 1.372(8) . ?
C106 H106 0.9500 . ?
C106 C107 1.389(8) . ?
C107 H107 0.9500 . ?
C107 C108 1.381(7) . ?
C108 H108 0.9500 . ?
C108 C109 1.420(7) . ?
C109 C110 1.433(6) . ?
C110 C111 1.489(6) . ?
C111 C112 1.437(7) . ?
C111 C120 1.378(6) . ?
C112 C113 1.415(7) . ?
C112 C117 1.427(7) . ?
C113 H113 0.9500 . ?
C113 C114 1.360(8) . ?
C114 H114 0.9500 . ?
C114 C115 1.419(8) . ?
C115 H115 0.9500 . ?
C115 C116 1.357(8) . ?
C116 H116 0.9500 . ?
C116 C117 1.418(7) . ?
C117 C118 1.415(7) . ?
C118 H118 0.9500 . ?
C118 C119 1.358(7) . ?
C119 H119 0.9500 . ?
C119 C120 1.404(6) . ?
C121 C122 1.387(8) . ?
C121 C126 1.391(7) . ?
C122 H122 0.9500 . ?
C122 C123 1.392(8) . ?
C123 H123 0.9500 . ?
C123 C124 1.373(8) . ?
C124 H124 0.9500 . ?
C124 C125 1.374(8) . ?
C125 H125 0.9500 . ?
C125 C126 1.403(7) . ?
C126 C127 1.498(7) . ?
C127 C128 1.330(7) . ?
C127 C135 1.497(7) . ?
C128 H128 0.9500 . ?
C128 C129 1.454(7) . ?
C129 C130 1.424(8) . ?
C129 C134 1.401(7) . ?
C130 H130 0.9500 . ?
C130 C131 1.392(9) . ?
C131 H131 0.9500 . ?
C131 C132 1.389(9) . ?
C132 H132 0.9500 . ?
C132 C133 1.380(8) . ?
C133 H133 0.9500 . ?
C133 C134 1.398(7) . ?
C135 C136 1.386(7) . ?
C135 C140 1.408(8) . ?
C136 H136 0.9500 . ?
C136 C137 1.391(8) . ?
C137 H137 0.9500 . ?
C137 C138 1.387(9) . ?
C138 H138 0.9500 . ?
C138 C139 1.385(9) . ?
C139 H139 0.9500 . ?
C139 C140 1.374(8) . ?
C140 H140 0.9500 . ?
C141 C142 1.402(6) . ?
C141 C150 1.377(7) . ?
C142 H142 0.9500 . ?
C142 C143 1.377(7) . ?
C143 H143 0.9500 . ?
C143 C144 1.416(7) . ?
C144 C145 1.424(7) . ?
C144 C149 1.427(7) . ?
C145 H145 0.9500 . ?
C145 C146 1.357(8) . ?
C146 H146 0.9500 . ?
C146 C147 1.402(8) . ?
C147 H147 0.9500 . ?
C147 C148 1.371(7) . ?
C148 H148 0.9500 . ?
C148 C149 1.417(7) . ?
C149 C150 1.442(6) . ?
C150 C151 1.477(6) . ?
C151 C152 1.437(7) . ?
C151 C160 1.381(6) . ?
C152 C153 1.427(7) . ?
C152 C157 1.431(7) . ?
C153 H153 0.9500 . ?
C153 C154 1.355(8) . ?
C154 H154 0.9500 . ?
C154 C155 1.408(9) . ?
C155 H155 0.9500 . ?
C155 C156 1.367(9) . ?
C156 H156 0.9500 . ?
C156 C157 1.406(7) . ?
C157 C158 1.424(7) . ?
C158 H158 0.9500 . ?
C158 C159 1.364(7) . ?
C159 H159 0.9500 . ?
C159 C160 1.410(6) . ?
Rh3 Cl3 2.4023(12) . ?
Rh3 Cl4 2.4410(11) . ?
Rh3 P5 2.1523(12) . ?
Rh3 P6 2.1503(12) . ?
Rh4 Cl3 2.3976(12) . ?
Rh4 Cl4 2.4521(11) . ?
Rh4 P7 2.1526(12) . ?
Rh4 P8 2.1417(13) . ?
P5 O9 1.622(3) . ?
P5 O10 1.629(3) . ?
P5 N5 1.674(4) . ?
P6 O11 1.622(3) . ?
P6 O12 1.620(3) . ?
P6 N6 1.673(4) . ?
P7 O13 1.627(3) . ?
P7 O14 1.634(3) . ?
P7 N7 1.679(4) . ?
P8 O15 1.628(3) . ?
P8 O16 1.620(4) . ?
P8 N8 1.659(5) . ?
O9 C181 1.376(6) . ?
O10 C200 1.389(6) . ?
O11 C221 1.393(6) . ?
O12 C240 1.377(6) . ?
O13 C261 1.387(5) . ?
O14 C280 1.402(6) . ?
O15 C301 1.399(6) . ?
O16 C320 1.398(6) . ?
N5 C161 1.441(6) . ?
N5 C174 1.442(6) . ?
N6 C201 1.451(6) . ?
N6 C214 1.448(6) . ?
N7 C241 1.434(6) . ?
N7 C254 1.450(6) . ?
N8 C281 1.443(7) . ?
N8 C294 1.481(7) . ?
C161 C162 1.378(6) . ?
C161 C166 1.404(6) . ?
C162 H162 0.9500 . ?
C162 C163 1.387(7) . ?
C163 H163 0.9500 . ?
C163 C164 1.381(7) . ?
C164 H164 0.9500 . ?
C164 C165 1.379(7) . ?
C165 H165 0.9500 . ?
C165 C166 1.407(7) . ?
C166 C167 1.480(7) . ?
C167 C168 1.347(7) . ?
C167 C175 1.499(7) . ?
C168 H168 0.9500 . ?
C168 C169 1.459(7) . ?
C169 C170 1.392(7) . ?
C169 C174 1.398(7) . ?
C170 H170 0.9500 . ?
C170 C171 1.388(8) . ?
C171 H171 0.9500 . ?
C171 C172 1.391(8) . ?
C172 H172 0.9500 . ?
C172 C173 1.379(7) . ?
C173 H173 0.9500 . ?
C173 C174 1.394(7) . ?
C175 C176 1.400(7) . ?
C175 C180 1.375(8) . ?
C176 H176 0.9500 . ?
C176 C177 1.389(8) . ?
C177 H177 0.9500 . ?
C177 C178 1.370(10) . ?
C178 H178 0.9500 . ?
C178 C179 1.381(9) . ?
C179 H179 0.9500 . ?
C179 C180 1.399(8) . ?
C180 H180 0.9500 . ?
C181 C182 1.413(6) . ?
C181 C190 1.381(7) . ?
C182 H182 0.9500 . ?
C182 C183 1.370(8) . ?
C183 H183 0.9500 . ?
C183 C184 1.389(9) . ?
C184 C185 1.418(9) . ?
C184 C189 1.426(8) . ?
C185 H185 0.9500 . ?
C185 C186 1.329(12) . ?
C186 H186 0.9500 . ?
C186 C187 1.409(12) . ?
C187 H187 0.9500 . ?
C187 C188 1.375(9) . ?
C188 H188 0.9500 . ?
C188 C189 1.438(9) . ?
C189 C190 1.441(7) . ?
C190 C191 1.479(7) . ?
C191 C192 1.449(7) . ?
C191 C200 1.378(7) . ?
C192 C193 1.417(8) . ?
C192 C197 1.426(7) . ?
C193 H193 0.9500 . ?
C193 C194 1.366(9) . ?
C194 H194 0.9500 . ?
C194 C195 1.391(10) . ?
C195 H195 0.9500 . ?
C195 C196 1.340(10) . ?
C196 H196 0.9500 . ?
C196 C197 1.428(8) . ?
C197 C198 1.410(9) . ?
C198 H198 0.9500 . ?
C198 C199 1.361(8) . ?
C199 H199 0.9500 . ?
C199 C200 1.408(6) . ?
C201 C202 1.382(7) . ?
C201 C206 1.399(7) . ?
C202 H202 0.9500 . ?
C202 C203 1.384(7) . ?
C203 H203 0.9500 . ?
C203 C204 1.389(9) . ?
C204 H204 0.9500 . ?
C204 C205 1.380(8) . ?
C205 H205 0.9500 . ?
C205 C206 1.401(7) . ?
C206 C207 1.472(7) . ?
C207 C208 1.351(8) . ?
C207 C215 1.486(7) . ?
C208 H208 0.9500 . ?
C208 C209 1.466(7) . ?
C209 C210 1.409(8) . ?
C209 C214 1.380(7) . ?
C210 H210 0.9500 . ?
C210 C211 1.364(9) . ?
C211 H211 0.9500 . ?
C211 C212 1.383(9) . ?
C212 H212 0.9500 . ?
C212 C213 1.371(8) . ?
C213 H213 0.9500 . ?
C213 C214 1.377(7) . ?
C215 C216 1.402(8) . ?
C215 C220 1.380(9) . ?
C216 H216 0.9500 . ?
C216 C217 1.376(9) . ?
C217 H217 0.9500 . ?
C217 C218 1.372(11) . ?
C218 H218 0.9500 . ?
C218 C219 1.388(11) . ?
C219 H219 0.9500 . ?
C219 C220 1.405(9) . ?
C220 H220 0.9500 . ?
C221 C222 1.426(7) . ?
C221 C230 1.368(8) . ?
C222 H222 0.9500 . ?
C222 C223 1.375(8) . ?
C223 H223 0.9500 . ?
C223 C224 1.399(10) . ?
C224 C225 1.441(8) . ?
C224 C229 1.420(9) . ?
C225 H225 0.9500 . ?
C225 C226 1.344(13) . ?
C226 H226 0.9500 . ?
C226 C227 1.386(13) . ?
C227 H227 0.9500 . ?
C227 C228 1.384(8) . ?
C228 H228 0.9500 . ?
C228 C229 1.410(9) . ?
C229 C230 1.447(7) . ?
C230 C231 1.488(8) . ?
C231 C232 1.428(7) . ?
C231 C240 1.380(7) . ?
C232 C233 1.427(8) . ?
C232 C237 1.425(9) . ?
C233 H233 0.9500 . ?
C233 C234 1.383(9) . ?
C234 H234 0.9500 . ?
C234 C235 1.397(12) . ?
C235 H235 0.9500 . ?
C235 C236 1.344(12) . ?
C236 H236 0.9500 . ?
C236 C237 1.418(9) . ?
C237 C238 1.423(9) . ?
C238 H238 0.9500 . ?
C238 C239 1.359(8) . ?
C239 H239 0.9500 . ?
C239 C240 1.425(7) . ?
C241 C242 1.396(6) . ?
C241 C246 1.411(6) . ?
C242 H242 0.9500 . ?
C242 C243 1.389(7) . ?
C243 H243 0.9500 . ?
C243 C244 1.384(7) . ?
C244 H244 0.9500 . ?
C244 C245 1.385(6) . ?
C245 H245 0.9500 . ?
C245 C246 1.398(6) . ?
C246 C247 1.489(6) . ?
C247 C248 1.348(6) . ?
C247 C255 1.496(6) . ?
C248 H248 0.9500 . ?
C248 C249 1.449(6) . ?
C249 C250 1.400(7) . ?
C249 C254 1.409(6) . ?
C250 H250 0.9500 . ?
C250 C251 1.378(7) . ?
C251 H251 0.9500 . ?
C251 C252 1.390(7) . ?
C252 H252 0.9500 . ?
C252 C253 1.377(7) . ?
C253 H253 0.9500 . ?
C253 C254 1.392(7) . ?
C255 C256 1.402(6) . ?
C255 C260 1.393(7) . ?
C256 H256 0.9500 . ?
C256 C257 1.389(7) . ?
C257 H257 0.9500 . ?
C257 C258 1.387(8) . ?
C258 H258 0.9500 . ?
C258 C259 1.383(7) . ?
C259 H259 0.9500 . ?
C259 C260 1.392(7) . ?
C260 H260 0.9500 . ?
C261 C262 1.414(6) . ?
C261 C270 1.375(6) . ?
C262 H262 0.9500 . ?
C262 C263 1.360(7) . ?
C263 H263 0.9500 . ?
C263 C264 1.416(6) . ?
C264 C265 1.426(7) . ?
C264 C269 1.421(6) . ?
C265 H265 0.9500 . ?
C265 C266 1.363(7) . ?
C266 H266 0.9500 . ?
C266 C267 1.411(7) . ?
C267 H267 0.9500 . ?
C267 C268 1.366(7) . ?
C268 H268 0.9500 . ?
C268 C269 1.425(6) . ?
C269 C270 1.424(6) . ?
C270 C271 1.489(6) . ?
C271 C272 1.438(7) . ?
C271 C280 1.369(7) . ?
C272 C273 1.415(7) . ?
C272 C277 1.430(6) . ?
C273 H273 0.9500 . ?
C273 C274 1.366(7) . ?
C274 H274 0.9500 . ?
C274 C275 1.420(8) . ?
C275 H275 0.9500 . ?
C275 C276 1.360(9) . ?
C276 H276 0.9500 . ?
C276 C277 1.411(7) . ?
C277 C278 1.404(8) . ?
C278 H278 0.9500 . ?
C278 C279 1.358(7) . ?
C279 H279 0.9500 . ?
C279 C280 1.413(6) . ?
C281 C282 1.387(7) . ?
C281 C286 1.395(8) . ?
C282 H282 0.9500 . ?
C282 C283 1.389(9) . ?
C283 H283 0.9500 . ?
C283 C284 1.379(8) . ?
C284 H284 0.9500 . ?
C284 C285 1.392(9) . ?
C285 H285 0.9500 . ?
C285 C286 1.404(9) . ?
C286 C287 1.508(8) . ?
C287 C288 1.371(9) . ?
C287 C295 1.466(8) . ?
C288 H288 0.9500 . ?
C288 C289 1.435(8) . ?
C289 C290 1.409(9) . ?
C289 C294 1.389(8) . ?
C290 H290 0.9500 . ?
C290 C291 1.377(9) . ?
C291 H291 0.9500 . ?
C291 C292 1.371(10) . ?
C292 H292 0.9500 . ?
C292 C293 1.393(9) . ?
C293 H293 0.9500 . ?
C293 C294 1.380(8) . ?
C295 C296 1.410(9) . ?
C295 C300 1.376(9) . ?
C296 H296 0.9500 . ?
C296 C297 1.382(9) . ?
C297 H297 0.9500 . ?
C297 C298 1.395(11) . ?
C298 H298 0.9500 . ?
C298 C299 1.385(10) . ?
C299 H299 0.9500 . ?
C299 C300 1.378(8) . ?
C300 H300 0.9500 . ?
C301 C302 1.404(7) . ?
C301 C310 1.359(8) . ?
C302 H302 0.9500 . ?
C302 C303 1.372(8) . ?
C303 H303 0.9500 . ?
C303 C304 1.397(10) . ?
C304 C305 1.434(8) . ?
C304 C309 1.404(9) . ?
C305 H305 0.9500 . ?
C305 C306 1.354(12) . ?
C306 H306 0.9500 . ?
C306 C307 1.399(12) . ?
C307 H307 0.9500 . ?
C307 C308 1.356(9) . ?
C308 H308 0.9500 . ?
C308 C309 1.406(10) . ?
C309 C310 1.449(7) . ?
C310 C311 1.491(7) . ?
C311 C312 1.441(8) . ?
C311 C320 1.385(7) . ?
C312 C313 1.414(7) . ?
C312 C317 1.425(8) . ?
C313 H313 0.9500 . ?
C313 C314 1.373(8) . ?
C314 H314 0.9500 . ?
C314 C315 1.407(9) . ?
C315 H315 0.9500 . ?
C315 C316 1.373(9) . ?
C316 H316 0.9500 . ?
C316 C317 1.415(8) . ?
C317 C318 1.411(7) . ?
C318 H318 0.9500 . ?
C318 C319 1.340(8) . ?
C319 H319 0.9500 . ?
C319 C320 1.402(8) . ?
C401 H401 0.9500 . ?
C401 C402 1.436(15) . ?
C401 C406 1.383(15) . ?
C402 H402 0.9500 . ?
C402 C403 1.353(13) . ?
C403 H403 0.9500 . ?
C403 C404 1.378(11) . ?
C404 H404 0.9500 . ?
C404 C405 1.359(11) . ?
C405 H405 0.9500 . ?
C405 C406 1.348(13) . ?
C406 H406 0.9500 . ?
C411 H411 0.9500 . ?
C411 C412 1.396(9) . ?
C411 C416 1.366(10) . ?
C412 H412 0.9500 . ?
C412 C413 1.376(9) . ?
C413 H413 0.9500 . ?
C413 C414 1.371(10) . ?
C414 H414 0.9500 . ?
C414 C415 1.389(10) . ?
C415 H415 0.9500 . ?
C415 C416 1.383(9) . ?
C416 H416 0.9500 . ?
C421 H421 0.9500 . ?
C421 C422 1.364(11) . ?
C421 C426 1.388(10) . ?
C422 H422 0.9500 . ?
C422 C423 1.373(10) . ?
C423 H423 0.9500 . ?
C423 C424 1.371(9) . ?
C424 H424 0.9500 . ?
C424 C425 1.382(9) . ?
C425 H425 0.9500 . ?
C425 C426 1.387(8) . ?
C426 H426 0.9500 . ?
C431 H431 0.9500 . ?
C431 C432 1.386(13) . ?
C431 C436 1.420(13) . ?
C432 H432 0.9500 . ?
C432 C433 1.367(11) . ?
C433 H433 0.9500 . ?
C433 C434 1.363(11) . ?
C434 H434 0.9500 . ?
C434 C435 1.386(11) . ?
C435 H435 0.9500 . ?
C435 C436 1.336(12) . ?
C436 H436 0.9500 . ?
C441 H441 0.9500 . ?
C441 C442 1.375(10) . ?
C441 C446 1.393(10) . ?
C442 H442 0.9500 . ?
C442 C443 1.386(11) . ?
C443 H443 0.9500 . ?
C443 C444 1.388(11) . ?
C444 H444 0.9500 . ?
C444 C445 1.382(9) . ?
C445 H445 0.9500 . ?
C445 C446 1.379(10) . ?
C446 H446 0.9500 . ?
C451 H451 0.9500 . ?
C451 C452 1.389(17) . ?
C451 C456 1.480(17) . ?
C452 H452 0.9500 . ?
C452 C453 1.383(16) . ?
C453 H453 0.9500 . ?
C453 C454 1.366(13) . ?
C454 H454 0.9500 . ?
C454 C455 1.392(15) . ?
C455 H455 0.9500 . ?
C455 C456 1.412(15) . ?
C456 H456 0.9500 . ?
C461 H461 0.9500 . ?
