# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2015

####################################################################### 
# 
# 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_lxw10
_database_code_depnum_ccdc_archive 'CCDC 1008419'
_audit_update_record             
;
2014-06-15 deposited with the CCDC.
2015-04-29 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;

 ?

;

_chemical_name_common            ?

_chemical_melting_point          ?

_chemical_formula_moiety         ?

_chemical_formula_sum            
'C59 H49 Cl4 F6 N P3 Rh'

_chemical_formula_weight         1223.61



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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'



_symmetry_cell_setting           Monoclinic

_symmetry_space_group_name_H-M   P2(1)/c



loop_

_symmetry_equiv_pos_as_xyz




'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'



_cell_length_a                   12.3535(5)

_cell_length_b                   28.8354(12)

_cell_length_c                   15.2713(6)

_cell_angle_alpha                90.00

_cell_angle_beta                 99.472(2)

_cell_angle_gamma                90.00

_cell_volume                     5365.7(4)

_cell_formula_units_Z            4

_cell_measurement_temperature    173(2)

_cell_measurement_reflns_used    5678

_cell_measurement_theta_min      2.42

_cell_measurement_theta_max      27.56



_exptl_crystal_description       prism

_exptl_crystal_colour            brown

_exptl_crystal_size_max          0.20

_exptl_crystal_size_mid          0.15

_exptl_crystal_size_min          0.10

_exptl_crystal_density_meas      0

_exptl_crystal_density_diffrn    1.515

_exptl_crystal_density_method    'not measured'

_exptl_crystal_F_000             2488

_exptl_absorpt_coefficient_mu    0.669

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.8779

_exptl_absorpt_correction_T_max  0.9361

_exptl_absorpt_process_details   ?



_exptl_special_details           
;

 ?

;



_diffrn_ambient_temperature      173(2)

_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'CCD area detector'

_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean ?

_diffrn_standards_number         ?

_diffrn_standards_interval_count ?

_diffrn_standards_interval_time  ?

_diffrn_standards_decay_%        ?

_diffrn_reflns_number            43515

_diffrn_reflns_av_R_equivalents  0.0619

_diffrn_reflns_av_sigmaI/netI    0.0597

_diffrn_reflns_limit_h_min       -15

_diffrn_reflns_limit_h_max       10

_diffrn_reflns_limit_k_min       -35

_diffrn_reflns_limit_k_max       35

_diffrn_reflns_limit_l_min       -18

_diffrn_reflns_limit_l_max       18

_diffrn_reflns_theta_min         1.41

_diffrn_reflns_theta_max         26.00

_reflns_number_total             10441

_reflns_number_gt                8182

_reflns_threshold_expression     >2sigma(I)



_computing_data_collection       'Bruker SMART'

_computing_cell_refinement       'Bruker SMART'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

_computing_molecular_graphics    'Bruker SHELXTL'

_computing_publication_material  'Bruker SHELXTL'



_refine_special_details          
;

 Refinement of F² against ALL reflections.  The weighted R-factor wR and

 goodness of fit S are based on F², conventional R-factors R are based

 on F, with F set to zero for negative F². The threshold expression of

 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is

 not relevant to the choice of reflections for refinement.  R-factors based

 on F² are statistically about twice as large as those based on F, and R-

 factors based on ALL data will be even larger.

;



_refine_ls_structure_factor_coef Fsqd

_refine_ls_matrix_type           full

_refine_ls_weighting_scheme      calc

_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1150P)²+20.4392P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct

_atom_sites_solution_secondary   difmap

_atom_sites_solution_hydrogens   geom

_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none

_refine_ls_extinction_coef       ?