C461 C462 1.3900 . ?
C461 C466 1.3900 . ?
C462 H462 0.9500 . ?
C462 C463 1.3900 . ?
C463 H463 0.9500 . ?
C463 C464 1.3900 . ?
C464 H464 0.9500 . ?
C464 C465 1.3900 . ?
C465 H465 0.9500 . ?
C465 C466 1.3900 . ?
C466 H466 0.9500 . ?
C471 H471 0.9500 . ?
C471 C472 1.377(15) . ?
C471 C476 1.298(14) . ?
C472 H472 0.9500 . ?
C472 C473 1.349(15) . ?
C473 H473 0.9500 . ?
C473 C474 1.494(18) . ?
C474 H474 0.9500 . ?
C474 C475 1.362(17) . ?
C475 H475 0.9500 . ?
C475 C476 1.304(15) . ?
C476 H476 0.9500 . ?
C481 H481 0.9500 . ?
C481 C482 1.445(17) . ?
C481 C486 1.365(16) . ?
C482 H482 0.9500 . ?
C482 C483 1.442(15) . ?
C483 H483 0.9500 . ?
C483 C484 1.380(14) . ?
C484 H484 0.9500 . ?
C484 C485 1.358(15) . ?
C485 H485 0.9500 . ?
C485 C486 1.472(18) . ?
C486 H486 0.9500 . ?
C491 H491 0.9500 . ?
C491 C492 1.350(11) . ?
C491 C496 1.361(13) . ?
C492 H492 0.9500 . ?
C492 C493 1.397(10) . ?
C493 H493 0.9500 . ?
C493 C494 1.369(10) . ?
C494 H494 0.9500 . ?
C494 C495 1.356(11) . ?
C495 H495 0.9500 . ?
C495 C496 1.401(12) . ?
C496 H496 0.9500 . ?
C501 H501 0.9500 . ?
C501 C502 1.345(16) . ?
C501 C506 1.399(16) . ?
C502 H502 0.9500 . ?
C502 C503 1.386(16) . ?
C503 H503 0.9500 . ?
C503 C504 1.509(19) . ?
C504 H504 0.9500 . ?
C504 C505 1.298(18) . ?
C505 H505 0.9500 . ?
C505 C506 1.378(17) . ?
C506 H506 0.9500 . ?
C511 H511 0.9500 . ?
C511 C512 1.371(11) . ?
C511 C516 1.369(10) . ?
C512 H512 0.9500 . ?
C512 C513 1.345(12) . ?
C513 H513 0.9500 . ?
C513 C514 1.359(13) . ?
C514 H514 0.9500 . ?
C514 C515 1.408(14) . ?
C515 H515 0.9500 . ?
C515 C516 1.354(12) . ?
C516 H516 0.9500 . ?
C521 H521 0.9500 . ?
C521 C522 1.3900 . ?
C521 C526 1.3900 . ?
C522 H522 0.9500 . ?
C522 C523 1.3900 . ?
C523 H523 0.9500 . ?
C523 C524 1.3900 . ?
C524 H524 0.9500 . ?
C524 C525 1.3900 . ?
C525 H525 0.9500 . ?
C525 C526 1.3900 . ?
C526 H526 0.9500 . ?
C531 H531 0.9500 . ?
C531 C532 1.378(15) . ?
C531 C536 1.373(16) . ?
C532 H532 0.9500 . ?
C532 C533 1.374(13) . ?
C533 H533 0.9500 . ?
C533 C534 1.356(13) . ?
C534 H534 0.9500 . ?
C534 C535 1.367(14) . ?
C535 H535 0.9500 . ?
C535 C536 1.358(16) . ?
C536 H536 0.9500 . ?
C541 H541 0.9500 . ?
C541 C542 1.291(16) . ?
C541 C546 1.391(16) . ?
C542 H542 0.9500 . ?
C542 C543 1.385(15) . ?
C543 H543 0.9500 . ?
C543 C544 1.350(14) . ?
C544 H544 0.9500 . ?
C544 C545 1.385(15) . ?
C545 H545 0.9500 . ?
C545 C546 1.366(15) . ?
C546 H546 0.9500 . ?
C551 H55A 0.9800 . ?
C551 H55B 0.9800 . ?
C551 H55C 0.9800 . ?
C551 C552 1.519(13) . ?
C552 H55D 0.9900 . ?
C552 H55E 0.9900 . ?
C552 C553 1.528(13) . ?
C553 H55F 0.9900 . ?
C553 H55G 0.9900 . ?
C553 C554 1.609(13) . ?
C554 H55H 0.9900 . ?
C554 H55I 0.9900 . ?
C554 C555 1.553(13) . ?
C555 H55J 0.9800 . ?
C555 H55K 0.9800 . ?
C555 H55L 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 Rh1 Cl2 83.11(4) . . ?
P1 Rh1 Cl1 173.76(5) . . ?
P1 Rh1 Cl2 95.63(4) . . ?
P1 Rh1 P2 94.93(5) . . ?
P2 Rh1 Cl1 86.92(4) . . ?
P2 Rh1 Cl2 168.32(5) . . ?
Cl1 Rh2 Cl2 82.66(4) . . ?
P3 Rh2 Cl1 173.67(4) . . ?
P3 Rh2 Cl2 95.02(4) . . ?
P4 Rh2 Cl1 88.36(4) . . ?
P4 Rh2 Cl2 170.54(4) . . ?
P4 Rh2 P3 94.22(5) . . ?
Rh2 Cl1 Rh1 97.68(4) . . ?
Rh1 Cl2 Rh2 95.58(4) . . ?
O1 P1 Rh1 111.64(13) . . ?
O1 P1 N1 109.25(18) . . ?
O2 P1 Rh1 118.60(13) . . ?
O2 P1 O1 100.03(17) . . ?
O2 P1 N1 95.58(18) . . ?
N1 P1 Rh1 119.24(15) . . ?
O3 P2 Rh1 114.03(13) . . ?
O3 P2 O4 100.19(18) . . ?
O3 P2 N2 95.48(19) . . ?
O4 P2 Rh1 116.34(13) . . ?
O4 P2 N2 109.5(2) . . ?
N2 P2 Rh1 117.97(16) . . ?
O5 P3 Rh2 114.85(13) . . ?
O5 P3 N3 108.72(18) . . ?
O6 P3 Rh2 113.96(13) . . ?
O6 P3 O5 100.36(16) . . ?
O6 P3 N3 97.14(19) . . ?
N3 P3 Rh2 118.95(13) . . ?
O7 P4 Rh2 117.21(13) . . ?
O7 P4 O8 99.26(17) . . ?
O7 P4 N4 95.36(19) . . ?
O8 P4 Rh2 114.80(13) . . ?
O8 P4 N4 110.80(19) . . ?
N4 P4 Rh2 116.64(15) . . ?
C21 O1 P1 123.2(3) . . ?
C40 O2 P1 119.7(3) . . ?
C61 O3 P2 122.0(3) . . ?
C80 O4 P2 119.9(3) . . ?
C101 O5 P3 119.3(3) . . ?
C120 O6 P3 121.6(3) . . ?
C141 O7 P4 120.4(3) . . ?
C160 O8 P4 123.1(3) . . ?
C1 N1 P1 119.4(3) . . ?
C1 N1 C14 113.4(4) . . ?
C14 N1 P1 126.8(3) . . ?
C41 N2 P2 121.4(3) . . ?
C41 N2 C54 112.7(4) . . ?
C54 N2 P2 125.3(3) . . ?
C81 N3 P3 120.6(3) . . ?
C81 N3 C94 115.0(4) . . ?
C94 N3 P3 124.3(3) . . ?
C121 N4 P4 123.0(4) . . ?
C121 N4 C134 111.6(4) . . ?
C134 N4 P4 125.1(3) . . ?
C2 C1 N1 119.5(4) . . ?
C2 C1 C6 121.0(5) . . ?
C6 C1 N1 119.5(4) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 119.9(5) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.7(5) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.4(5) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.7(5) . . ?
C6 C5 H5 119.1 . . ?
C1 C6 C7 122.5(4) . . ?
C5 C6 C1 117.2(5) . . ?
C5 C6 C7 120.1(5) . . ?
C6 C7 C15 117.7(5) . . ?
C8 C7 C6 124.1(4) . . ?
C8 C7 C15 118.0(5) . . ?
C7 C8 H8 115.6 . . ?
C7 C8 C9 128.8(5) . . ?
C9 C8 H8 115.6 . . ?
C10 C9 C8 119.9(5) . . ?
C14 C9 C8 121.8(5) . . ?
C14 C9 C10 118.3(5) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.8(5) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(5) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.8(5) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 H13 119.7 . . ?
C12 C13 C14 120.5(5) . . ?
C14 C13 H13 119.7 . . ?
C9 C14 N1 119.5(4) . . ?
C9 C14 C13 120.1(4) . . ?
C13 C14 N1 120.4(4) . . ?
C16 C15 C7 120.0(6) . . ?
C16 C15 C20 119.5(6) . . ?
C20 C15 C7 120.4(6) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 C15 121.7(8) . . ?
C17 C16 H16 119.2 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.2(9) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 120.1 . . ?
C17 C18 C19 119.8(8) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 121.1(9) . . ?
C20 C19 H19 119.5 . . ?
C15 C20 C19 117.7(9) . . ?
C15 C20 H20 121.1 . . ?
C19 C20 H20 121.1 . . ?
O1 C21 C22 115.5(4) . . ?
C30 C21 O1 120.8(4) . . ?
C30 C21 C22 123.5(4) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 C21 119.0(5) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.6(5) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C25 120.7(5) . . ?
C23 C24 C29 119.7(5) . . ?
C29 C24 C25 119.6(5) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.7(6) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 119.8 . . ?
C25 C26 C27 120.3(5) . . ?
C27 C26 H26 119.8 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.3(6) . . ?
C28 C27 H27 119.9 . . ?
C27 C28 H28 119.2 . . ?
C27 C28 C29 121.5(5) . . ?
C29 C28 H28 119.2 . . ?
C24 C29 C30 119.5(5) . . ?
C28 C29 C24 117.4(5) . . ?
C28 C29 C30 123.0(5) . . ?
C21 C30 C29 117.2(4) . . ?
C21 C30 C31 120.9(4) . . ?
C29 C30 C31 121.9(4) . . ?
C32 C31 C30 122.4(4) . . ?
C40 C31 C30 119.9(4) . . ?
C40 C31 C32 117.6(4) . . ?
C33 C32 C31 123.1(4) . . ?
C33 C32 C37 118.1(4) . . ?
C37 C32 C31 118.8(4) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 C32 121.0(5) . . ?
C34 C33 H33 119.5 . . ?
C33 C34 H34 119.7 . . ?
C33 C34 C35 120.6(5) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 119.7 . . ?
C36 C35 C34 120.5(5) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 H36 119.5 . . ?
C35 C36 C37 121.1(5) . . ?
C37 C36 H36 119.5 . . ?
C32 C37 C36 118.7(4) . . ?
C38 C37 C32 120.1(4) . . ?
C38 C37 C36 121.2(5) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 C37 120.7(4) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 120.4 . . ?
C38 C39 C40 119.1(4) . . ?
C40 C39 H39 120.4 . . ?
O2 C40 C39 116.6(4) . . ?
C31 C40 O2 119.9(4) . . ?
C31 C40 C39 123.4(4) . . ?
C42 C41 N2 119.6(4) . . ?
C42 C41 C46 120.6(5) . . ?
C46 C41 N2 119.7(4) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 C41 120.6(5) . . ?
C43 C42 H42 119.7 . . ?
C42 C43 H43 120.1 . . ?
C42 C43 C44 119.8(5) . . ?
C44 C43 H43 120.1 . . ?
C43 C44 H44 120.3 . . ?
C43 C44 C45 119.4(5) . . ?
C45 C44 H44 120.3 . . ?
C44 C45 H45 118.9 . . ?
C46 C45 C44 122.1(5) . . ?
C46 C45 H45 118.9 . . ?
C41 C46 C47 123.2(5) . . ?
C45 C46 C41 117.5(5) . . ?
C45 C46 C47 119.2(5) . . ?
C48 C47 C46 123.7(6) . . ?
C48 C47 C55 119.2(5) . . ?
C55 C47 C46 116.8(5) . . ?
C47 C48 H48 115.4 . . ?
C47 C48 C49 129.1(6) . . ?
C49 C48 H48 115.4 . . ?
C50 C49 C48 119.5(6) . . ?
C50 C49 C54 117.8(7) . . ?
C54 C49 C48 122.6(5) . . ?
C49 C50 H50 119.5 . . ?
C51 C50 C49 121.1(7) . . ?
C51 C50 H50 119.5 . . ?
C50 C51 H51 119.9 . . ?
C52 C51 C50 120.1(6) . . ?
C52 C51 H51 119.9 . . ?
C51 C52 H52 119.7 . . ?
C51 C52 C53 120.6(8) . . ?
C53 C52 H52 119.7 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 120.1(7) . . ?
C54 C53 H53 120.0 . . ?
C49 C54 N2 118.9(5) . . ?
C53 C54 N2 120.9(5) . . ?
C53 C54 C49 120.2(6) . . ?
C56 C55 C47 120.9(7) . . ?
C60 C55 C47 121.3(5) . . ?
C60 C55 C56 117.8(6) . . ?
C55 C56 H56 119.6 . . ?
C57 C56 C55 120.7(8) . . ?
C57 C56 H56 119.6 . . ?
C56 C57 H57 119.4 . . ?
C58 C57 C56 121.3(7) . . ?
C58 C57 H57 119.4 . . ?
C57 C58 H58 120.2 . . ?
C57 C58 C59 119.5(7) . . ?
C59 C58 H58 120.2 . . ?
C58 C59 H59 120.3 . . ?
C60 C59 C58 119.4(8) . . ?
C60 C59 H59 120.3 . . ?
C55 C60 C59 121.3(7) . . ?
C55 C60 H60 119.3 . . ?
C59 C60 H60 119.3 . . ?
O3 C61 C62 117.8(4) . . ?
C70 C61 O3 118.2(4) . . ?
C70 C61 C62 123.7(5) . . ?
C61 C62 H62 120.5 . . ?
C63 C62 C61 118.9(5) . . ?
C63 C62 H62 120.5 . . ?
C62 C63 H63 119.6 . . ?
C62 C63 C64 120.9(5) . . ?
C64 C63 H63 119.6 . . ?
C63 C64 C65 121.4(6) . . ?
C63 C64 C69 119.3(5) . . ?
C69 C64 C65 119.2(6) . . ?
C64 C65 H65 119.8 . . ?
C66 C65 C64 120.4(7) . . ?
C66 C65 H65 119.8 . . ?
C65 C66 H66 119.4 . . ?
C65 C66 C67 121.3(6) . . ?
C67 C66 H66 119.4 . . ?
C66 C67 H67 120.0 . . ?
C68 C67 C66 120.0(6) . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 119.5 . . ?
C67 C68 C69 121.0(7) . . ?
C69 C68 H68 119.5 . . ?
C64 C69 C68 118.1(5) . . ?
C64 C69 C70 119.7(5) . . ?
C68 C69 C70 122.2(5) . . ?
C61 C70 C69 117.1(5) . . ?
C61 C70 C71 120.0(4) . . ?
C69 C70 C71 122.9(5) . . ?
C72 C71 C70 121.2(5) . . ?
C80 C71 C70 121.0(5) . . ?
C80 C71 C72 117.8(5) . . ?
C73 C72 C71 121.8(6) . . ?
C73 C72 C77 119.1(6) . . ?
C77 C72 C71 118.9(6) . . ?
C72 C73 H73 119.9 . . ?
C74 C73 C72 120.3(8) . . ?
C74 C73 H73 119.9 . . ?
C73 C74 H74 119.4 . . ?
C73 C74 C75 121.1(8) . . ?
C75 C74 H74 119.4 . . ?
C74 C75 H75 119.8 . . ?
C76 C75 C74 120.4(6) . . ?
C76 C75 H75 119.8 . . ?
C75 C76 H76 119.2 . . ?
C75 C76 C77 121.5(8) . . ?
C77 C76 H76 119.2 . . ?
C72 C77 C76 117.5(8) . . ?
C78 C77 C72 119.7(5) . . ?
C78 C77 C76 122.8(7) . . ?
C77 C78 H78 119.4 . . ?
C79 C78 C77 121.3(6) . . ?
C79 C78 H78 119.4 . . ?
C78 C79 H79 120.7 . . ?
C78 C79 C80 118.6(6) . . ?
C80 C79 H79 120.7 . . ?
O4 C80 C79 116.4(5) . . ?
C71 C80 O4 120.7(4) . . ?
C71 C80 C79 122.8(5) . . ?
C82 C81 N3 118.6(4) . . ?
C82 C81 C86 120.8(4) . . ?
C86 C81 N3 120.6(4) . . ?
C81 C82 H82 119.9 . . ?
C83 C82 C81 120.2(4) . . ?
C83 C82 H82 119.9 . . ?
C82 C83 H83 120.0 . . ?
C84 C83 C82 120.0(4) . . ?
C84 C83 H83 120.0 . . ?
C83 C84 H84 120.0 . . ?
C83 C84 C85 120.0(4) . . ?
C85 C84 H84 120.0 . . ?
C84 C85 H85 119.0 . . ?
C84 C85 C86 122.0(4) . . ?
C86 C85 H85 119.0 . . ?
C81 C86 C85 116.9(4) . . ?
C81 C86 C87 124.9(4) . . ?
C85 C86 C87 118.2(4) . . ?
C86 C87 C95 117.2(4) . . ?
C88 C87 C86 125.3(4) . . ?
C88 C87 C95 117.3(4) . . ?
C87 C88 H88 116.0 . . ?
C87 C88 C89 127.9(4) . . ?
C89 C88 H88 116.0 . . ?
C90 C89 C88 117.5(4) . . ?
C94 C89 C88 124.8(4) . . ?
C94 C89 C90 117.6(4) . . ?
C89 C90 H90 119.5 . . ?
C91 C90 C89 120.9(5) . . ?
C91 C90 H90 119.5 . . ?
C90 C91 H91 119.9 . . ?
C90 C91 C92 120.2(5) . . ?
C92 C91 H91 119.9 . . ?
C91 C92 H92 120.3 . . ?
C93 C92 C91 119.5(5) . . ?
C93 C92 H92 120.3 . . ?
C92 C93 H93 119.8 . . ?
C94 C93 C92 120.4(4) . . ?
C94 C93 H93 119.8 . . ?
C89 C94 N3 119.7(4) . . ?
C93 C94 N3 119.5(4) . . ?
C93 C94 C89 120.8(4) . . ?
C96 C95 C87 121.0(4) . . ?
C96 C95 C100 118.4(4) . . ?
C100 C95 C87 120.7(4) . . ?