_refine_ls_number_reflns         10441

_refine_ls_number_parameters     667

_refine_ls_number_restraints     0

_refine_ls_R_factor_all          0.0830

_refine_ls_R_factor_gt           0.0648

_refine_ls_wR_factor_ref         0.2067

_refine_ls_wR_factor_gt          0.1762

_refine_ls_goodness_of_fit_ref   1.063

_refine_ls_restrained_S_all      1.063

_refine_ls_shift/su_max          0.001

_refine_ls_shift/su_mean         0.000



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_symmetry_multiplicity

_atom_site_calc_flag

_atom_site_refinement_flags

_atom_site_disorder_assembly

_atom_site_disorder_group



























































































































Rh1 Rh 0.75112(3) 0.641822(12) 0.29820(2) 0.01419(14) Uani 1 1 d . . .
N1 N 0.7739(3) 0.60535(14) 0.1841(3) 0.0165(8) Uani 1 1 d . . .
P1 P 0.69281(10) 0.67556(4) 0.41906(8) 0.0163(3) Uani 1 1 d . . .
P2 P 0.84866(10) 0.58331(4) 0.38049(8) 0.0169(3) Uani 1 1 d . . .
C1 C 0.6993(4) 0.57310(17) 0.1581(3) 0.0208(10) Uani 1 1 d . . .
H1 H 0.6394 0.5702 0.1896 0.025 Uiso 1 1 calc R . .
C2 C 0.7037(4) 0.54304(19) 0.0870(4) 0.0275(12) Uani 1 1 d . . .
H2 H 0.6457 0.5218 0.0683 0.033 Uiso 1 1 calc R . .
C3 C 0.7940(4) 0.54482(18) 0.0446(3) 0.0248(11) Uani 1 1 d . . .
H3 H 0.8021 0.5235 -0.0014 0.030 Uiso 1 1 calc R . .
C4 C 0.8741(4) 0.57922(18) 0.0715(3) 0.0203(10) Uani 1 1 d . . .
C5 C 0.9726(4) 0.58127(19) 0.0328(3) 0.0259(11) Uani 1 1 d . . .
H5 H 0.9840 0.5597 -0.0119 0.031 Uiso 1 1 calc R . .
C6 C 1.0491(4) 0.61419(19) 0.0604(4) 0.0273(12) Uani 1 1 d . . .
H6 H 1.1160 0.6141 0.0373 0.033 Uiso 1 1 calc R . .
C7 C 1.0319(4) 0.64873(17) 0.1229(4) 0.0209(10) Uani 1 1 d . . .
C8 C 0.9315(4) 0.65065(17) 0.1578(3) 0.0176(10) Uani 1 1 d . . .
C9 C 0.8578(4) 0.61181(17) 0.1373(3) 0.0171(9) Uani 1 1 d . . .
C10 C 1.1148(5) 0.6820(2) 0.1517(4) 0.0366(14) Uani 1 1 d . . .
H10 H 1.1825 0.6804 0.1300 0.044 Uiso 1 1 calc R . .
C11 C 1.0990(5) 0.7164(2) 0.2101(4) 0.0331(13) Uani 1 1 d . . .
H11 H 1.1565 0.7374 0.2314 0.040 Uiso 1 1 calc R . .
C12 C 0.9970(4) 0.72019(18) 0.2379(4) 0.0248(11) Uani 1 1 d . . .
H12 H 0.9861 0.7447 0.2771 0.030 Uiso 1 1 calc R . .
C13 C 0.9111(4) 0.68966(17) 0.2106(3) 0.0193(10) Uani 1 1 d . . .
C14 C 0.8048(4) 0.70324(17) 0.2369(3) 0.0185(10) Uani 1 1 d . . .
H14 H 0.8099 0.7313 0.2758 0.022 Uiso 1 1 calc R . .
C15 C 0.6976(4) 0.69544(16) 0.1881(3) 0.0177(10) Uani 1 1 d . . .
H15 H 0.6993 0.6827 0.1274 0.021 Uiso 1 1 calc R . .
C16 C 0.6037(4) 0.72673(18) 0.1903(3) 0.0195(10) Uani 1 1 d . . .
C17 C 0.6124(4) 0.77129(18) 0.2265(3) 0.0234(11) Uani 1 1 d . . .
H17 H 0.6825 0.7827 0.2526 0.028 Uiso 1 1 calc R . .
C18 C 0.5203(5) 0.7995(2) 0.2252(4) 0.0316(13) Uani 1 1 d . . .