C95 C96 H96 119.5 . . ?
C97 C96 C95 120.9(5) . . ?
C97 C96 H96 119.5 . . ?
C96 C97 H97 120.1 . . ?
C96 C97 C98 119.8(5) . . ?
C98 C97 H97 120.1 . . ?
C97 C98 H98 120.1 . . ?
C99 C98 C97 119.9(5) . . ?
C99 C98 H98 120.1 . . ?
C98 C99 H99 119.7 . . ?
C98 C99 C100 120.6(5) . . ?
C100 C99 H99 119.7 . . ?
C95 C100 H100 119.8 . . ?
C99 C100 C95 120.5(5) . . ?
C99 C100 H100 119.8 . . ?
C102 C101 O5 117.2(4) . . ?
C110 C101 O5 119.8(4) . . ?
C110 C101 C102 123.0(4) . . ?
C101 C102 H102 120.3 . . ?
C103 C102 C101 119.5(5) . . ?
C103 C102 H102 120.3 . . ?
C102 C103 H103 120.0 . . ?
C102 C103 C104 120.1(5) . . ?
C104 C103 H103 120.0 . . ?
C103 C104 C105 120.9(5) . . ?
C103 C104 C109 119.6(5) . . ?
C109 C104 C105 119.5(5) . . ?
C104 C105 H105 119.8 . . ?
C106 C105 C104 120.5(5) . . ?
C106 C105 H105 119.8 . . ?
C105 C106 H106 120.0 . . ?
C105 C106 C107 120.1(5) . . ?
C107 C106 H106 120.0 . . ?
C106 C107 H107 119.4 . . ?
C108 C107 C106 121.2(5) . . ?
C108 C107 H107 119.4 . . ?
C107 C108 H108 119.7 . . ?
C107 C108 C109 120.6(5) . . ?
C109 C108 H108 119.7 . . ?
C104 C109 C108 118.2(4) . . ?
C104 C109 C110 119.4(4) . . ?
C108 C109 C110 122.3(4) . . ?
C101 C110 C109 117.3(4) . . ?
C101 C110 C111 119.5(4) . . ?
C109 C110 C111 123.2(4) . . ?
C112 C111 C110 121.6(4) . . ?
C120 C111 C110 120.0(4) . . ?
C120 C111 C112 118.3(4) . . ?
C113 C112 C111 123.2(5) . . ?
C113 C112 C117 118.2(5) . . ?
C117 C112 C111 118.6(4) . . ?
C112 C113 H113 119.4 . . ?
C114 C113 C112 121.2(5) . . ?
C114 C113 H113 119.4 . . ?
C113 C114 H114 119.5 . . ?
C113 C114 C115 120.9(5) . . ?
C115 C114 H114 119.5 . . ?
C114 C115 H115 120.4 . . ?
C116 C115 C114 119.1(5) . . ?
C116 C115 H115 120.4 . . ?
C115 C116 H116 119.1 . . ?
C115 C116 C117 121.7(5) . . ?
C117 C116 H116 119.1 . . ?
C116 C117 C112 118.8(5) . . ?
C118 C117 C112 120.1(4) . . ?
C118 C117 C116 121.0(5) . . ?
C117 C118 H118 119.8 . . ?
C119 C118 C117 120.4(5) . . ?
C119 C118 H118 119.8 . . ?
C118 C119 H119 120.1 . . ?
C118 C119 C120 119.9(4) . . ?
C120 C119 H119 120.1 . . ?
O6 C120 C119 117.9(4) . . ?
C111 C120 O6 119.4(4) . . ?
C111 C120 C119 122.7(4) . . ?
C122 C121 N4 119.7(4) . . ?
C122 C121 C126 120.9(5) . . ?
C126 C121 N4 119.4(5) . . ?
C121 C122 H122 119.6 . . ?
C121 C122 C123 120.9(5) . . ?
C123 C122 H122 119.6 . . ?
C122 C123 H123 120.7 . . ?
C124 C123 C122 118.6(5) . . ?
C124 C123 H123 120.7 . . ?
C123 C124 H124 119.6 . . ?
C123 C124 C125 120.8(5) . . ?
C125 C124 H124 119.6 . . ?
C124 C125 H125 119.1 . . ?
C124 C125 C126 121.8(5) . . ?
C126 C125 H125 119.1 . . ?
C121 C126 C125 117.0(5) . . ?
C121 C126 C127 122.6(4) . . ?
C125 C126 C127 120.3(4) . . ?
C128 C127 C126 124.3(5) . . ?
C128 C127 C135 118.7(5) . . ?
C135 C127 C126 116.8(4) . . ?
C127 C128 H128 116.2 . . ?
C127 C128 C129 127.6(5) . . ?
C129 C128 H128 116.2 . . ?
C130 C129 C128 120.6(5) . . ?
C134 C129 C128 122.8(5) . . ?
C134 C129 C130 116.6(5) . . ?
C129 C130 H130 118.9 . . ?
C131 C130 C129 122.2(6) . . ?
C131 C130 H130 118.9 . . ?
C130 C131 H131 120.5 . . ?
C132 C131 C130 118.9(6) . . ?
C132 C131 H131 120.5 . . ?
C131 C132 H132 119.8 . . ?
C133 C132 C131 120.4(6) . . ?
C133 C132 H132 119.8 . . ?
C132 C133 H133 119.7 . . ?
C132 C133 C134 120.6(5) . . ?
C134 C133 H133 119.7 . . ?
C129 C134 N4 118.2(5) . . ?
C133 C134 N4 120.9(5) . . ?
C133 C134 C129 120.9(5) . . ?
C136 C135 C127 121.5(5) . . ?
C136 C135 C140 118.3(5) . . ?
C140 C135 C127 120.3(5) . . ?
C135 C136 H136 119.4 . . ?
C135 C136 C137 121.2(5) . . ?
C137 C136 H136 119.4 . . ?
C136 C137 H137 120.1 . . ?
C138 C137 C136 119.8(6) . . ?
C138 C137 H137 120.1 . . ?
C137 C138 H138 120.4 . . ?
C139 C138 C137 119.3(6) . . ?
C139 C138 H138 120.4 . . ?
C138 C139 H139 119.4 . . ?
C140 C139 C138 121.2(6) . . ?
C140 C139 H139 119.4 . . ?
C135 C140 H140 119.9 . . ?
C139 C140 C135 120.2(5) . . ?
C139 C140 H140 119.9 . . ?
O7 C141 C142 116.1(4) . . ?
C150 C141 O7 119.6(4) . . ?
C150 C141 C142 124.1(4) . . ?
C141 C142 H142 120.5 . . ?
C143 C142 C141 118.9(5) . . ?
C143 C142 H142 120.5 . . ?
C142 C143 H143 119.8 . . ?
C142 C143 C144 120.4(4) . . ?
C144 C143 H143 119.8 . . ?
C143 C144 C145 121.1(5) . . ?
C143 C144 C149 119.7(4) . . ?
C145 C144 C149 119.2(5) . . ?
C144 C145 H145 119.4 . . ?
C146 C145 C144 121.1(5) . . ?
C146 C145 H145 119.4 . . ?
C145 C146 H146 120.1 . . ?
C145 C146 C147 119.7(5) . . ?
C147 C146 H146 120.1 . . ?
C146 C147 H147 119.3 . . ?
C148 C147 C146 121.3(5) . . ?
C148 C147 H147 119.3 . . ?
C147 C148 H148 119.7 . . ?
C147 C148 C149 120.6(5) . . ?
C149 C148 H148 119.7 . . ?
C144 C149 C150 119.6(4) . . ?
C148 C149 C144 118.0(4) . . ?
C148 C149 C150 122.4(4) . . ?
C141 C150 C149 116.8(4) . . ?
C141 C150 C151 120.2(4) . . ?
C149 C150 C151 123.0(4) . . ?
C152 C151 C150 122.4(4) . . ?
C160 C151 C150 120.7(4) . . ?
C160 C151 C152 116.9(4) . . ?
C153 C152 C151 123.2(5) . . ?
C153 C152 C157 116.4(5) . . ?
C157 C152 C151 120.4(4) . . ?
C152 C153 H153 119.0 . . ?
C154 C153 C152 122.0(5) . . ?
C154 C153 H153 119.0 . . ?
C153 C154 H154 119.8 . . ?
C153 C154 C155 120.5(6) . . ?
C155 C154 H154 119.8 . . ?
C154 C155 H155 120.0 . . ?
C156 C155 C154 120.0(6) . . ?
C156 C155 H155 120.0 . . ?
C155 C156 H156 119.7 . . ?
C155 C156 C157 120.5(6) . . ?
C157 C156 H156 119.7 . . ?
C156 C157 C152 120.4(5) . . ?
C156 C157 C158 120.9(5) . . ?
C158 C157 C152 118.7(5) . . ?
C157 C158 H158 119.7 . . ?
C159 C158 C157 120.6(5) . . ?
C159 C158 H158 119.7 . . ?
C158 C159 H159 120.1 . . ?
C158 C159 C160 119.8(5) . . ?
C160 C159 H159 120.1 . . ?
O8 C160 C159 116.0(4) . . ?
C151 C160 O8 120.6(4) . . ?
C151 C160 C159 123.2(4) . . ?
Cl3 Rh3 Cl4 83.59(4) . . ?
P5 Rh3 Cl3 175.45(4) . . ?
P5 Rh3 Cl4 93.27(4) . . ?
P6 Rh3 Cl3 88.26(4) . . ?
P6 Rh3 Cl4 171.22(4) . . ?
P6 Rh3 P5 95.05(5) . . ?
Cl3 Rh4 Cl4 83.45(4) . . ?
P7 Rh4 Cl3 170.19(5) . . ?
P7 Rh4 Cl4 94.22(4) . . ?
P8 Rh4 Cl3 88.10(5) . . ?
P8 Rh4 Cl4 170.09(5) . . ?
P8 Rh4 P7 94.97(5) . . ?
Rh4 Cl3 Rh3 96.03(4) . . ?
Rh3 Cl4 Rh4 93.63(4) . . ?
O9 P5 Rh3 118.16(13) . . ?
O9 P5 O10 99.96(18) . . ?
O9 P5 N5 94.92(19) . . ?
O10 P5 Rh3 113.67(14) . . ?
O10 P5 N5 110.15(18) . . ?
N5 P5 Rh3 117.37(15) . . ?
O11 P6 Rh3 115.13(13) . . ?
O11 P6 N6 109.76(19) . . ?
O12 P6 Rh3 116.55(13) . . ?
O12 P6 O11 100.27(17) . . ?
O12 P6 N6 94.64(19) . . ?
N6 P6 Rh3 117.53(15) . . ?
O13 P7 Rh4 113.88(12) . . ?
O13 P7 O14 100.42(17) . . ?
O13 P7 N7 96.83(18) . . ?
O14 P7 Rh4 112.98(14) . . ?
O14 P7 N7 109.06(18) . . ?
N7 P7 Rh4 120.79(13) . . ?
O15 P8 Rh4 113.17(14) . . ?
O15 P8 N8 111.7(2) . . ?
O16 P8 Rh4 117.64(14) . . ?
O16 P8 O15 100.04(19) . . ?
O16 P8 N8 94.0(2) . . ?
N8 P8 Rh4 117.67(17) . . ?
C181 O9 P5 122.9(3) . . ?
C200 O10 P5 121.9(3) . . ?
C221 O11 P6 121.1(3) . . ?
C240 O12 P6 120.4(3) . . ?
C261 O13 P7 121.5(3) . . ?
C280 O14 P7 120.4(3) . . ?
C301 O15 P8 123.4(3) . . ?
C320 O16 P8 118.0(3) . . ?
C161 N5 P5 119.2(3) . . ?
C161 N5 C174 115.0(4) . . ?
C174 N5 P5 125.5(3) . . ?
C201 N6 P6 120.4(3) . . ?
C214 N6 P6 126.3(3) . . ?
C214 N6 C201 112.7(4) . . ?
C241 N7 P7 121.3(3) . . ?
C241 N7 C254 115.1(4) . . ?
C254 N7 P7 123.5(3) . . ?
C281 N8 P8 120.7(4) . . ?
C281 N8 C294 112.4(4) . . ?
C294 N8 P8 126.5(4) . . ?
C162 C161 N5 119.1(4) . . ?
C162 C161 C166 121.2(4) . . ?
C166 C161 N5 119.7(4) . . ?
C161 C162 H162 119.8 . . ?
C161 C162 C163 120.5(4) . . ?
C163 C162 H162 119.8 . . ?
C162 C163 H163 120.3 . . ?
C164 C163 C162 119.5(5) . . ?
C164 C163 H163 120.3 . . ?
C163 C164 H164 119.9 . . ?
C165 C164 C163 120.2(5) . . ?
C165 C164 H164 119.9 . . ?
C164 C165 H165 119.3 . . ?
C164 C165 C166 121.5(5) . . ?
C166 C165 H165 119.3 . . ?
C161 C166 C165 117.0(4) . . ?
C161 C166 C167 124.0(4) . . ?
C165 C166 C167 119.0(4) . . ?
C166 C167 C175 117.2(4) . . ?
C168 C167 C166 125.1(4) . . ?
C168 C167 C175 117.6(4) . . ?
C167 C168 H168 115.6 . . ?
C167 C168 C169 128.9(5) . . ?
C169 C168 H168 115.6 . . ?
C170 C169 C168 119.3(4) . . ?
C170 C169 C174 118.1(5) . . ?
C174 C169 C168 122.6(5) . . ?
C169 C170 H170 119.5 . . ?
C171 C170 C169 120.9(5) . . ?
C171 C170 H170 119.5 . . ?
C170 C171 H171 120.0 . . ?
C170 C171 C172 120.0(5) . . ?
C172 C171 H171 120.0 . . ?
C171 C172 H172 120.1 . . ?
C173 C172 C171 119.9(5) . . ?
C173 C172 H172 120.1 . . ?
C172 C173 H173 120.1 . . ?
C172 C173 C174 119.8(5) . . ?
C174 C173 H173 120.1 . . ?
C169 C174 N5 119.6(4) . . ?
C173 C174 N5 119.5(4) . . ?
C173 C174 C169 120.9(5) . . ?
C176 C175 C167 120.1(5) . . ?
C180 C175 C167 121.3(5) . . ?
C180 C175 C176 118.6(5) . . ?
C175 C176 H176 120.1 . . ?
C177 C176 C175 119.8(6) . . ?
C177 C176 H176 120.1 . . ?
C176 C177 H177 119.3 . . ?
C178 C177 C176 121.3(6) . . ?
C178 C177 H177 119.3 . . ?
C177 C178 H178 120.4 . . ?
C177 C178 C179 119.2(5) . . ?
C179 C178 H178 120.4 . . ?
C178 C179 H179 120.0 . . ?
C178 C179 C180 120.0(6) . . ?
C180 C179 H179 120.0 . . ?
C175 C180 C179 120.9(5) . . ?
C175 C180 H180 119.5 . . ?
C179 C180 H180 119.5 . . ?
O9 C181 C182 116.1(5) . . ?
O9 C181 C190 119.8(4) . . ?
C190 C181 C182 123.8(5) . . ?
C181 C182 H182 120.5 . . ?
C183 C182 C181 119.0(5) . . ?
C183 C182 H182 120.5 . . ?
C182 C183 H183 119.7 . . ?
C182 C183 C184 120.7(5) . . ?
C184 C183 H183 119.7 . . ?
C183 C184 C185 121.0(6) . . ?
C183 C184 C189 119.9(5) . . ?
C185 C184 C189 119.0(6) . . ?
C184 C185 H185 119.7 . . ?
C186 C185 C184 120.6(7) . . ?
C186 C185 H185 119.7 . . ?
C185 C186 H186 118.9 . . ?
C185 C186 C187 122.2(7) . . ?
C187 C186 H186 118.9 . . ?
C186 C187 H187 120.1 . . ?
C188 C187 C186 119.8(8) . . ?
C188 C187 H187 120.1 . . ?
C187 C188 H188 120.1 . . ?
C187 C188 C189 119.7(7) . . ?
C189 C188 H188 120.1 . . ?
C184 C189 C188 118.5(5) . . ?
C184 C189 C190 120.3(5) . . ?
C188 C189 C190 121.0(5) . . ?
C181 C190 C189 115.9(5) . . ?
C181 C190 C191 120.6(4) . . ?
C189 C190 C191 123.5(5) . . ?
C192 C191 C190 121.8(5) . . ?
C200 C191 C190 121.2(4) . . ?
C200 C191 C192 117.0(4) . . ?
C193 C192 C191 122.7(5) . . ?
C193 C192 C197 118.0(5) . . ?
C197 C192 C191 119.2(5) . . ?
C192 C193 H193 119.8 . . ?
C194 C193 C192 120.3(6) . . ?
C194 C193 H193 119.8 . . ?
C193 C194 H194 119.2 . . ?
C193 C194 C195 121.7(7) . . ?
C195 C194 H194 119.2 . . ?
C194 C195 H195 120.1 . . ?
C196 C195 C194 119.8(6) . . ?
C196 C195 H195 120.1 . . ?
C195 C196 H196 119.3 . . ?
C195 C196 C197 121.5(6) . . ?
C197 C196 H196 119.3 . . ?
C192 C197 C196 118.6(6) . . ?
C198 C197 C192 119.7(5) . . ?
C198 C197 C196 121.7(5) . . ?
C197 C198 H198 119.5 . . ?
C199 C198 C197 121.0(5) . . ?
C199 C198 H198 119.5 . . ?
C198 C199 H199 120.4 . . ?
C198 C199 C200 119.2(5) . . ?
C200 C199 H199 120.4 . . ?
O10 C200 C199 115.9(4) . . ?
C191 C200 O10 120.5(4) . . ?
C191 C200 C199 123.5(5) . . ?
C202 C201 N6 119.4(4) . . ?
C202 C201 C206 121.7(5) . . ?
C206 C201 N6 118.8(4) . . ?
C201 C202 H202 119.8 . . ?
C201 C202 C203 120.4(5) . . ?
C203 C202 H202 119.8 . . ?
C202 C203 H203 120.4 . . ?
C202 C203 C204 119.3(5) . . ?
C204 C203 H203 120.4 . . ?
C203 C204 H204 120.1 . . ?
C205 C204 C203 119.8(5) . . ?
C205 C204 H204 120.1 . . ?
C204 C205 H205 118.9 . . ?
C204 C205 C206 122.2(5) . . ?
C206 C205 H205 118.9 . . ?
C201 C206 C205 116.5(5) . . ?
C201 C206 C207 124.0(5) . . ?
C205 C206 C207 119.3(5) . . ?
C206 C207 C215 118.3(5) . . ?
C208 C207 C206 123.3(5) . . ?
C208 C207 C215 118.3(5) . . ?
C207 C208 H208 116.1 . . ?