H18 H 0.5281 0.8298 0.2496 0.038 Uiso 1 1 calc R . .
C19 C 0.4184(5) 0.7831(2) 0.1885(4) 0.0346(14) Uani 1 1 d . . .
H19 H 0.3552 0.8018 0.1895 0.041 Uiso 1 1 calc R . .
C20 C 0.4076(5) 0.7395(2) 0.1499(4) 0.0350(14) Uani 1 1 d . . .
H20 H 0.3376 0.7285 0.1229 0.042 Uiso 1 1 calc R . .
C21 C 0.4997(4) 0.71209(19) 0.1510(4) 0.0267(11) Uani 1 1 d . . .
H21 H 0.4917 0.6823 0.1241 0.032 Uiso 1 1 calc R . .
C22 C 0.7084(4) 0.73881(18) 0.4325(3) 0.0220(10) Uani 1 1 d . . .
C23 C 0.8126(5) 0.75831(19) 0.4330(3) 0.0268(11) Uani 1 1 d . . .
H23 H 0.8737 0.7387 0.4304 0.032 Uiso 1 1 calc R . .
C24 C 0.8272(6) 0.8059(2) 0.4372(4) 0.0401(16) Uani 1 1 d . . .
H24 H 0.8977 0.8189 0.4366 0.048 Uiso 1 1 calc R . .
C25 C 0.7389(6) 0.8342(2) 0.4425(4) 0.0414(16) Uani 1 1 d . . .
H25 H 0.7485 0.8669 0.4455 0.050 Uiso 1 1 calc R . .
C26 C 0.6359(6) 0.8153(2) 0.4433(4) 0.0391(15) Uani 1 1 d . . .
H26 H 0.5752 0.8351 0.4469 0.047 Uiso 1 1 calc R . .
C27 C 0.6214(5) 0.76828(19) 0.4390(4) 0.0290(12) Uani 1 1 d . . .
H27 H 0.5507 0.7556 0.4406 0.035 Uiso 1 1 calc R . .
C28 C 0.7418(4) 0.65547(17) 0.5335(3) 0.0185(10) Uani 1 1 d . . .
C29 C 0.8159(4) 0.68059(18) 0.5943(3) 0.0233(11) Uani 1 1 d . . .
H29 H 0.8430 0.7094 0.5771 0.028 Uiso 1 1 calc R . .
C30 C 0.8503(5) 0.6642(2) 0.6791(4) 0.0328(13) Uani 1 1 d . . .
H30 H 0.9000 0.6819 0.7200 0.039 Uiso 1 1 calc R . .
C31 C 0.8119(5) 0.6213(2) 0.7049(4) 0.0360(14) Uani 1 1 d . . .
H31 H 0.8369 0.6096 0.7629 0.043 Uiso 1 1 calc R . .
C32 C 0.7375(5) 0.5961(2) 0.6456(4) 0.0333(13) Uani 1 1 d . . .
H32 H 0.7108 0.5673 0.6634 0.040 Uiso 1 1 calc R . .
C33 C 0.7019(4) 0.61256(18) 0.5611(3) 0.0239(11) Uani 1 1 d . . .
H33 H 0.6505 0.5951 0.5210 0.029 Uiso 1 1 calc R . .
C34 C 0.5454(4) 0.66455(18) 0.4106(3) 0.0199(10) Uani 1 1 d . . .
C35 C 0.4895(4) 0.67299(18) 0.4822(3) 0.0241(11) Uani 1 1 d . . .
H35 H 0.5282 0.6846 0.5367 0.029 Uiso 1 1 calc R . .
C36 C 0.3782(4) 0.66433(19) 0.4730(4) 0.0264(11) Uani 1 1 d . . .
H36 H 0.3408 0.6696 0.5217 0.032 Uiso 1 1 calc R . .
C37 C 0.3204(5) 0.64798(19) 0.3929(4) 0.0307(12) Uani 1 1 d . . .
H37 H 0.2438 0.6422 0.3871 0.037 Uiso 1 1 calc R . .
C38 C 0.3742(5) 0.64030(19) 0.3226(4) 0.0280(12) Uani 1 1 d . . .
H38 H 0.3346 0.6296 0.2677 0.034 Uiso 1 1 calc R . .
C39 C 0.4858(4) 0.64808(18) 0.3312(3) 0.0228(11) Uani 1 1 d . . .
H39 H 0.5225 0.6421 0.2823 0.027 Uiso 1 1 calc R . .
C40 C 0.9494(4) 0.60667(17) 0.4711(3) 0.0196(10) Uani 1 1 d . . .
C41 C 0.9992(4) 0.64827(18) 0.4514(4) 0.0251(11) Uani 1 1 d . . .
H41 H 0.9776 0.6625 0.3952 0.030 Uiso 1 1 calc R . .
C42 C 1.0799(4) 0.6688(2) 0.5135(4) 0.0331(13) Uani 1 1 d . . .
H42 H 1.1124 0.6972 0.5001 0.040 Uiso 1 1 calc R . .
C43 C 1.1125(5) 0.6477(2) 0.5945(4) 0.0307(13) Uani 1 1 d . . .