C207 C208 C209 127.7(5) . . ?
C209 C208 H208 116.1 . . ?
C210 C209 C208 119.7(5) . . ?
C214 C209 C208 123.5(5) . . ?
C214 C209 C210 116.7(5) . . ?
C209 C210 H210 119.0 . . ?
C211 C210 C209 121.9(6) . . ?
C211 C210 H210 119.0 . . ?
C210 C211 H211 120.1 . . ?
C210 C211 C212 119.9(5) . . ?
C212 C211 H211 120.1 . . ?
C211 C212 H212 120.4 . . ?
C213 C212 C211 119.3(5) . . ?
C213 C212 H212 120.4 . . ?
C212 C213 H213 119.6 . . ?
C212 C213 C214 120.7(5) . . ?
C214 C213 H213 119.6 . . ?
C209 C214 N6 118.4(4) . . ?
C213 C214 N6 120.1(4) . . ?
C213 C214 C209 121.4(5) . . ?
C216 C215 C207 120.8(5) . . ?
C220 C215 C207 121.2(5) . . ?
C220 C215 C216 118.0(5) . . ?
C215 C216 H216 119.6 . . ?
C217 C216 C215 120.8(7) . . ?
C217 C216 H216 119.6 . . ?
C216 C217 H217 119.5 . . ?
C218 C217 C216 121.0(7) . . ?
C218 C217 H217 119.5 . . ?
C217 C218 H218 120.3 . . ?
C217 C218 C219 119.5(6) . . ?
C219 C218 H218 120.3 . . ?
C218 C219 H219 120.2 . . ?
C218 C219 C220 119.6(7) . . ?
C220 C219 H219 120.2 . . ?
C215 C220 C219 121.1(7) . . ?
C215 C220 H220 119.5 . . ?
C219 C220 H220 119.5 . . ?
O11 C221 C222 115.4(5) . . ?
C230 C221 O11 121.4(5) . . ?
C230 C221 C222 123.2(5) . . ?
C221 C222 H222 120.8 . . ?
C223 C222 C221 118.4(6) . . ?
C223 C222 H222 120.8 . . ?
C222 C223 H223 119.5 . . ?
C222 C223 C224 121.0(6) . . ?
C224 C223 H223 119.5 . . ?
C223 C224 C225 121.4(6) . . ?
C223 C224 C229 120.3(5) . . ?
C229 C224 C225 118.3(7) . . ?
C224 C225 H225 119.6 . . ?
C226 C225 C224 120.8(7) . . ?
C226 C225 H225 119.6 . . ?
C225 C226 H226 119.6 . . ?
C225 C226 C227 120.8(6) . . ?
C227 C226 H226 119.6 . . ?
C226 C227 H227 119.5 . . ?
C228 C227 C226 121.0(8) . . ?
C228 C227 H227 119.5 . . ?
C227 C228 H228 120.0 . . ?
C227 C228 C229 120.0(7) . . ?
C229 C228 H228 120.0 . . ?
C224 C229 C230 119.1(6) . . ?
C228 C229 C224 119.0(5) . . ?
C228 C229 C230 121.9(6) . . ?
C221 C230 C229 117.6(5) . . ?
C221 C230 C231 120.7(4) . . ?
C229 C230 C231 121.7(5) . . ?
C232 C231 C230 123.3(5) . . ?
C240 C231 C230 118.8(4) . . ?
C240 C231 C232 117.9(5) . . ?
C233 C232 C231 122.8(6) . . ?
C237 C232 C231 119.8(5) . . ?
C237 C232 C233 117.3(5) . . ?
C232 C233 H233 119.9 . . ?
C234 C233 C232 120.2(7) . . ?
C234 C233 H233 119.9 . . ?
C233 C234 H234 119.5 . . ?
C233 C234 C235 120.9(7) . . ?
C235 C234 H234 119.5 . . ?
C234 C235 H235 119.7 . . ?
C236 C235 C234 120.6(7) . . ?
C236 C235 H235 119.7 . . ?
C235 C236 H236 119.7 . . ?
C235 C236 C237 120.6(8) . . ?
C237 C236 H236 119.7 . . ?
C236 C237 C232 120.2(6) . . ?
C236 C237 C238 120.6(7) . . ?
C238 C237 C232 119.1(5) . . ?
C237 C238 H238 119.4 . . ?
C239 C238 C237 121.1(5) . . ?
C239 C238 H238 119.4 . . ?
C238 C239 H239 120.5 . . ?
C238 C239 C240 119.1(5) . . ?
C240 C239 H239 120.5 . . ?
O12 C240 C231 120.3(4) . . ?
O12 C240 C239 116.9(4) . . ?
C231 C240 C239 122.5(5) . . ?
C242 C241 N7 118.8(4) . . ?
C242 C241 C246 120.4(4) . . ?
C246 C241 N7 120.9(4) . . ?
C241 C242 H242 119.7 . . ?
C243 C242 C241 120.5(4) . . ?
C243 C242 H242 119.7 . . ?
C242 C243 H243 120.1 . . ?
C244 C243 C242 119.7(4) . . ?
C244 C243 H243 120.1 . . ?
C243 C244 H244 120.1 . . ?
C243 C244 C245 119.7(4) . . ?
C245 C244 H244 120.1 . . ?
C244 C245 H245 118.9 . . ?
C244 C245 C246 122.1(4) . . ?
C246 C245 H245 118.9 . . ?
C241 C246 C247 123.9(4) . . ?
C245 C246 C241 117.4(4) . . ?
C245 C246 C247 118.7(4) . . ?
C246 C247 C255 116.9(4) . . ?
C248 C247 C246 125.0(4) . . ?
C248 C247 C255 117.9(4) . . ?
C247 C248 H248 115.8 . . ?
C247 C248 C249 128.4(4) . . ?
C249 C248 H248 115.8 . . ?
C250 C249 C248 118.5(4) . . ?
C250 C249 C254 117.6(4) . . ?
C254 C249 C248 123.7(4) . . ?
C249 C250 H250 119.5 . . ?
C251 C250 C249 120.9(4) . . ?
C251 C250 H250 119.5 . . ?
C250 C251 H251 119.7 . . ?
C250 C251 C252 120.6(5) . . ?
C252 C251 H251 119.7 . . ?
C251 C252 H252 120.2 . . ?
C253 C252 C251 119.5(5) . . ?
C253 C252 H252 120.2 . . ?
C252 C253 H253 119.9 . . ?
C252 C253 C254 120.3(4) . . ?
C254 C253 H253 119.9 . . ?
C249 C254 N7 118.9(4) . . ?
C253 C254 N7 120.5(4) . . ?
C253 C254 C249 120.6(4) . . ?
C256 C255 C247 120.3(4) . . ?
C260 C255 C247 120.9(4) . . ?
C260 C255 C256 118.8(4) . . ?
C255 C256 H256 119.7 . . ?
C257 C256 C255 120.7(5) . . ?
C257 C256 H256 119.7 . . ?
C256 C257 H257 120.1 . . ?
C258 C257 C256 119.9(4) . . ?
C258 C257 H257 120.1 . . ?
C257 C258 H258 120.1 . . ?
C259 C258 C257 119.9(4) . . ?
C259 C258 H258 120.1 . . ?
C258 C259 H259 119.7 . . ?
C258 C259 C260 120.6(5) . . ?
C260 C259 H259 119.7 . . ?
C255 C260 H260 119.9 . . ?
C259 C260 C255 120.1(4) . . ?
C259 C260 H260 119.9 . . ?
O13 C261 C262 116.8(4) . . ?
C270 C261 O13 120.0(4) . . ?
C270 C261 C262 123.0(4) . . ?
C261 C262 H262 120.5 . . ?
C263 C262 C261 118.9(4) . . ?
C263 C262 H262 120.5 . . ?
C262 C263 H263 119.6 . . ?
C262 C263 C264 120.7(4) . . ?
C264 C263 H263 119.6 . . ?
C263 C264 C265 121.3(4) . . ?
C263 C264 C269 119.6(4) . . ?
C269 C264 C265 119.0(4) . . ?
C264 C265 H265 119.2 . . ?
C266 C265 C264 121.6(4) . . ?
C266 C265 H265 119.2 . . ?
C265 C266 H266 120.2 . . ?
C265 C266 C267 119.5(5) . . ?
C267 C266 H266 120.2 . . ?
C266 C267 H267 119.8 . . ?
C268 C267 C266 120.5(5) . . ?
C268 C267 H267 119.8 . . ?
C267 C268 H268 119.2 . . ?
C267 C268 C269 121.7(4) . . ?
C269 C268 H268 119.2 . . ?
C264 C269 C268 117.7(4) . . ?
C264 C269 C270 119.4(4) . . ?
C270 C269 C268 122.8(4) . . ?
C261 C270 C269 117.9(4) . . ?
C261 C270 C271 119.6(4) . . ?
C269 C270 C271 122.4(4) . . ?
C272 C271 C270 121.8(4) . . ?
C280 C271 C270 120.9(4) . . ?
C280 C271 C272 117.3(4) . . ?
C273 C272 C271 122.2(4) . . ?
C273 C272 C277 118.4(4) . . ?
C277 C272 C271 119.3(5) . . ?
C272 C273 H273 119.2 . . ?
C274 C273 C272 121.5(5) . . ?
C274 C273 H273 119.2 . . ?
C273 C274 H274 120.1 . . ?
C273 C274 C275 119.7(5) . . ?
C275 C274 H274 120.1 . . ?
C274 C275 H275 120.0 . . ?
C276 C275 C274 120.0(5) . . ?
C276 C275 H275 120.0 . . ?
C275 C276 H276 119.1 . . ?
C275 C276 C277 121.7(5) . . ?
C277 C276 H276 119.1 . . ?
C276 C277 C272 118.5(5) . . ?
C278 C277 C272 119.3(5) . . ?
C278 C277 C276 122.1(4) . . ?
C277 C278 H278 119.4 . . ?
C279 C278 C277 121.2(4) . . ?
C279 C278 H278 119.4 . . ?
C278 C279 H279 120.5 . . ?
C278 C279 C280 119.0(5) . . ?
C280 C279 H279 120.5 . . ?
O14 C280 C279 116.5(4) . . ?
C271 C280 O14 120.2(4) . . ?
C271 C280 C279 123.2(4) . . ?
C282 C281 N8 120.2(5) . . ?
C282 C281 C286 121.5(5) . . ?
C286 C281 N8 118.3(5) . . ?
C281 C282 H282 119.9 . . ?
C281 C282 C283 120.2(5) . . ?
C283 C282 H282 119.9 . . ?
C282 C283 H283 120.1 . . ?
C284 C283 C282 119.8(5) . . ?
C284 C283 H283 120.1 . . ?
C283 C284 H284 120.2 . . ?
C283 C284 C285 119.7(6) . . ?
C285 C284 H284 120.2 . . ?
C284 C285 H285 119.1 . . ?
C284 C285 C286 121.7(6) . . ?
C286 C285 H285 119.1 . . ?
C281 C286 C285 117.1(5) . . ?
C281 C286 C287 121.9(6) . . ?
C285 C286 C287 120.9(5) . . ?
C288 C287 C286 121.3(5) . . ?
C288 C287 C295 122.1(6) . . ?
C295 C287 C286 116.6(6) . . ?
C287 C288 H288 115.1 . . ?
C287 C288 C289 129.8(6) . . ?
C289 C288 H288 115.1 . . ?
C290 C289 C288 120.5(6) . . ?
C294 C289 C288 121.3(6) . . ?
C294 C289 C290 118.2(6) . . ?
C289 C290 H290 120.2 . . ?
C291 C290 C289 119.6(6) . . ?
C291 C290 H290 120.2 . . ?
C290 C291 H291 119.4 . . ?
C292 C291 C290 121.3(6) . . ?
C292 C291 H291 119.4 . . ?
C291 C292 H292 119.9 . . ?
C291 C292 C293 120.2(6) . . ?
C293 C292 H292 119.9 . . ?
C292 C293 H293 120.6 . . ?
C294 C293 C292 118.8(6) . . ?
C294 C293 H293 120.6 . . ?
C289 C294 N8 117.8(5) . . ?
C293 C294 N8 120.3(5) . . ?
C293 C294 C289 121.9(6) . . ?
C296 C295 C287 121.2(6) . . ?
C300 C295 C287 121.6(5) . . ?
C300 C295 C296 117.2(6) . . ?
C295 C296 H296 119.6 . . ?
C297 C296 C295 120.9(7) . . ?
C297 C296 H296 119.6 . . ?
C296 C297 H297 119.8 . . ?
C296 C297 C298 120.5(6) . . ?
C298 C297 H297 119.8 . . ?
C297 C298 H298 120.7 . . ?
C299 C298 C297 118.6(6) . . ?
C299 C298 H298 120.7 . . ?
C298 C299 H299 119.9 . . ?
C300 C299 C298 120.3(7) . . ?
C300 C299 H299 119.9 . . ?
C295 C300 C299 122.3(6) . . ?
C295 C300 H300 118.8 . . ?
C299 C300 H300 118.8 . . ?
O15 C301 C302 115.3(5) . . ?
C310 C301 O15 121.9(5) . . ?
C310 C301 C302 122.5(5) . . ?
C301 C302 H302 120.4 . . ?
C303 C302 C301 119.1(6) . . ?
C303 C302 H302 120.4 . . ?
C302 C303 H303 119.6 . . ?
C302 C303 C304 120.9(6) . . ?
C304 C303 H303 119.6 . . ?
C303 C304 C305 121.3(7) . . ?
C303 C304 C309 119.9(5) . . ?
C309 C304 C305 118.8(7) . . ?
C304 C305 H305 119.7 . . ?
C306 C305 C304 120.6(7) . . ?
C306 C305 H305 119.7 . . ?
C305 C306 H306 120.0 . . ?
C305 C306 C307 119.9(6) . . ?
C307 C306 H306 120.0 . . ?
C306 C307 H307 119.7 . . ?
C308 C307 C306 120.5(8) . . ?
C308 C307 H307 119.7 . . ?
C307 C308 H308 119.2 . . ?
C307 C308 C309 121.5(8) . . ?
C309 C308 H308 119.2 . . ?
C304 C309 C308 118.3(6) . . ?
C304 C309 C310 118.7(6) . . ?
C308 C309 C310 123.0(6) . . ?
C301 C310 C309 118.2(5) . . ?
C301 C310 C311 120.8(4) . . ?
C309 C310 C311 121.0(5) . . ?
C312 C311 C310 124.0(4) . . ?
C320 C311 C310 119.7(5) . . ?
C320 C311 C312 116.3(5) . . ?
C313 C312 C311 122.8(5) . . ?
C313 C312 C317 117.8(5) . . ?
C317 C312 C311 119.4(5) . . ?
C312 C313 H313 119.5 . . ?
C314 C313 C312 121.0(5) . . ?
C314 C313 H313 119.5 . . ?
C313 C314 H314 119.4 . . ?
C313 C314 C315 121.3(5) . . ?
C315 C314 H314 119.4 . . ?
C314 C315 H315 120.5 . . ?
C316 C315 C314 119.1(6) . . ?
C316 C315 H315 120.5 . . ?
C315 C316 H316 119.5 . . ?
C315 C316 C317 121.1(6) . . ?
C317 C316 H316 119.5 . . ?
C316 C317 C312 119.8(5) . . ?
C318 C317 C312 120.1(5) . . ?
C318 C317 C316 120.0(5) . . ?
C317 C318 H318 119.9 . . ?
C319 C318 C317 120.1(5) . . ?
C319 C318 H318 119.9 . . ?
C318 C319 H319 119.8 . . ?
C318 C319 C320 120.3(5) . . ?
C320 C319 H319 119.8 . . ?
O16 C320 C319 117.4(4) . . ?
C311 C320 O16 119.0(5) . . ?
C311 C320 C319 123.4(5) . . ?
C402 C401 H401 121.2 . . ?
C406 C401 H401 121.2 . . ?
C406 C401 C402 117.7(10) . . ?
C401 C402 H402 121.0 . . ?
C403 C402 C401 118.1(10) . . ?
C403 C402 H402 121.0 . . ?
C402 C403 H403 119.1 . . ?
C402 C403 C404 121.9(8) . . ?
C404 C403 H403 119.1 . . ?
C403 C404 H404 119.8 . . ?
C405 C404 C403 120.5(9) . . ?
C405 C404 H404 119.8 . . ?
C404 C405 H405 120.4 . . ?
C406 C405 C404 119.2(9) . . ?
C406 C405 H405 120.4 . . ?
C401 C406 H406 118.6 . . ?
C405 C406 C401 122.7(8) . . ?
C405 C406 H406 118.6 . . ?
C412 C411 H411 119.6 . . ?
C416 C411 H411 119.6 . . ?
C416 C411 C412 120.7(6) . . ?
C411 C412 H412 120.4 . . ?
C413 C412 C411 119.3(7) . . ?
C413 C412 H412 120.4 . . ?
C412 C413 H413 119.8 . . ?
C414 C413 C412 120.4(6) . . ?
C414 C413 H413 119.8 . . ?
C413 C414 H414 120.0 . . ?
C413 C414 C415 120.0(6) . . ?
C415 C414 H414 120.0 . . ?
C414 C415 H415 120.0 . . ?
C416 C415 C414 120.0(7) . . ?
C416 C415 H415 120.0 . . ?
C411 C416 C415 119.6(6) . . ?
C411 C416 H416 120.2 . . ?
C415 C416 H416 120.2 . . ?
C422 C421 H421 119.9 . . ?
C422 C421 C426 120.2(6) . . ?
C426 C421 H421 119.9 . . ?
C421 C422 H422 119.5 . . ?
C421 C422 C423 120.9(7) . . ?
C423 C422 H422 119.5 . . ?
C422 C423 H423 120.1 . . ?
C424 C423 C422 119.9(7) . . ?
C424 C423 H423 120.1 . . ?
C423 C424 H424 120.1 . . ?
C423 C424 C425 119.7(6) . . ?
C425 C424 H424 120.1 . . ?
C424 C425 H425 119.7 . . ?
C424 C425 C426 120.6(6) . . ?
C426 C425 H425 119.7 . . ?
C421 C426 H426 120.7 . . ?
C425 C426 C421 118.6(7) . . ?
C425 C426 H426 120.7 . . ?
C432 C431 H431 120.1 . . ?
C432 C431 C436 119.8(9) . . ?
C436 C431 H431 120.1 . . ?
C431 C432 H432 120.7 . . ?
C433 C432 C431 118.6(9) . . ?
C433 C432 H432 120.7 . . ?
C432 C433 H433 119.2 . . ?
C434 C433 C432 121.6(8) . . ?
C434 C433 H433 119.2 . . ?
C433 C434 H434 120.1 . . ?
C433 C434 C435 119.7(8) . . ?
C435 C434 H434 120.1 . . ?
C434 C435 H435 119.6 . . ?
C436 C435 C434 120.8(8) . . ?
C436 C435 H435 119.6 . . ?
C431 C436 H436 120.2 . . ?
C435 C436 C431 119.5(9) . . ?
C435 C436 H436 120.2 . . ?
C442 C441 H441 119.8 . . ?
C442 C441 C446 120.3(7) . . ?
C446 C441 H441 119.8 . . ?
C441 C442 H442 120.2 . . ?
C441 C442 C443 119.5(7) . . ?
C443 C442 H442 120.2 . . ?
C442 C443 H443 119.8 . . ?
C442 C443 C444 120.3(7) . . ?
C444 C443 H443 119.8 . . ?
C443 C444 H444 120.0 . . ?
C445 C444 C443 120.0(7) . . ?
C445 C444 H444 120.0 . . ?
C444 C445 H445 120.1 . . ?
C446 C445 C444 119.7(7) . . ?
C446 C445 H445 120.1 . . ?
C441 C446 H446 120.0 . . ?
C445 C446 C441 120.1(6) . . ?
C445 C446 H446 120.0 . . ?
C452 C451 H451 120.7 . . ?
C452 C451 C456 118.5(11) . . ?
C456 C451 H451 120.7 . . ?
C451 C452 H452 119.2 . . ?
C453 C452 C451 121.7(12) . . ?
C453 C452 H452 119.2 . . ?
C452 C453 H453 120.4 . . ?
C454 C453 C452 119.3(13) . . ?
C454 C453 H453 120.4 . . ?
C453 C454 H454 118.3 . . ?
C453 C454 C455 123.5(11) . . ?
C455 C454 H454 118.3 . . ?
C454 C455 H455 120.7 . . ?
C454 C455 C456 118.6(11) . . ?
C456 C455 H455 120.7 . . ?
C451 C456 H456 120.9 . . ?
C455 C456 C451 118.3(13) . . ?
C455 C456 H456 120.9 . . ?
C462 C461 H461 120.0 . . ?
C462 C461 C466 120.0 . . ?
C466 C461 H461 120.0 . . ?
C461 C462 H462 120.0 . . ?
C463 C462 C461 120.0 . . ?
C463 C462 H462 120.0 . . ?
C462 C463 H463 120.0 . . ?
C464 C463 C462 120.0 . . ?
C464 C463 H463 120.0 . . ?
C463 C464 H464 120.0 . . ?
C463 C464 C465 120.0 . . ?
C465 C464 H464 120.0 . . ?
C464 C465 H465 120.0 . . ?
C464 C465 C466 120.0 . . ?
C466 C465 H465 120.0 . . ?
C461 C466 H466 120.0 . . ?
C465 C466 C461 120.0 . . ?
C465 C466 H466 120.0 . . ?
C472 C471 H471 118.0 . . ?
C476 C471 H471 118.0 . . ?
C476 C471 C472 124.0(11) . . ?
C471 C472 H472 123.4 . . ?
C473 C472 C471 113.3(11) . . ?
C473 C472 H472 123.4 . . ?
C472 C473 H473 118.8 . . ?
C472 C473 C474 122.4(11) . . ?
C474 C473 H473 118.8 . . ?
C473 C474 H474 122.5 . . ?
C475 C474 C473 115.0(13) . . ?
C475 C474 H474 122.5 . . ?
C474 C475 H475 120.3 . . ?
C476 C475 C474 119.4(14) . . ?
C476 C475 H475 120.3 . . ?
C471 C476 C475 123.4(12) . . ?
C471 C476 H476 118.3 . . ?
C475 C476 H476 118.3 . . ?
C482 C481 H481 119.7 . . ?
C486 C481 H481 119.7 . . ?
C486 C481 C482 120.7(14) . . ?
C481 C482 H482 119.8 . . ?
C483 C482 C481 120.4(12) . . ?
C483 C482 H482 119.8 . . ?
C482 C483 H483 121.6 . . ?
C484 C483 C482 116.8(11) . . ?
C484 C483 H483 121.6 . . ?
C483 C484 H484 118.1 . . ?
C485 C484 C483 123.9(12) . . ?
C485 C484 H484 118.1 . . ?
C484 C485 H485 119.9 . . ?
C484 C485 C486 120.3(11) . . ?
C486 C485 H485 119.9 . . ?
C481 C486 C485 117.9(14) . . ?
C481 C486 H486 121.0 . . ?
C485 C486 H486 121.0 . . ?
C492 C491 H491 119.6 . . ?
C492 C491 C496 120.8(8) . . ?
C496 C491 H491 119.6 . . ?
C491 C492 H492 119.9 . . ?
C491 C492 C493 120.3(8) . . ?
C493 C492 H492 119.9 . . ?
C492 C493 H493 120.6 . . ?
C494 C493 C492 118.9(7) . . ?
C494 C493 H493 120.6 . . ?
C493 C494 H494 119.5 . . ?
C495 C494 C493 121.0(7) . . ?
C495 C494 H494 119.5 . . ?
C494 C495 H495 120.3 . . ?
C494 C495 C496 119.4(8) . . ?
C496 C495 H495 120.3 . . ?
C491 C496 C495 119.5(9) . . ?
C491 C496 H496 120.2 . . ?
C495 C496 H496 120.2 . . ?
C502 C501 H501 119.0 . . ?
C502 C501 C506 121.9(12) . . ?
C506 C501 H501 119.0 . . ?
C501 C502 H502 119.5 . . ?
C501 C502 C503 121.1(15) . . ?
C503 C502 H502 119.5 . . ?
C502 C503 H503 122.4 . . ?
C502 C503 C504 115.1(14) . . ?
C504 C503 H503 122.4 . . ?
C503 C504 H504 119.2 . . ?
C505 C504 C503 121.6(13) . . ?
C505 C504 H504 119.2 . . ?
C504 C505 H505 119.5 . . ?
C504 C505 C506 121.0(16) . . ?
C506 C505 H505 119.5 . . ?
C501 C506 H506 120.4 . . ?
C505 C506 C501 119.1(15) . . ?
C505 C506 H506 120.4 . . ?
C512 C511 H511 119.9 . . ?
C516 C511 H511 119.9 . . ?
C516 C511 C512 120.1(8) . . ?
C511 C512 H512 119.7 . . ?
C513 C512 C511 120.7(8) . . ?
C513 C512 H512 119.7 . . ?
C512 C513 H513 119.9 . . ?
C512 C513 C514 120.2(9) . . ?
C514 C513 H513 119.9 . . ?
C513 C514 H514 120.1 . . ?
C513 C514 C515 119.7(10) . . ?
C515 C514 H514 120.1 . . ?
C514 C515 H515 120.3 . . ?
C516 C515 C514 119.4(8) . . ?
C516 C515 H515 120.3 . . ?
C511 C516 H516 120.0 . . ?
C515 C516 C511 120.0(8) . . ?
C515 C516 H516 120.0 . . ?
C522 C521 H521 120.0 . . ?
C522 C521 C526 120.0 . . ?
C526 C521 H521 120.0 . . ?
C521 C522 H522 120.0 . . ?
C523 C522 C521 120.0 . . ?
C523 C522 H522 120.0 . . ?
C522 C523 H523 120.0 . . ?
C522 C523 C524 120.0 . . ?
C524 C523 H523 120.0 . . ?
C523 C524 H524 120.0 . . ?
C525 C524 C523 120.0 . . ?
C525 C524 H524 120.0 . . ?
C524 C525 H525 120.0 . . ?
C524 C525 C526 120.0 . . ?
C526 C525 H525 120.0 . . ?
C521 C526 H526 120.0 . . ?
C525 C526 C521 120.0 . . ?
C525 C526 H526 120.0 . . ?
C532 C531 H531 120.6 . . ?
C536 C531 H531 120.6 . . ?
C536 C531 C532 118.9(11) . . ?
C531 C532 H532 119.4 . . ?
C533 C532 C531 121.2(11) . . ?
C533 C532 H532 119.4 . . ?
C532 C533 H533 120.6 . . ?
C534 C533 C532 118.9(11) . . ?
C534 C533 H533 120.6 . . ?
C533 C534 H534 119.8 . . ?
C533 C534 C535 120.4(12) . . ?
C535 C534 H534 119.8 . . ?
C534 C535 H535 119.5 . . ?
C536 C535 C534 121.1(12) . . ?
C536 C535 H535 119.5 . . ?
C531 C536 H536 120.2 . . ?
C535 C536 C531 119.7(11) . . ?
C535 C536 H536 120.2 . . ?
C542 C541 H541 119.5 . . ?
C542 C541 C546 120.9(11) . . ?
C546 C541 H541 119.5 . . ?
C541 C542 H542 119.2 . . ?
C541 C542 C543 121.7(11) . . ?
C543 C542 H542 119.2 . . ?
C542 C543 H543 120.2 . . ?
C544 C543 C542 119.6(12) . . ?
C544 C543 H543 120.2 . . ?
C543 C544 H544 120.6 . . ?
C543 C544 C545 118.9(11) . . ?
C545 C544 H544 120.6 . . ?
C544 C545 H545 119.6 . . ?
C546 C545 C544 120.7(11) . . ?
C546 C545 H545 119.6 . . ?
C541 C546 H546 120.9 . . ?
C545 C546 C541 118.2(12) . . ?
C545 C546 H546 120.9 . . ?
H55A C551 H55B 109.5 . . ?
H55A C551 H55C 109.5 . . ?
H55B C551 H55C 109.5 . . ?
C552 C551 H55A 109.5 . . ?
C552 C551 H55B 109.5 . . ?
C552 C551 H55C 109.5 . . ?
C551 C552 H55D 101.8 . . ?
C551 C552 H55E 101.8 . . ?
C551 C552 C553 141(2) . . ?
H55D C552 H55E 104.7 . . ?
C553 C552 H55D 101.8 . . ?
C553 C552 H55E 101.8 . . ?
C552 C553 H55F 103.9 . . ?
C552 C553 H55G 103.9 . . ?
C552 C553 C554 133.2(18) . . ?
H55F C553 H55G 105.4 . . ?
C554 C553 H55F 103.9 . . ?
C554 C553 H55G 103.9 . . ?
C553 C554 H55H 105.6 . . ?
C553 C554 H55I 105.6 . . ?
H55H C554 H55I 106.1 . . ?
C555 C554 C553 126.8(16) . . ?
C555 C554 H55H 105.6 . . ?
C555 C554 H55I 105.6 . . ?
C554 C555 H55J 109.5 . . ?
C554 C555 H55K 109.5 . . ?
C554 C555 H55L 109.5 . . ?
H55J C555 H55K 109.5 . . ?
H55J C555 H55L 109.5 . . ?
H55K C555 H55L 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 C21 -166.9(3) . . . . ?
Rh1 P1 O2 C40 71.6(3) . . . . ?
Rh1 P1 N1 C1 -39.5(4) . . . . ?
Rh1 P1 N1 C14 132.5(3) . . . . ?
Rh1 P2 O3 C61 79.6(4) . . . . ?
Rh1 P2 O4 C80 -169.4(3) . . . . ?
Rh1 P2 N2 C41 -37.7(4) . . . . ?
Rh1 P2 N2 C54 132.5(4) . . . . ?
Rh2 P3 O5 C101 -174.6(3) . . . . ?
Rh2 P3 O6 C120 84.0(3) . . . . ?
Rh2 P3 N3 C81 -26.5(4) . . . . ?
Rh2 P3 N3 C94 148.9(3) . . . . ?
Rh2 P4 O7 C141 72.9(3) . . . . ?
Rh2 P4 O8 C160 -165.5(3) . . . . ?
Rh2 P4 N4 C121 -31.1(4) . . . . ?
Rh2 P4 N4 C134 143.0(4) . . . . ?
P1 O1 C21 C22 -115.4(4) . . . . ?
P1 O1 C21 C30 69.6(5) . . . . ?
P1 O2 C40 C31 77.1(5) . . . . ?
P1 O2 C40 C39 -106.6(4) . . . . ?
P1 N1 C1 C2 65.0(5) . . . . ?
P1 N1 C1 C6 -115.5(4) . . . . ?
P1 N1 C14 C9 120.2(4) . . . . ?
P1 N1 C14 C13 -61.1(5) . . . . ?
P2 O3 C61 C62 -109.8(4) . . . . ?
P2 O3 C61 C70 76.6(5) . . . . ?
P2 O4 C80 C71 70.4(6) . . . . ?
P2 O4 C80 C79 -111.8(5) . . . . ?
P2 N2 C41 C42 61.9(6) . . . . ?
P2 N2 C41 C46 -120.0(4) . . . . ?
P2 N2 C54 C49 117.5(5) . . . . ?
P2 N2 C54 C53 -62.0(7) . . . . ?
P3 O5 C101 C102 -110.9(4) . . . . ?
P3 O5 C101 C110 71.5(5) . . . . ?
P3 O6 C120 C111 74.3(5) . . . . ?
P3 O6 C120 C119 -109.2(4) . . . . ?
P3 N3 C81 C82 60.1(5) . . . . ?
P3 N3 C81 C86 -120.4(4) . . . . ?
P3 N3 C94 C89 115.9(4) . . . . ?
P3 N3 C94 C93 -63.5(6) . . . . ?
P4 O7 C141 C142 -108.7(4) . . . . ?
P4 O7 C141 C150 75.9(5) . . . . ?
P4 O8 C160 C151 71.5(5) . . . . ?
P4 O8 C160 C159 -114.2(4) . . . . ?
P4 N4 C121 C122 65.1(6) . . . . ?
P4 N4 C121 C126 -115.6(5) . . . . ?
P4 N4 C134 C129 112.1(5) . . . . ?
P4 N4 C134 C133 -67.2(6) . . . . ?
O1 P1 O2 C40 -49.9(3) . . . . ?
O1 P1 N1 C1 90.5(4) . . . . ?
O1 P1 N1 C14 -97.4(4) . . . . ?
O1 C21 C22 C23 -175.3(4) . . . . ?
O1 C21 C30 C29 -179.5(4) . . . . ?
O1 C21 C30 C31 1.5(6) . . . . ?
O2 P1 O1 C21 -40.5(4) . . . . ?
O2 P1 N1 C1 -166.8(3) . . . . ?
O2 P1 N1 C14 5.2(4) . . . . ?
O3 P2 O4 C80 -45.9(4) . . . . ?
O3 P2 N2 C41 -158.7(4) . . . . ?
O3 P2 N2 C54 11.5(5) . . . . ?
O3 C61 C62 C63 -173.8(5) . . . . ?
O3 C61 C70 C69 178.7(4) . . . . ?
O3 C61 C70 C71 -2.5(7) . . . . ?
O4 P2 O3 C61 -45.4(4) . . . . ?
O4 P2 N2 C41 98.4(4) . . . . ?
O4 P2 N2 C54 -91.4(5) . . . . ?
O5 P3 O6 C120 -39.3(4) . . . . ?
O5 P3 N3 C81 107.5(3) . . . . ?
O5 P3 N3 C94 -77.1(4) . . . . ?
O5 C101 C102 C103 175.6(4) . . . . ?
O5 C101 C110 C109 -170.7(4) . . . . ?
O5 C101 C110 C111 8.1(7) . . . . ?
O6 P3 O5 C101 -51.9(3) . . . . ?
O6 P3 N3 C81 -149.0(3) . . . . ?
O6 P3 N3 C94 26.4(4) . . . . ?
O7 P4 O8 C160 -39.6(4) . . . . ?
O7 P4 N4 C121 -155.3(4) . . . . ?
O7 P4 N4 C134 18.9(4) . . . . ?
O7 C141 C142 C143 -177.5(4) . . . . ?
O7 C141 C150 C149 -177.3(4) . . . . ?
O7 C141 C150 C151 1.4(7) . . . . ?
O8 P4 O7 C141 -51.3(4) . . . . ?
O8 P4 N4 C121 102.7(4) . . . . ?
O8 P4 N4 C134 -83.1(4) . . . . ?
N1 P1 O1 C21 59.1(4) . . . . ?
N1 P1 O2 C40 -160.6(3) . . . . ?
N1 C1 C2 C3 -178.9(4) . . . . ?
N1 C1 C6 C5 178.5(4) . . . . ?
N1 C1 C6 C7 -6.3(7) . . . . ?
N2 P2 O3 C61 -156.4(4) . . . . ?
N2 P2 O4 C80 53.7(4) . . . . ?
N2 C41 C42 C43 179.0(4) . . . . ?
N2 C41 C46 C45 -178.9(5) . . . . ?
N2 C41 C46 C47 -3.1(8) . . . . ?
N3 P3 O5 C101 49.3(3) . . . . ?
N3 P3 O6 C120 -149.8(3) . . . . ?
N3 C81 C82 C83 -176.9(4) . . . . ?
N3 C81 C86 C85 178.6(4) . . . . ?
N3 C81 C86 C87 -3.0(7) . . . . ?
N4 P4 O7 C141 -163.4(3) . . . . ?
N4 P4 O8 C160 59.8(4) . . . . ?
N4 C121 C122 C123 -179.6(5) . . . . ?
N4 C121 C126 C125 -179.2(5) . . . . ?
N4 C121 C126 C127 -1.5(8) . . . . ?
C1 N1 C14 C9 -67.3(5) . . . . ?
C1 N1 C14 C13 111.4(5) . . . . ?
C1 C2 C3 C4 -0.4(7) . . . . ?
C1 C6 C7 C8 -34.5(7) . . . . ?
C1 C6 C7 C15 149.1(5) . . . . ?
C2 C1 C6 C5 -1.9(7) . . . . ?
C2 C1 C6 C7 173.3(4) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C3 C4 C5 C6 -0.2(8) . . . . ?
C4 C5 C6 C1 1.3(7) . . . . ?
C4 C5 C6 C7 -174.1(5) . . . . ?
C5 C6 C7 C8 140.6(5) . . . . ?
C5 C6 C7 C15 -35.8(7) . . . . ?
C6 C1 C2 C3 1.5(7) . . . . ?
C6 C7 C8 C9 2.0(8) . . . . ?
C6 C7 C15 C16 -41.2(7) . . . . ?
C6 C7 C15 C20 142.0(6) . . . . ?
C7 C8 C9 C10 -145.7(5) . . . . ?
C7 C8 C9 C14 34.7(8) . . . . ?
C7 C15 C16 C17 -175.3(6) . . . . ?
C7 C15 C20 C19 175.8(7) . . . . ?
C8 C7 C15 C16 142.2(6) . . . . ?
C8 C7 C15 C20 -34.6(8) . . . . ?
C8 C9 C10 C11 179.1(5) . . . . ?
C8 C9 C14 N1 1.5(7) . . . . ?
C8 C9 C14 C13 -177.2(4) . . . . ?
C9 C10 C11 C12 -1.0(8) . . . . ?