H43 H 1.1693 0.6612 0.6363 0.037 Uiso 1 1 calc R . .
C44 C 1.0621(5) 0.6067(2) 0.6151(4) 0.0318(13) Uani 1 1 d . . .
H44 H 1.0838 0.5926 0.6715 0.038 Uiso 1 1 calc R . .
C45 C 0.9817(4) 0.58664(18) 0.5543(3) 0.0241(11) Uani 1 1 d . . .
H45 H 0.9477 0.5588 0.5691 0.029 Uiso 1 1 calc R . .
C46 C 0.7672(4) 0.53711(17) 0.4195(3) 0.0209(10) Uani 1 1 d . . .
C47 C 0.6539(4) 0.53802(18) 0.3896(4) 0.0236(11) Uani 1 1 d . . .
H47 H 0.6223 0.5631 0.3540 0.028 Uiso 1 1 calc R . .
C48 C 0.5875(5) 0.5027(2) 0.4115(4) 0.0360(14) Uani 1 1 d . . .
H48 H 0.5104 0.5043 0.3925 0.043 Uiso 1 1 calc R . .
C49 C 0.6318(6) 0.4655(2) 0.4604(4) 0.0407(15) Uani 1 1 d . . .
H49 H 0.5857 0.4412 0.4742 0.049 Uiso 1 1 calc R . .
C50 C 0.7453(6) 0.4633(2) 0.4899(4) 0.0382(14) Uani 1 1 d . . .
H50 H 0.7762 0.4377 0.5242 0.046 Uiso 1 1 calc R . .
C51 C 0.8121(5) 0.49883(18) 0.4686(4) 0.0270(11) Uani 1 1 d . . .
H51 H 0.8892 0.4971 0.4877 0.032 Uiso 1 1 calc R . .
C52 C 0.9376(4) 0.55007(17) 0.3175(3) 0.0213(10) Uani 1 1 d . . .
C53 C 0.8991(5) 0.50939(18) 0.2730(4) 0.0286(12) Uani 1 1 d . . .
H53 H 0.8284 0.4977 0.2779 0.034 Uiso 1 1 calc R . .
C54 C 0.9645(6) 0.4863(2) 0.2219(4) 0.0367(14) Uani 1 1 d . . .
H54 H 0.9379 0.4587 0.1915 0.044 Uiso 1 1 calc R . .
C55 C 1.0679(5) 0.5025(2) 0.2141(4) 0.0392(15) Uani 1 1 d . . .
H55 H 1.1122 0.4858 0.1796 0.047 Uiso 1 1 calc R . .
C56 C 1.1065(5) 0.5429(2) 0.2567(4) 0.0415(16) Uani 1 1 d . . .
H56 H 1.1765 0.5547 0.2504 0.050 Uiso 1 1 calc R . .
C57 C 1.0420(4) 0.5658(2) 0.3086(4) 0.0274(12) Uani 1 1 d . . .
H57 H 1.0696 0.5932 0.3390 0.033 Uiso 1 1 calc R . .
C58 C 0.4521(6) 0.5512(2) 0.8220(5) 0.0443(16) Uani 1 1 d . . .
H58A H 0.4456 0.5537 0.8856 0.053 Uiso 1 1 calc R . .
H58B H 0.4470 0.5179 0.8057 0.053 Uiso 1 1 calc R . .
C59 C 0.2547(8) 0.6718(3) 0.8973(6) 0.068(3) Uani 1 1 d . . .
H59A H 0.2640 0.6575 0.9570 0.081 Uiso 1 1 calc R . .
H59B H 0.3079 0.6569 0.8643 0.081 Uiso 1 1 calc R . .
Cl1 Cl 0.34223(19) 0.58162(8) 0.75769(15) 0.0664(6) Uani 1 1 d . . .
Cl2 Cl 0.57888(19) 0.57248(8) 0.8064(2) 0.0809(8) Uani 1 1 d . . .
Cl3 Cl 0.2854(2) 0.73031(8) 0.90880(18) 0.0816(7) Uani 1 1 d . . .
Cl4 Cl 0.12151(19) 0.66029(8) 0.84206(15) 0.0693(6) Uani 1 1 d . . .
F1 F 0.2820(3) 0.54245(14) 0.1176(3) 0.0467(9) Uani 1 1 d . . .
F2 F 0.4486(3) 0.57186(15) 0.1736(2) 0.0464(10) Uani 1 1 d . . .
F3 F 0.4619(3) 0.59988(14) 0.0380(3) 0.0529(11) Uani 1 1 d . . .
F4 F 0.4294(3) 0.52392(12) 0.0551(2) 0.0375(8) Uani 1 1 d . . .
F5 F 0.2953(3) 0.56978(13) -0.0167(2) 0.0400(8) Uani 1 1 d . . .
F6 F 0.3159(3) 0.61851(13) 0.1001(3) 0.0468(10) Uani 1 1 d . . .
P3 P 0.37221(11) 0.57091(5) 0.07825(9) 0.0240(3) 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


















































