C10 C9 C14 N1 -178.1(4) . . . . ?
C10 C9 C14 C13 3.2(7) . . . . ?
C10 C11 C12 C13 1.4(8) . . . . ?
C11 C12 C13 C14 0.5(7) . . . . ?
C12 C13 C14 N1 178.5(4) . . . . ?
C12 C13 C14 C9 -2.8(7) . . . . ?
C14 N1 C1 C2 -108.1(5) . . . . ?
C14 N1 C1 C6 71.5(5) . . . . ?
C14 C9 C10 C11 -1.3(7) . . . . ?
C15 C7 C8 C9 178.3(5) . . . . ?
C15 C16 C17 C18 0.0(12) . . . . ?
C16 C15 C20 C19 -0.9(10) . . . . ?
C16 C17 C18 C19 -1.9(15) . . . . ?
C17 C18 C19 C20 2.4(15) . . . . ?
C18 C19 C20 C15 -1.0(13) . . . . ?
C20 C15 C16 C17 1.4(10) . . . . ?
C21 C22 C23 C24 -3.6(7) . . . . ?
C21 C30 C31 C32 128.3(5) . . . . ?
C21 C30 C31 C40 -48.2(6) . . . . ?
C22 C21 C30 C29 5.9(7) . . . . ?
C22 C21 C30 C31 -173.2(4) . . . . ?
C22 C23 C24 C25 -177.1(5) . . . . ?
C22 C23 C24 C29 1.7(7) . . . . ?
C23 C24 C25 C26 176.3(5) . . . . ?
C23 C24 C29 C28 -174.3(4) . . . . ?
C23 C24 C29 C30 3.9(7) . . . . ?
C24 C25 C26 C27 -0.5(8) . . . . ?
C24 C29 C30 C21 -7.5(6) . . . . ?
C24 C29 C30 C31 171.5(4) . . . . ?
C25 C24 C29 C28 4.5(7) . . . . ?
C25 C24 C29 C30 -177.2(4) . . . . ?
C25 C26 C27 C28 1.4(8) . . . . ?
C26 C27 C28 C29 0.8(8) . . . . ?
C27 C28 C29 C24 -3.7(7) . . . . ?
C27 C28 C29 C30 178.1(5) . . . . ?
C28 C29 C30 C21 170.6(4) . . . . ?
C28 C29 C30 C31 -10.4(7) . . . . ?
C29 C24 C25 C26 -2.6(7) . . . . ?
C29 C30 C31 C32 -50.7(6) . . . . ?
C29 C30 C31 C40 132.8(5) . . . . ?
C30 C21 C22 C23 -0.4(7) . . . . ?
C30 C31 C32 C33 -5.6(7) . . . . ?
C30 C31 C32 C37 176.6(4) . . . . ?
C30 C31 C40 O2 -1.8(7) . . . . ?
C30 C31 C40 C39 -177.9(4) . . . . ?
C31 C32 C33 C34 -179.8(5) . . . . ?
C31 C32 C37 C36 -179.1(4) . . . . ?
C31 C32 C37 C38 3.3(7) . . . . ?
C32 C31 C40 O2 -178.5(4) . . . . ?
C32 C31 C40 C39 5.4(7) . . . . ?
C32 C33 C34 C35 -0.2(8) . . . . ?
C32 C37 C38 C39 2.1(7) . . . . ?
C33 C32 C37 C36 3.0(7) . . . . ?
C33 C32 C37 C38 -174.6(5) . . . . ?
C33 C34 C35 C36 1.4(9) . . . . ?
C34 C35 C36 C37 -0.4(9) . . . . ?
C35 C36 C37 C32 -1.8(8) . . . . ?
C35 C36 C37 C38 175.7(5) . . . . ?
C36 C37 C38 C39 -175.5(5) . . . . ?
C37 C32 C33 C34 -2.0(7) . . . . ?
C37 C38 C39 C40 -3.7(7) . . . . ?
C38 C39 C40 O2 -176.4(4) . . . . ?
C38 C39 C40 C31 -0.2(7) . . . . ?
C40 C31 C32 C33 171.0(5) . . . . ?
C40 C31 C32 C37 -6.8(7) . . . . ?
C41 N2 C54 C49 -71.6(6) . . . . ?
C41 N2 C54 C53 108.9(6) . . . . ?
C41 C42 C43 C44 -0.6(7) . . . . ?
C41 C46 C47 C48 -33.4(8) . . . . ?
C41 C46 C47 C55 151.8(5) . . . . ?
C42 C41 C46 C45 -0.7(7) . . . . ?
C42 C41 C46 C47 175.1(5) . . . . ?
C42 C43 C44 C45 0.3(8) . . . . ?
C43 C44 C45 C46 -0.2(8) . . . . ?
C44 C45 C46 C41 0.4(8) . . . . ?
C44 C45 C46 C47 -175.6(5) . . . . ?
C45 C46 C47 C48 142.3(6) . . . . ?
C45 C46 C47 C55 -32.5(7) . . . . ?
C46 C41 C42 C43 0.8(7) . . . . ?
C46 C47 C48 C49 -1.5(10) . . . . ?
C46 C47 C55 C56 129.7(6) . . . . ?
C46 C47 C55 C60 -49.5(8) . . . . ?
C47 C48 C49 C50 -144.1(7) . . . . ?
C47 C48 C49 C54 32.7(10) . . . . ?
C47 C55 C56 C57 -179.3(6) . . . . ?
C47 C55 C60 C59 -179.9(6) . . . . ?
C48 C47 C55 C56 -45.4(8) . . . . ?
C48 C47 C55 C60 135.4(6) . . . . ?
C48 C49 C50 C51 173.7(6) . . . . ?
C48 C49 C54 N2 8.2(8) . . . . ?
C48 C49 C54 C53 -172.3(6) . . . . ?
C49 C50 C51 C52 0.0(11) . . . . ?
C50 C49 C54 N2 -175.0(5) . . . . ?
C50 C49 C54 C53 4.6(9) . . . . ?
C50 C51 C52 C53 2.1(11) . . . . ?
C51 C52 C53 C54 -0.8(10) . . . . ?
C52 C53 C54 N2 176.9(5) . . . . ?
C52 C53 C54 C49 -2.6(9) . . . . ?
C54 N2 C41 C42 -109.5(5) . . . . ?
C54 N2 C41 C46 68.7(6) . . . . ?
C54 C49 C50 C51 -3.3(10) . . . . ?
C55 C47 C48 C49 173.2(6) . . . . ?
C55 C56 C57 C58 -1.1(11) . . . . ?
C56 C55 C60 C59 0.9(9) . . . . ?
C56 C57 C58 C59 1.5(12) . . . . ?
C57 C58 C59 C60 -0.7(11) . . . . ?
C58 C59 C60 C55 -0.6(10) . . . . ?
C60 C55 C56 C57 -0.1(9) . . . . ?
C61 C62 C63 C64 -3.0(8) . . . . ?
C61 C70 C71 C72 125.9(6) . . . . ?
C61 C70 C71 C80 -50.6(7) . . . . ?
C62 C61 C70 C69 5.4(7) . . . . ?
C62 C61 C70 C71 -175.7(5) . . . . ?
C62 C63 C64 C65 -175.7(6) . . . . ?
C62 C63 C64 C69 1.4(8) . . . . ?
C63 C64 C65 C66 175.3(6) . . . . ?
C63 C64 C69 C68 -174.3(5) . . . . ?
C63 C64 C69 C70 3.7(8) . . . . ?
C64 C65 C66 C67 -0.2(10) . . . . ?
C64 C69 C70 C61 -6.9(7) . . . . ?
C64 C69 C70 C71 174.3(5) . . . . ?
C65 C64 C69 C68 2.8(8) . . . . ?
C65 C64 C69 C70 -179.2(5) . . . . ?
C65 C66 C67 C68 1.0(10) . . . . ?
C66 C67 C68 C69 0.1(10) . . . . ?
C67 C68 C69 C64 -2.1(8) . . . . ?
C67 C68 C69 C70 -180.0(5) . . . . ?
C68 C69 C70 C61 171.0(5) . . . . ?
C68 C69 C70 C71 -7.8(8) . . . . ?
C69 C64 C65 C66 -1.8(9) . . . . ?
C69 C70 C71 C72 -55.3(7) . . . . ?
C69 C70 C71 C80 128.2(6) . . . . ?
C70 C61 C62 C63 -0.5(8) . . . . ?
C70 C71 C72 C73 -9.8(8) . . . . ?
C70 C71 C72 C77 175.3(5) . . . . ?
C70 C71 C80 O4 4.6(8) . . . . ?
C70 C71 C80 C79 -173.0(5) . . . . ?
C71 C72 C73 C74 -175.9(6) . . . . ?
C71 C72 C77 C76 179.1(6) . . . . ?
C71 C72 C77 C78 0.6(9) . . . . ?
C72 C71 C80 O4 -172.1(5) . . . . ?
C72 C71 C80 C79 10.3(8) . . . . ?
C72 C73 C74 C75 -2.4(10) . . . . ?
C72 C77 C78 C79 5.2(10) . . . . ?
C73 C72 C77 C76 4.0(9) . . . . ?
C73 C72 C77 C78 -174.5(6) . . . . ?
C73 C74 C75 C76 2.5(12) . . . . ?
C74 C75 C76 C77 0.8(13) . . . . ?
C75 C76 C77 C72 -4.0(11) . . . . ?
C75 C76 C77 C78 174.5(8) . . . . ?
C76 C77 C78 C79 -173.2(7) . . . . ?
C77 C72 C73 C74 -0.9(9) . . . . ?
C77 C78 C79 C80 -3.4(10) . . . . ?
C78 C79 C80 O4 177.6(5) . . . . ?
C78 C79 C80 C71 -4.7(9) . . . . ?
C80 C71 C72 C73 166.9(5) . . . . ?
C80 C71 C72 C77 -8.1(8) . . . . ?
C81 N3 C94 C89 -68.4(5) . . . . ?
C81 N3 C94 C93 112.2(5) . . . . ?
C81 C82 C83 C84 -2.4(8) . . . . ?
C81 C86 C87 C88 -30.3(8) . . . . ?
C81 C86 C87 C95 155.0(5) . . . . ?
C82 C81 C86 C85 -1.9(7) . . . . ?
C82 C81 C86 C87 176.5(5) . . . . ?
C82 C83 C84 C85 -0.4(8) . . . . ?
C83 C84 C85 C86 2.1(8) . . . . ?
C84 C85 C86 C81 -0.9(7) . . . . ?
C84 C85 C86 C87 -179.5(5) . . . . ?
C85 C86 C87 C88 148.2(5) . . . . ?
C85 C86 C87 C95 -26.5(6) . . . . ?
C86 C81 C82 C83 3.6(7) . . . . ?
C86 C87 C88 C89 -0.8(8) . . . . ?
C86 C87 C95 C96 -57.6(6) . . . . ?
C86 C87 C95 C100 123.4(5) . . . . ?
C87 C88 C89 C90 -150.9(5) . . . . ?
C87 C88 C89 C94 27.3(8) . . . . ?
C87 C95 C96 C97 -178.0(5) . . . . ?
C87 C95 C100 C99 178.7(4) . . . . ?
C88 C87 C95 C96 127.2(5) . . . . ?
C88 C87 C95 C100 -51.8(6) . . . . ?
C88 C89 C90 C91 173.3(5) . . . . ?
C88 C89 C94 N3 10.8(7) . . . . ?
C88 C89 C94 C93 -169.8(5) . . . . ?
C89 C90 C91 C92 -0.5(8) . . . . ?
C90 C89 C94 N3 -171.0(4) . . . . ?
C90 C89 C94 C93 8.4(7) . . . . ?
C90 C91 C92 C93 2.8(8) . . . . ?
C91 C92 C93 C94 0.5(8) . . . . ?
C92 C93 C94 N3 173.1(4) . . . . ?
C92 C93 C94 C89 -6.2(7) . . . . ?
C94 N3 C81 C82 -115.7(5) . . . . ?
C94 N3 C81 C86 63.8(6) . . . . ?
C94 C89 C90 C91 -5.1(7) . . . . ?
C95 C87 C88 C89 173.9(5) . . . . ?
C95 C96 C97 C98 -0.9(8) . . . . ?
C96 C95 C100 C99 -0.3(7) . . . . ?
C96 C97 C98 C99 0.1(8) . . . . ?
C97 C98 C99 C100 0.7(8) . . . . ?
C98 C99 C100 C95 -0.5(8) . . . . ?
C100 C95 C96 C97 1.1(7) . . . . ?
C101 C102 C103 C104 -3.2(8) . . . . ?
C101 C110 C111 C112 124.1(5) . . . . ?
C101 C110 C111 C120 -52.8(7) . . . . ?
C102 C101 C110 C109 11.8(7) . . . . ?
C102 C101 C110 C111 -169.3(5) . . . . ?
C102 C103 C104 C105 -170.7(5) . . . . ?
C102 C103 C104 C109 7.5(7) . . . . ?
C103 C104 C105 C106 177.9(5) . . . . ?
C103 C104 C109 C108 -178.9(5) . . . . ?
C103 C104 C109 C110 -2.3(7) . . . . ?
C104 C105 C106 C107 0.8(9) . . . . ?
C104 C109 C110 C101 -7.0(7) . . . . ?
C104 C109 C110 C111 174.2(4) . . . . ?
C105 C104 C109 C108 -0.7(7) . . . . ?
C105 C104 C109 C110 175.9(5) . . . . ?
C105 C106 C107 C108 -0.2(9) . . . . ?
C106 C107 C108 C109 -0.8(9) . . . . ?
C107 C108 C109 C104 1.2(8) . . . . ?
C107 C108 C109 C110 -175.2(5) . . . . ?
C108 C109 C110 C101 169.4(5) . . . . ?
C108 C109 C110 C111 -9.4(7) . . . . ?
C109 C104 C105 C106 -0.3(8) . . . . ?
C109 C110 C111 C112 -57.1(7) . . . . ?
C109 C110 C111 C120 126.0(5) . . . . ?
C110 C101 C102 C103 -6.9(8) . . . . ?
C110 C111 C112 C113 -3.8(8) . . . . ?
C110 C111 C112 C117 179.4(5) . . . . ?
C110 C111 C120 O6 -3.3(7) . . . . ?
C110 C111 C120 C119 -179.7(5) . . . . ?
C111 C112 C113 C114 -177.4(6) . . . . ?
C111 C112 C117 C116 179.3(5) . . . . ?
C111 C112 C117 C118 1.8(8) . . . . ?
C112 C111 C120 O6 179.6(4) . . . . ?
C112 C111 C120 C119 3.2(7) . . . . ?
C112 C113 C114 C115 -1.0(10) . . . . ?
C112 C117 C118 C119 0.6(8) . . . . ?
C113 C112 C117 C116 2.4(8) . . . . ?
C113 C112 C117 C118 -175.2(5) . . . . ?
C113 C114 C115 C116 0.8(10) . . . . ?
C114 C115 C116 C117 1.0(10) . . . . ?
C115 C116 C117 C112 -2.6(9) . . . . ?
C115 C116 C117 C118 174.9(6) . . . . ?
C116 C117 C118 C119 -176.9(5) . . . . ?
C117 C112 C113 C114 -0.6(8) . . . . ?
C117 C118 C119 C120 -1.1(8) . . . . ?
C118 C119 C120 O6 -177.3(5) . . . . ?
C118 C119 C120 C111 -0.9(8) . . . . ?
C120 C111 C112 C113 173.2(5) . . . . ?
C120 C111 C112 C117 -3.6(7) . . . . ?
C121 N4 C134 C129 -73.2(6) . . . . ?
C121 N4 C134 C133 107.5(5) . . . . ?
C121 C122 C123 C124 -2.2(10) . . . . ?
C121 C126 C127 C128 -36.3(8) . . . . ?
C121 C126 C127 C135 147.9(5) . . . . ?
C122 C121 C126 C125 0.1(8) . . . . ?
C122 C121 C126 C127 177.8(5) . . . . ?
C122 C123 C124 C125 2.2(10) . . . . ?
C123 C124 C125 C126 -1.0(10) . . . . ?
C124 C125 C126 C121 -0.2(9) . . . . ?
C124 C125 C126 C127 -177.9(6) . . . . ?
C125 C126 C127 C128 141.3(6) . . . . ?
C125 C126 C127 C135 -34.5(8) . . . . ?
C126 C121 C122 C123 1.1(9) . . . . ?
C126 C127 C128 C129 -0.4(9) . . . . ?
C126 C127 C135 C136 140.8(5) . . . . ?
C126 C127 C135 C140 -40.0(7) . . . . ?
C127 C128 C129 C130 -145.4(6) . . . . ?
C127 C128 C129 C134 33.5(8) . . . . ?
C127 C135 C136 C137 178.8(6) . . . . ?
C127 C135 C140 C139 -178.7(6) . . . . ?
C128 C127 C135 C136 -35.2(8) . . . . ?
C128 C127 C135 C140 144.0(5) . . . . ?
C128 C129 C130 C131 175.9(6) . . . . ?
C128 C129 C134 N4 8.0(7) . . . . ?
C128 C129 C134 C133 -172.7(5) . . . . ?
C129 C130 C131 C132 -1.5(10) . . . . ?
C130 C129 C134 N4 -173.1(5) . . . . ?
C130 C129 C134 C133 6.2(8) . . . . ?
C130 C131 C132 C133 3.1(10) . . . . ?
C131 C132 C133 C134 0.1(9) . . . . ?
C132 C133 C134 N4 174.4(5) . . . . ?
C132 C133 C134 C129 -4.9(8) . . . . ?
C134 N4 C121 C122 -109.8(6) . . . . ?
C134 N4 C121 C126 69.5(6) . . . . ?
C134 C129 C130 C131 -3.1(9) . . . . ?
C135 C127 C128 C129 175.3(5) . . . . ?
C135 C136 C137 C138 0.5(10) . . . . ?
C136 C135 C140 C139 0.6(9) . . . . ?
C136 C137 C138 C139 -0.8(11) . . . . ?
C137 C138 C139 C140 1.0(11) . . . . ?
C138 C139 C140 C135 -0.9(10) . . . . ?
C140 C135 C136 C137 -0.4(9) . . . . ?
C141 C142 C143 C144 -3.0(7) . . . . ?
C141 C150 C151 C152 131.3(5) . . . . ?
C141 C150 C151 C160 -48.4(7) . . . . ?
C142 C141 C150 C149 7.7(7) . . . . ?
C142 C141 C150 C151 -173.6(4) . . . . ?
C142 C143 C144 C145 -174.9(5) . . . . ?
C142 C143 C144 C149 2.6(7) . . . . ?
C143 C144 C145 C146 176.0(5) . . . . ?
C143 C144 C149 C148 -175.6(4) . . . . ?
C143 C144 C149 C150 2.9(7) . . . . ?
C144 C145 C146 C147 0.0(8) . . . . ?
C144 C149 C150 C141 -7.8(6) . . . . ?
C144 C149 C150 C151 173.6(4) . . . . ?
C145 C144 C149 C148 2.0(7) . . . . ?
C145 C144 C149 C150 -179.5(4) . . . . ?
C145 C146 C147 C148 1.0(8) . . . . ?
C146 C147 C148 C149 -0.4(8) . . . . ?
C147 C148 C149 C144 -1.1(7) . . . . ?
C147 C148 C149 C150 -179.5(5) . . . . ?
C148 C149 C150 C141 170.6(4) . . . . ?
C148 C149 C150 C151 -8.1(7) . . . . ?
C149 C144 C145 C146 -1.5(8) . . . . ?
C149 C150 C151 C152 -50.0(7) . . . . ?
C149 C150 C151 C160 130.2(5) . . . . ?
C150 C141 C142 C143 -2.4(7) . . . . ?
C150 C151 C152 C153 -7.4(8) . . . . ?
C150 C151 C152 C157 173.9(5) . . . . ?
C150 C151 C160 O8 -1.2(7) . . . . ?
C150 C151 C160 C159 -175.1(5) . . . . ?
C151 C152 C153 C154 175.3(5) . . . . ?
C151 C152 C157 C156 -175.4(5) . . . . ?
C151 C152 C157 C158 3.4(8) . . . . ?
C152 C151 C160 O8 179.1(4) . . . . ?
C152 C151 C160 C159 5.1(7) . . . . ?
C152 C153 C154 C155 2.2(10) . . . . ?
C152 C157 C158 C159 1.0(8) . . . . ?
C153 C152 C157 C156 5.9(8) . . . . ?
C153 C152 C157 C158 -175.3(5) . . . . ?
C153 C154 C155 C156 1.9(11) . . . . ?
C154 C155 C156 C157 -2.0(10) . . . . ?
C155 C156 C157 C152 -2.1(9) . . . . ?
C155 C156 C157 C158 179.1(6) . . . . ?
C156 C157 C158 C159 179.8(6) . . . . ?
C157 C152 C153 C154 -6.0(8) . . . . ?
C157 C158 C159 C160 -2.3(8) . . . . ?
C158 C159 C160 O8 -175.1(5) . . . . ?
C158 C159 C160 C151 -0.9(8) . . . . ?
C160 C151 C152 C153 172.3(5) . . . . ?
C160 C151 C152 C157 -6.3(7) . . . . ?
Rh3 P5 O9 C181 78.0(3) . . . . ?
Rh3 P5 O10 C200 -171.3(3) . . . . ?
Rh3 P5 N5 C161 -29.5(4) . . . . ?
Rh3 P5 N5 C174 143.9(3) . . . . ?
Rh3 P6 O11 C221 -167.6(3) . . . . ?
Rh3 P6 O12 C240 76.3(3) . . . . ?
Rh3 P6 N6 C201 -46.4(4) . . . . ?
Rh3 P6 N6 C214 123.5(4) . . . . ?
Rh4 P7 O13 C261 77.1(3) . . . . ?
Rh4 P7 O14 C280 -168.2(3) . . . . ?
Rh4 P7 N7 C241 -23.5(4) . . . . ?
Rh4 P7 N7 C254 151.6(3) . . . . ?
Rh4 P8 O15 C301 -160.7(3) . . . . ?
Rh4 P8 O16 C320 67.7(3) . . . . ?
Rh4 P8 N8 C281 -44.5(4) . . . . ?
Rh4 P8 N8 C294 126.8(4) . . . . ?
P5 O9 C181 C182 -111.9(4) . . . . ?
P5 O9 C181 C190 73.2(6) . . . . ?
P5 O10 C200 C191 71.7(5) . . . . ?
P5 O10 C200 C199 -112.2(4) . . . . ?
P5 N5 C161 C162 60.4(5) . . . . ?
P5 N5 C161 C166 -119.3(4) . . . . ?
P5 N5 C174 C169 116.7(4) . . . . ?
P5 N5 C174 C173 -64.2(6) . . . . ?
P6 O11 C221 C222 -111.7(4) . . . . ?
P6 O11 C221 C230 71.0(6) . . . . ?
P6 O12 C240 C231 76.3(5) . . . . ?
P6 O12 C240 C239 -109.5(4) . . . . ?
P6 N6 C201 C202 63.6(6) . . . . ?
P6 N6 C201 C206 -119.2(4) . . . . ?
P6 N6 C214 C209 119.1(5) . . . . ?
P6 N6 C214 C213 -62.1(6) . . . . ?
P7 O13 C261 C262 -109.9(4) . . . . ?
P7 O13 C261 C270 74.1(5) . . . . ?
P7 O14 C280 C271 71.5(5) . . . . ?
P7 O14 C280 C279 -111.4(4) . . . . ?
P7 N7 C241 C242 58.2(5) . . . . ?
P7 N7 C241 C246 -123.2(4) . . . . ?
P7 N7 C254 C249 112.9(4) . . . . ?
P7 N7 C254 C253 -66.5(5) . . . . ?
P8 O15 C301 C302 -119.1(5) . . . . ?
P8 O15 C301 C310 67.7(6) . . . . ?
P8 O16 C320 C311 79.1(5) . . . . ?
P8 O16 C320 C319 -105.6(5) . . . . ?
P8 N8 C281 C282 66.9(6) . . . . ?
P8 N8 C281 C286 -115.5(5) . . . . ?
P8 N8 C294 C289 117.5(5) . . . . ?
P8 N8 C294 C293 -64.6(7) . . . . ?
O9 P5 O10 C200 -44.5(4) . . . . ?
O9 P5 N5 C161 -154.8(3) . . . . ?
O9 P5 N5 C174 18.6(4) . . . . ?
O9 C181 C182 C183 -176.3(5) . . . . ?
O9 C181 C190 C189 -179.5(5) . . . . ?
O9 C181 C190 C191 0.1(8) . . . . ?
O10 P5 O9 C181 -45.9(4) . . . . ?
O10 P5 N5 C161 102.7(3) . . . . ?
O10 P5 N5 C174 -83.9(4) . . . . ?
O11 P6 O12 C240 -48.7(4) . . . . ?
O11 P6 N6 C201 87.7(4) . . . . ?
O11 P6 N6 C214 -102.4(4) . . . . ?
O11 C221 C222 C223 -176.7(5) . . . . ?
O11 C221 C230 C229 -178.5(4) . . . . ?
O11 C221 C230 C231 1.0(7) . . . . ?
O12 P6 O11 C221 -41.7(4) . . . . ?
O12 P6 N6 C201 -169.7(4) . . . . ?
O12 P6 N6 C214 0.3(4) . . . . ?
O13 P7 O14 C280 -46.5(3) . . . . ?
O13 P7 N7 C241 -146.6(3) . . . . ?
O13 P7 N7 C254 28.5(4) . . . . ?
O13 C261 C262 C263 -176.6(4) . . . . ?
O13 C261 C270 C269 -178.5(4) . . . . ?
O13 C261 C270 C271 -1.1(7) . . . . ?
O14 P7 O13 C261 -43.9(3) . . . . ?
O14 P7 N7 C241 109.9(3) . . . . ?
O14 P7 N7 C254 -75.0(4) . . . . ?
O15 P8 O16 C320 -55.2(4) . . . . ?
O15 P8 N8 C281 88.8(4) . . . . ?
O15 P8 N8 C294 -99.8(4) . . . . ?
O15 C301 C302 C303 -171.7(5) . . . . ?
O15 C301 C310 C309 178.5(4) . . . . ?
O15 C301 C310 C311 0.1(7) . . . . ?
O16 P8 O15 C301 -34.7(4) . . . . ?
O16 P8 N8 C281 -168.7(4) . . . . ?
O16 P8 N8 C294 2.7(4) . . . . ?
N5 P5 O9 C181 -157.3(3) . . . . ?
N5 P5 O10 C200 54.6(4) . . . . ?
N5 C161 C162 C163 -176.5(4) . . . . ?
N5 C161 C166 C165 177.3(4) . . . . ?
N5 C161 C166 C167 -4.0(7) . . . . ?
N6 P6 O11 C221 57.1(4) . . . . ?
N6 P6 O12 C240 -159.8(3) . . . . ?
N6 C201 C202 C203 179.1(5) . . . . ?
N6 C201 C206 C205 -177.8(5) . . . . ?
N6 C201 C206 C207 -2.5(7) . . . . ?
N7 P7 O13 C261 -154.8(3) . . . . ?
N7 P7 O14 C280 54.5(4) . . . . ?
N7 C241 C242 C243 -179.2(4) . . . . ?
N7 C241 C246 C245 -177.7(4) . . . . ?
N7 C241 C246 C247 2.5(7) . . . . ?
N8 P8 O15 C301 63.7(4) . . . . ?
N8 P8 O16 C320 -168.1(4) . . . . ?
N8 C281 C282 C283 178.9(5) . . . . ?
N8 C281 C286 C285 -179.1(5) . . . . ?
N8 C281 C286 C287 -1.5(8) . . . . ?
C161 N5 C174 C169 -69.7(6) . . . . ?
C161 N5 C174 C173 109.4(5) . . . . ?
C161 C162 C163 C164 -1.3(7) . . . . ?
C161 C166 C167 C168 -29.9(8) . . . . ?
C161 C166 C167 C175 154.7(5) . . . . ?
C162 C161 C166 C165 -2.4(7) . . . . ?
C162 C161 C166 C167 176.3(5) . . . . ?
C162 C163 C164 C165 -1.3(8) . . . . ?
C163 C164 C165 C166 2.1(8) . . . . ?
C164 C165 C166 C161 -0.3(7) . . . . ?
C164 C165 C166 C167 -178.9(5) . . . . ?
C165 C166 C167 C168 148.7(5) . . . . ?
C165 C166 C167 C175 -26.8(7) . . . . ?
C166 C161 C162 C163 3.2(7) . . . . ?
C166 C167 C168 C169 -2.9(8) . . . . ?
C166 C167 C175 C176 124.3(5) . . . . ?
C166 C167 C175 C180 -54.5(7) . . . . ?
C167 C168 C169 C170 -147.0(5) . . . . ?
C167 C168 C169 C174 31.2(8) . . . . ?
C167 C175 C176 C177 179.2(5) . . . . ?
C167 C175 C180 C179 -178.0(5) . . . . ?
C168 C167 C175 C176 -51.4(7) . . . . ?
C168 C167 C175 C180 129.8(6) . . . . ?
C168 C169 C170 C171 174.5(5) . . . . ?
C168 C169 C174 N5 8.4(7) . . . . ?
C168 C169 C174 C173 -170.7(5) . . . . ?
C169 C170 C171 C172 -1.2(8) . . . . ?
C170 C169 C174 N5 -173.3(4) . . . . ?
C170 C169 C174 C173 7.6(7) . . . . ?
C170 C171 C172 C173 2.7(8) . . . . ?
C171 C172 C173 C174 1.0(8) . . . . ?
C172 C173 C174 N5 174.6(4) . . . . ?
C172 C173 C174 C169 -6.2(7) . . . . ?
C174 N5 C161 C162 -113.6(5) . . . . ?
C174 N5 C161 C166 66.7(6) . . . . ?
C174 C169 C170 C171 -3.8(8) . . . . ?
C175 C167 C168 C169 172.5(5) . . . . ?
C175 C176 C177 C178 0.1(9) . . . . ?
C176 C175 C180 C179 3.1(9) . . . . ?
C176 C177 C178 C179 0.6(9) . . . . ?
C177 C178 C179 C180 0.6(10) . . . . ?
C178 C179 C180 C175 -2.5(9) . . . . ?
C180 C175 C176 C177 -1.9(8) . . . . ?
C181 C182 C183 C184 -3.9(9) . . . . ?
C181 C190 C191 C192 129.9(6) . . . . ?
C181 C190 C191 C200 -48.1(7) . . . . ?
C182 C181 C190 C189 6.1(8) . . . . ?
C182 C181 C190 C191 -174.4(5) . . . . ?
C182 C183 C184 C185 -174.3(7) . . . . ?
C182 C183 C184 C189 4.4(10) . . . . ?
C183 C184 C185 C186 175.6(9) . . . . ?
C183 C184 C189 C188 -175.0(6) . . . . ?
C183 C184 C189 C190 0.3(9) . . . . ?
C184 C185 C186 C187 2.2(16) . . . . ?
C184 C189 C190 C181 -5.3(8) . . . . ?
C184 C189 C190 C191 175.1(5) . . . . ?
C185 C184 C189 C188 3.8(10) . . . . ?
C185 C184 C189 C190 179.1(6) . . . . ?
C185 C186 C187 C188 -2.0(17) . . . . ?
C186 C187 C188 C189 2.6(14) . . . . ?
C187 C188 C189 C184 -3.6(11) . . . . ?
C187 C188 C189 C190 -178.8(7) . . . . ?
C188 C189 C190 C181 169.9(6) . . . . ?
C188 C189 C190 C191 -9.7(9) . . . . ?
C189 C184 C185 C186 -3.1(13) . . . . ?
C189 C190 C191 C192 -50.6(8) . . . . ?
C189 C190 C191 C200 131.5(6) . . . . ?
C190 C181 C182 C183 -1.6(8) . . . . ?
C190 C191 C192 C193 -7.5(8) . . . . ?
C190 C191 C192 C197 176.5(5) . . . . ?
C190 C191 C200 O10 0.4(7) . . . . ?
C190 C191 C200 C199 -175.4(5) . . . . ?
C191 C192 C193 C194 -179.5(6) . . . . ?
C191 C192 C197 C196 -178.7(5) . . . . ?
C191 C192 C197 C198 0.7(8) . . . . ?
C192 C191 C200 O10 -177.7(4) . . . . ?
C192 C191 C200 C199 6.6(7) . . . . ?
C192 C193 C194 C195 -0.7(11) . . . . ?
C192 C197 C198 C199 3.6(8) . . . . ?
C193 C192 C197 C196 5.1(8) . . . . ?
C193 C192 C197 C198 -175.6(6) . . . . ?
C193 C194 C195 C196 3.1(12) . . . . ?
C194 C195 C196 C197 -1.2(11) . . . . ?
C195 C196 C197 C192 -2.9(10) . . . . ?
C195 C196 C197 C198 177.8(6) . . . . ?
C196 C197 C198 C199 -177.1(5) . . . . ?
C197 C192 C193 C194 -3.4(9) . . . . ?
C197 C198 C199 C200 -2.8(8) . . . . ?
C198 C199 C200 O10 -178.5(4) . . . . ?
C198 C199 C200 C191 -2.6(8) . . . . ?
C200 C191 C192 C193 170.5(5) . . . . ?
C200 C191 C192 C197 -5.5(8) . . . . ?
C201 N6 C214 C209 -70.3(6) . . . . ?
C201 N6 C214 C213 108.5(5) . . . . ?
C201 C202 C203 C204 -2.3(9) . . . . ?
C201 C206 C207 C208 -35.6(8) . . . . ?
C201 C206 C207 C215 148.8(5) . . . . ?
C202 C201 C206 C205 -0.6(7) . . . . ?
C202 C201 C206 C207 174.7(5) . . . . ?
C202 C203 C204 C205 1.4(9) . . . . ?
C203 C204 C205 C206 -0.1(9) . . . . ?
C204 C205 C206 C201 -0.3(8) . . . . ?
C204 C205 C206 C207 -175.9(5) . . . . ?
C205 C206 C207 C208 139.6(6) . . . . ?
C205 C206 C207 C215 -36.0(7) . . . . ?
C206 C201 C202 C203 1.9(8) . . . . ?
C206 C207 C208 C209 0.3(9) . . . . ?
C206 C207 C215 C216 136.2(6) . . . . ?
C206 C207 C215 C220 -43.4(7) . . . . ?
C207 C208 C209 C210 -141.9(6) . . . . ?
C207 C208 C209 C214 34.4(9) . . . . ?
C207 C215 C216 C217 177.8(6) . . . . ?
C207 C215 C220 C219 -178.3(6) . . . . ?
C208 C207 C215 C216 -39.6(8) . . . . ?
C208 C207 C215 C220 140.8(6) . . . . ?
C208 C209 C210 C211 173.9(6) . . . . ?
C208 C209 C214 N6 4.8(8) . . . . ?
C208 C209 C214 C213 -173.9(5) . . . . ?
C209 C210 C211 C212 1.1(10) . . . . ?
C210 C209 C214 N6 -178.7(5) . . . . ?
C210 C209 C214 C213 2.6(8) . . . . ?
C210 C211 C212 C213 0.7(10) . . . . ?
C211 C212 C213 C214 -0.8(9) . . . . ?
C212 C213 C214 N6 -179.6(5) . . . . ?
C212 C213 C214 C209 -0.9(8) . . . . ?
C214 N6 C201 C202 -107.6(5) . . . . ?
C214 N6 C201 C206 69.6(6) . . . . ?
C214 C209 C210 C211 -2.7(9) . . . . ?
C215 C207 C208 C209 175.8(5) . . . . ?
C215 C216 C217 C218 1.9(10) . . . . ?
C216 C215 C220 C219 2.1(9) . . . . ?
C216 C217 C218 C219 -0.6(11) . . . . ?
C217 C218 C219 C220 0.0(10) . . . . ?
C218 C219 C220 C215 -0.8(10) . . . . ?
C220 C215 C216 C217 -2.6(9) . . . . ?
C221 C222 C223 C224 -3.7(8) . . . . ?
C221 C230 C231 C232 129.0(6) . . . . ?
C221 C230 C231 C240 -49.3(7) . . . . ?
C222 C221 C230 C229 4.4(8) . . . . ?
C222 C221 C230 C231 -176.1(5) . . . . ?
C222 C223 C224 C225 -177.4(6) . . . . ?
C222 C223 C224 C229 1.7(9) . . . . ?
C223 C224 C225 C226 176.7(7) . . . . ?
C223 C224 C229 C228 -174.4(6) . . . . ?
C223 C224 C229 C230 3.4(8) . . . . ?
C224 C225 C226 C227 -1.1(11) . . . . ?
C224 C229 C230 C221 -6.3(8) . . . . ?
C224 C229 C230 C231 174.2(5) . . . . ?
C225 C224 C229 C228 4.6(8) . . . . ?
C225 C224 C229 C230 -177.5(5) . . . . ?
C225 C226 C227 C228 2.2(11) . . . . ?
C226 C227 C228 C229 0.2(10) . . . . ?
C227 C228 C229 C224 -3.7(9) . . . . ?
C227 C228 C229 C230 178.6(6) . . . . ?
C228 C229 C230 C221 171.5(5) . . . . ?
C228 C229 C230 C231 -8.0(8) . . . . ?