Rh1 N1 2.093(4) . ?
Rh1 C14 2.158(5) . ?
Rh1 C15 2.300(5) . ?
Rh1 P1 2.3042(12) . ?
Rh1 P2 2.3192(13) . ?
N1 C1 1.323(6) . ?
N1 C9 1.366(6) . ?
P1 C34 1.831(5) . ?
P1 C22 1.842(5) . ?
P1 C28 1.846(5) . ?
P2 C46 1.827(5) . ?
P2 C40 1.830(5) . ?
P2 C52 1.844(5) . ?
C1 C2 1.397(7) . ?
C2 C3 1.381(8) . ?
C3 C4 1.413(7) . ?
C4 C9 1.414(7) . ?
C4 C5 1.439(7) . ?
C5 C6 1.357(8) . ?
C6 C7 1.420(7) . ?
C7 C10 1.420(8) . ?
C7 C8 1.429(7) . ?
C8 C13 1.431(7) . ?
C8 C9 1.445(7) . ?
C10 C11 1.369(8) . ?
C11 C12 1.398(8) . ?
C12 C13 1.389(7) . ?
C13 C14 1.488(7) . ?
C14 C15 1.427(7) . ?
C15 C16 1.474(7) . ?
C16 C21 1.391(7) . ?
C16 C17 1.396(7) . ?
C17 C18 1.395(7) . ?
C18 C19 1.375(9) . ?
C19 C20 1.388(9) . ?
C20 C21 1.382(8) . ?
C22 C27 1.387(8) . ?
C22 C23 1.403(8) . ?
C23 C24 1.384(8) . ?
C24 C25 1.375(10) . ?
C25 C26 1.386(10) . ?
C26 C27 1.368(8) . ?
C28 C29 1.395(7) . ?
C28 C33 1.421(7) . ?
C29 C30 1.378(8) . ?
C30 C31 1.404(9) . ?
C31 C32 1.384(9) . ?
C32 C33 1.378(8) . ?
C34 C39 1.395(7) . ?
C34 C35 1.407(7) . ?
C35 C36 1.382(7) . ?
C36 C37 1.393(8) . ?
C37 C38 1.371(8) . ?
C38 C39 1.382(8) . ?
C40 C45 1.393(7) . ?
C40 C41 1.403(7) . ?
C41 C42 1.390(8) . ?
C42 C43 1.376(8) . ?
C43 C44 1.398(8) . ?
C44 C45 1.370(8) . ?
C46 C51 1.397(7) . ?
C46 C47 1.400(7) . ?
C47 C48 1.383(8) . ?
C48 C49 1.368(9) . ?
C49 C50 1.401(10) . ?
C50 C51 1.387(8) . ?
C52 C57 1.394(7) . ?
C52 C53 1.400(8) . ?
C53 C54 1.384(8) . ?
C54 C55 1.383(9) . ?
C55 C56 1.380(10) . ?
C56 C57 1.382(8) . ?
C58 Cl2 1.736(7) . ?
C58 Cl1 1.772(8) . ?
C59 Cl3 1.732(9) . ?
C59 Cl4 1.753(9) . ?
F1 P3 1.581(4) . ?
F2 P3 1.600(3) . ?
F3 P3 1.590(4) . ?
F4 P3 1.595(3) . ?
F5 P3 1.597(4) . ?
F6 P3 1.598(4) . ?