C229 C224 C225 C226 -2.3(10) . . . . ?
C229 C230 C231 C232 -51.4(8) . . . . ?
C229 C230 C231 C240 130.3(5) . . . . ?
C230 C221 C222 C223 0.6(8) . . . . ?
C230 C231 C232 C233 -9.4(8) . . . . ?
C230 C231 C232 C237 174.3(5) . . . . ?
C230 C231 C240 O12 -0.7(7) . . . . ?
C230 C231 C240 C239 -174.5(5) . . . . ?
C231 C232 C233 C234 -177.4(6) . . . . ?
C231 C232 C237 C236 179.7(5) . . . . ?
C231 C232 C237 C238 2.8(8) . . . . ?
C232 C231 C240 O12 -179.0(4) . . . . ?
C232 C231 C240 C239 7.2(8) . . . . ?
C232 C233 C234 C235 -2.2(10) . . . . ?
C232 C237 C238 C239 2.5(9) . . . . ?
C233 C232 C237 C236 3.2(8) . . . . ?
C233 C232 C237 C238 -173.7(5) . . . . ?
C233 C234 C235 C236 3.2(12) . . . . ?
C234 C235 C236 C237 -0.9(11) . . . . ?
C235 C236 C237 C232 -2.3(10) . . . . ?
C235 C236 C237 C238 174.6(6) . . . . ?
C236 C237 C238 C239 -174.4(6) . . . . ?
C237 C232 C233 C234 -0.9(9) . . . . ?
C237 C238 C239 C240 -3.0(9) . . . . ?
C238 C239 C240 O12 -176.0(5) . . . . ?
C238 C239 C240 C231 -2.0(8) . . . . ?
C240 C231 C232 C233 168.9(5) . . . . ?
C240 C231 C232 C237 -7.5(8) . . . . ?
C241 N7 C254 C249 -71.7(5) . . . . ?
C241 N7 C254 C253 108.9(5) . . . . ?
C241 C242 C243 C244 -3.5(7) . . . . ?
C241 C246 C247 C248 -32.3(7) . . . . ?
C241 C246 C247 C255 153.1(4) . . . . ?
C242 C241 C246 C245 0.9(7) . . . . ?
C242 C241 C246 C247 -179.0(4) . . . . ?
C242 C243 C244 C245 1.6(7) . . . . ?
C243 C244 C245 C246 1.5(8) . . . . ?
C244 C245 C246 C241 -2.8(7) . . . . ?
C244 C245 C246 C247 177.1(5) . . . . ?
C245 C246 C247 C248 147.9(5) . . . . ?
C245 C246 C247 C255 -26.8(6) . . . . ?
C246 C241 C242 C243 2.2(7) . . . . ?
C246 C247 C248 C249 -3.6(8) . . . . ?
C246 C247 C255 C256 127.2(5) . . . . ?
C246 C247 C255 C260 -52.8(6) . . . . ?
C247 C248 C249 C250 -146.6(5) . . . . ?
C247 C248 C249 C254 28.5(8) . . . . ?
C247 C255 C256 C257 178.1(4) . . . . ?
C247 C255 C260 C259 -178.0(4) . . . . ?
C248 C247 C255 C256 -47.8(6) . . . . ?
C248 C247 C255 C260 132.2(5) . . . . ?
C248 C249 C250 C251 170.6(5) . . . . ?
C248 C249 C254 N7 14.0(7) . . . . ?
C248 C249 C254 C253 -166.5(4) . . . . ?
C249 C250 C251 C252 -1.3(8) . . . . ?
C250 C249 C254 N7 -170.9(4) . . . . ?
C250 C249 C254 C253 8.5(7) . . . . ?
C250 C251 C252 C253 3.8(8) . . . . ?
C251 C252 C253 C254 0.0(8) . . . . ?
C252 C253 C254 N7 173.2(4) . . . . ?
C252 C253 C254 C249 -6.2(7) . . . . ?
C254 N7 C241 C242 -117.3(4) . . . . ?
C254 N7 C241 C246 61.3(6) . . . . ?
C254 C249 C250 C251 -4.8(7) . . . . ?
C255 C247 C248 C249 171.0(5) . . . . ?
C255 C256 C257 C258 1.1(7) . . . . ?
C256 C255 C260 C259 2.0(7) . . . . ?
C256 C257 C258 C259 -0.4(7) . . . . ?
C257 C258 C259 C260 0.5(8) . . . . ?
C258 C259 C260 C255 -1.3(8) . . . . ?
C260 C255 C256 C257 -1.9(7) . . . . ?
C261 C262 C263 C264 -3.5(8) . . . . ?
C261 C270 C271 C272 126.6(5) . . . . ?
C261 C270 C271 C280 -50.8(7) . . . . ?
C262 C261 C270 C269 5.7(7) . . . . ?
C262 C261 C270 C271 -176.9(5) . . . . ?
C262 C263 C264 C265 -175.0(5) . . . . ?
C262 C263 C264 C269 2.4(8) . . . . ?
C263 C264 C265 C266 175.7(5) . . . . ?
C263 C264 C269 C268 -175.0(5) . . . . ?
C263 C264 C269 C270 2.7(7) . . . . ?
C264 C265 C266 C267 -0.1(8) . . . . ?
C264 C269 C270 C261 -6.6(7) . . . . ?
C264 C269 C270 C271 176.1(5) . . . . ?
C265 C264 C269 C268 2.4(7) . . . . ?
C265 C264 C269 C270 -179.8(5) . . . . ?
C265 C266 C267 C268 1.2(8) . . . . ?
C266 C267 C268 C269 -0.5(8) . . . . ?
C267 C268 C269 C264 -1.4(8) . . . . ?
C267 C268 C269 C270 -179.1(5) . . . . ?
C268 C269 C270 C261 171.0(5) . . . . ?
C268 C269 C270 C271 -6.3(8) . . . . ?
C269 C264 C265 C266 -1.7(8) . . . . ?
C269 C270 C271 C272 -56.2(7) . . . . ?
C269 C270 C271 C280 126.4(5) . . . . ?
C270 C261 C262 C263 -0.7(8) . . . . ?
C270 C271 C272 C273 -7.6(7) . . . . ?
C270 C271 C272 C277 174.9(4) . . . . ?
C270 C271 C280 O14 3.6(7) . . . . ?
C270 C271 C280 C279 -173.2(5) . . . . ?
C271 C272 C273 C274 -177.5(5) . . . . ?
C271 C272 C277 C276 179.2(5) . . . . ?
C271 C272 C277 C278 1.2(7) . . . . ?
C272 C271 C280 O14 -173.9(4) . . . . ?
C272 C271 C280 C279 9.3(7) . . . . ?
C272 C273 C274 C275 -2.1(8) . . . . ?
C272 C277 C278 C279 3.9(8) . . . . ?
C273 C272 C277 C276 1.6(7) . . . . ?
C273 C272 C277 C278 -176.3(5) . . . . ?
C273 C274 C275 C276 2.6(9) . . . . ?
C274 C275 C276 C277 -0.9(10) . . . . ?
C275 C276 C277 C272 -1.1(9) . . . . ?
C275 C276 C277 C278 176.7(6) . . . . ?
C276 C277 C278 C279 -173.9(5) . . . . ?
C277 C272 C273 C274 0.0(8) . . . . ?
C277 C278 C279 C280 -2.6(8) . . . . ?
C278 C279 C280 O14 178.7(4) . . . . ?
C278 C279 C280 C271 -4.3(8) . . . . ?
C280 C271 C272 C273 169.9(5) . . . . ?
C280 C271 C272 C277 -7.6(7) . . . . ?
C281 N8 C294 C289 -70.5(6) . . . . ?
C281 N8 C294 C293 107.4(6) . . . . ?
C281 C282 C283 C284 0.0(9) . . . . ?
C281 C286 C287 C288 -39.7(8) . . . . ?
C281 C286 C287 C295 143.0(6) . . . . ?
C282 C281 C286 C285 -1.5(8) . . . . ?
C282 C281 C286 C287 176.1(5) . . . . ?
C282 C283 C284 C285 -1.2(9) . . . . ?
C283 C284 C285 C286 1.0(9) . . . . ?
C284 C285 C286 C281 0.3(9) . . . . ?
C284 C285 C286 C287 -177.3(6) . . . . ?
C285 C286 C287 C288 137.8(6) . . . . ?
C285 C286 C287 C295 -39.4(8) . . . . ?
C286 C281 C282 C283 1.4(8) . . . . ?
C286 C287 C288 C289 1.2(9) . . . . ?
C286 C287 C295 C296 147.0(6) . . . . ?
C286 C287 C295 C300 -35.2(8) . . . . ?
C287 C288 C289 C290 -142.5(7) . . . . ?
C287 C288 C289 C294 38.4(9) . . . . ?
C287 C295 C296 C297 175.0(6) . . . . ?
C287 C295 C300 C299 -174.6(6) . . . . ?
C288 C287 C295 C296 -30.2(9) . . . . ?
C288 C287 C295 C300 147.6(6) . . . . ?
C288 C289 C290 C291 178.1(6) . . . . ?
C288 C289 C294 N8 0.5(8) . . . . ?
C288 C289 C294 C293 -177.4(6) . . . . ?
C289 C290 C291 C292 1.1(12) . . . . ?
C290 C289 C294 N8 -178.7(5) . . . . ?
C290 C289 C294 C293 3.4(9) . . . . ?
C290 C291 C292 C293 -0.1(12) . . . . ?
C291 C292 C293 C294 0.7(10) . . . . ?
C292 C293 C294 N8 179.7(6) . . . . ?
C292 C293 C294 C289 -2.5(9) . . . . ?
C294 N8 C281 C282 -105.6(6) . . . . ?
C294 N8 C281 C286 72.0(6) . . . . ?
C294 C289 C290 C291 -2.7(10) . . . . ?
C295 C287 C288 C289 178.3(6) . . . . ?
C295 C296 C297 C298 2.6(11) . . . . ?
C296 C295 C300 C299 3.4(9) . . . . ?
C296 C297 C298 C299 -2.6(11) . . . . ?
C297 C298 C299 C300 3.0(11) . . . . ?
C298 C299 C300 C295 -3.5(11) . . . . ?
C300 C295 C296 C297 -2.9(9) . . . . ?
C301 C302 C303 C304 -4.5(9) . . . . ?
C301 C310 C311 C312 130.4(5) . . . . ?
C301 C310 C311 C320 -48.3(7) . . . . ?
C302 C301 C310 C309 5.8(8) . . . . ?
C302 C301 C310 C311 -172.7(5) . . . . ?
C302 C303 C304 C305 -178.1(6) . . . . ?
C302 C303 C304 C309 0.0(9) . . . . ?
C303 C304 C305 C306 174.9(6) . . . . ?
C303 C304 C309 C308 -173.1(6) . . . . ?
C303 C304 C309 C310 7.3(8) . . . . ?
C304 C305 C306 C307 -1.2(10) . . . . ?
C304 C309 C310 C301 -10.1(7) . . . . ?
C304 C309 C310 C311 168.4(5) . . . . ?
C305 C304 C309 C308 5.0(8) . . . . ?
C305 C304 C309 C310 -174.6(5) . . . . ?
C305 C306 C307 C308 3.6(11) . . . . ?
C306 C307 C308 C309 -1.7(10) . . . . ?
C307 C308 C309 C304 -2.7(9) . . . . ?
C307 C308 C309 C310 176.9(6) . . . . ?
C308 C309 C310 C301 170.4(5) . . . . ?
C308 C309 C310 C311 -11.2(8) . . . . ?
C309 C304 C305 C306 -3.2(9) . . . . ?
C309 C310 C311 C312 -48.1(7) . . . . ?
C309 C310 C311 C320 133.3(5) . . . . ?
C310 C301 C302 C303 1.5(9) . . . . ?
C310 C311 C312 C313 -6.4(8) . . . . ?
C310 C311 C312 C317 175.5(5) . . . . ?
C310 C311 C320 O16 -0.7(7) . . . . ?
C310 C311 C320 C319 -175.6(5) . . . . ?
C311 C312 C313 C314 -178.2(5) . . . . ?
C311 C312 C317 C316 179.1(5) . . . . ?
C311 C312 C317 C318 2.2(8) . . . . ?
C312 C311 C320 O16 -179.5(4) . . . . ?
C312 C311 C320 C319 5.6(7) . . . . ?
C312 C313 C314 C315 -1.1(9) . . . . ?
C312 C317 C318 C319 2.0(8) . . . . ?
C313 C312 C317 C316 1.0(8) . . . . ?
C313 C312 C317 C318 -175.9(5) . . . . ?
C313 C314 C315 C316 1.3(9) . . . . ?
C314 C315 C316 C317 -0.4(9) . . . . ?
C315 C316 C317 C312 -0.8(9) . . . . ?
C315 C316 C317 C318 176.2(6) . . . . ?
C316 C317 C318 C319 -174.9(5) . . . . ?
C317 C312 C313 C314 -0.1(8) . . . . ?
C317 C318 C319 C320 -2.4(8) . . . . ?
C318 C319 C320 O16 -176.6(5) . . . . ?
C318 C319 C320 C311 -1.6(8) . . . . ?
C320 C311 C312 C313 172.3(5) . . . . ?
C320 C311 C312 C317 -5.8(7) . . . . ?
C401 C402 C403 C404 -1.2(15) . . . . ?
C402 C401 C406 C405 -0.6(14) . . . . ?
C402 C403 C404 C405 1.4(13) . . . . ?
C403 C404 C405 C406 -1.2(12) . . . . ?
C404 C405 C406 C401 0.8(12) . . . . ?
C406 C401 C402 C403 0.8(14) . . . . ?
C411 C412 C413 C414 -0.7(10) . . . . ?
C412 C411 C416 C415 0.1(10) . . . . ?
C412 C413 C414 C415 0.7(10) . . . . ?
C413 C414 C415 C416 -0.3(10) . . . . ?
C414 C415 C416 C411 -0.1(10) . . . . ?
C416 C411 C412 C413 0.3(10) . . . . ?
C421 C422 C423 C424 0.1(10) . . . . ?
C422 C421 C426 C425 1.3(10) . . . . ?
C422 C423 C424 C425 0.0(9) . . . . ?
C423 C424 C425 C426 0.5(8) . . . . ?
C424 C425 C426 C421 -1.2(9) . . . . ?
C426 C421 C422 C423 -0.8(11) . . . . ?
C431 C432 C433 C434 0.2(12) . . . . ?
C432 C431 C436 C435 0.7(13) . . . . ?
C432 C433 C434 C435 1.6(12) . . . . ?
C433 C434 C435 C436 -2.3(13) . . . . ?
C434 C435 C436 C431 1.1(13) . . . . ?
C436 C431 C432 C433 -1.4(12) . . . . ?
C441 C442 C443 C444 -0.7(11) . . . . ?
C442 C441 C446 C445 0.8(11) . . . . ?
C442 C443 C444 C445 -0.3(12) . . . . ?
C443 C444 C445 C446 1.5(12) . . . . ?
C444 C445 C446 C441 -1.8(11) . . . . ?
C446 C441 C442 C443 0.5(11) . . . . ?
C451 C452 C453 C454 -2.6(17) . . . . ?
C452 C451 C456 C455 -1.5(17) . . . . ?
C452 C453 C454 C455 4.6(17) . . . . ?
C453 C454 C455 C456 -4.9(17) . . . . ?
C454 C455 C456 C451 3.2(16) . . . . ?
C456 C451 C452 C453 1.2(17) . . . . ?
C461 C462 C463 C464 0.0 . . . . ?
C462 C461 C466 C465 0.0 . . . . ?
C462 C463 C464 C465 0.0 . . . . ?
C463 C464 C465 C466 0.0 . . . . ?
C464 C465 C466 C461 0.0 . . . . ?
C466 C461 C462 C463 0.0 . . . . ?
C471 C472 C473 C474 7.8(18) . . . . ?
C472 C471 C476 C475 -17(2) . . . . ?
C472 C473 C474 C475 -13(2) . . . . ?
C473 C474 C475 C476 4(2) . . . . ?
C474 C475 C476 C471 11(2) . . . . ?
C476 C471 C472 C473 6.9(19) . . . . ?
C481 C482 C483 C484 -2.2(19) . . . . ?
C482 C481 C486 C485 1(2) . . . . ?
C482 C483 C484 C485 3.2(19) . . . . ?
C483 C484 C485 C486 -2(2) . . . . ?
C484 C485 C486 C481 -1(2) . . . . ?
C486 C481 C482 C483 0(2) . . . . ?
C491 C492 C493 C494 2.9(11) . . . . ?
C492 C491 C496 C495 -2.0(15) . . . . ?
C492 C493 C494 C495 -2.7(11) . . . . ?
C493 C494 C495 C496 0.2(13) . . . . ?
C494 C495 C496 C491 2.2(15) . . . . ?
C496 C491 C492 C493 -0.6(12) . . . . ?
C501 C502 C503 C504 -0.4(18) . . . . ?
C502 C501 C506 C505 0.6(17) . . . . ?
C502 C503 C504 C505 2(2) . . . . ?
C503 C504 C505 C506 -3(2) . . . . ?
C504 C505 C506 C501 1.3(19) . . . . ?
C506 C501 C502 C503 -1.0(18) . . . . ?
C511 C512 C513 C514 -1.4(14) . . . . ?
C512 C511 C516 C515 0.6(11) . . . . ?
C512 C513 C514 C515 0.8(16) . . . . ?
C513 C514 C515 C516 0.4(15) . . . . ?
C514 C515 C516 C511 -1.1(12) . . . . ?
C516 C511 C512 C513 0.7(12) . . . . ?
C521 C522 C523 C524 0.0 . . . . ?
C522 C521 C526 C525 0.0 . . . . ?
C522 C523 C524 C525 0.0 . . . . ?
C523 C524 C525 C526 0.0 . . . . ?
C524 C525 C526 C521 0.0 . . . . ?
C526 C521 C522 C523 0.0 . . . . ?
C531 C532 C533 C534 -0.2(13) . . . . ?
C532 C531 C536 C535 -0.4(14) . . . . ?
C532 C533 C534 C535 -0.3(14) . . . . ?
C533 C534 C535 C536 0.4(16) . . . . ?
C534 C535 C536 C531 0.0(16) . . . . ?
C536 C531 C532 C533 0.5(13) . . . . ?
C541 C542 C543 C544 0.4(15) . . . . ?
C542 C541 C546 C545 1.0(16) . . . . ?
C542 C543 C544 C545 1.9(14) . . . . ?
C543 C544 C545 C546 -2.7(15) . . . . ?
C544 C545 C546 C541 1.3(16) . . . . ?
C546 C541 C542 C543 -1.8(16) . . . . ?
C551 C552 C553 C554 -101(4) . . . . ?
C552 C553 C554 C555 137(3) . . . . ?