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































































































































N1 Rh1 C14 87.63(17) . . ?
N1 Rh1 C15 77.94(16) . . ?
C14 Rh1 C15 37.16(18) . . ?
N1 Rh1 P1 168.90(11) . . ?
C14 Rh1 P1 99.18(13) . . ?
C15 Rh1 P1 102.22(12) . . ?
N1 Rh1 P2 87.51(11) . . ?
C14 Rh1 P2 131.52(13) . . ?
C15 Rh1 P2 161.16(13) . . ?
P1 Rh1 P2 94.37(5) . . ?
C1 N1 C9 119.3(4) . . ?
C1 N1 Rh1 114.9(3) . . ?
C9 N1 Rh1 125.8(3) . . ?
C34 P1 C22 105.3(2) . . ?
C34 P1 C28 100.3(2) . . ?
C22 P1 C28 101.2(2) . . ?
C34 P1 Rh1 107.99(16) . . ?
C22 P1 Rh1 117.79(16) . . ?
C28 P1 Rh1 121.94(16) . . ?
C46 P2 C40 111.3(2) . . ?
C46 P2 C52 101.4(2) . . ?
C40 P2 C52 101.3(2) . . ?
C46 P2 Rh1 116.25(17) . . ?
C40 P2 Rh1 111.70(16) . . ?
C52 P2 Rh1 113.37(16) . . ?
N1 C1 C2 123.7(5) . . ?
C3 C2 C1 118.7(5) . . ?
C2 C3 C4 118.1(5) . . ?
C3 C4 C9 119.9(4) . . ?
C3 C4 C5 120.5(5) . . ?
C9 C4 C5 119.6(4) . . ?
C6 C5 C4 119.6(5) . . ?
C5 C6 C7 121.7(5) . . ?
C10 C7 C6 120.1(5) . . ?
C10 C7 C8 119.0(5) . . ?
C6 C7 C8 120.8(5) . . ?
C7 C8 C13 119.0(4) . . ?
C7 C8 C9 116.4(4) . . ?
C13 C8 C9 124.6(4) . . ?
N1 C9 C4 119.4(4) . . ?
N1 C9 C8 119.9(4) . . ?
C4 C9 C8 120.7(4) . . ?
C11 C10 C7 121.2(5) . . ?
C10 C11 C12 119.2(5) . . ?
C13 C12 C11 122.8(5) . . ?
C12 C13 C8 118.1(4) . . ?
C12 C13 C14 114.7(4) . . ?
C8 C13 C14 127.2(4) . . ?
C15 C14 C13 127.0(5) . . ?
C15 C14 Rh1 76.9(3) . . ?
C13 C14 Rh1 104.4(3) . . ?
C14 C15 C16 123.9(4) . . ?
C14 C15 Rh1 66.0(3) . . ?
C16 C15 Rh1 121.8(3) . . ?
C21 C16 C17 117.1(5) . . ?
C21 C16 C15 118.6(5) . . ?
C17 C16 C15 124.2(5) . . ?
C16 C17 C18 121.4(5) . . ?
C19 C18 C17 119.8(5) . . ?
C18 C19 C20 120.1(5) . . ?
C21 C20 C19 119.5(5) . . ?
C20 C21 C16 122.1(5) . . ?
C27 C22 C23 118.4(5) . . ?
C27 C22 P1 123.1(4) . . ?
C23 C22 P1 118.5(4) . . ?
C24 C23 C22 120.6(6) . . ?
C25 C24 C23 119.5(6) . . ?
C24 C25 C26 120.3(6) . . ?
C27 C26 C25 120.2(6) . . ?
C26 C27 C22 120.9(6) . . ?
C29 C28 C33 118.5(5) . . ?
C29 C28 P1 123.0(4) . . ?
C33 C28 P1 118.6(4) . . ?
C30 C29 C28 120.9(5) . . ?
C29 C30 C31 120.0(6) . . ?
C32 C31 C30 119.7(5) . . ?
C33 C32 C31 120.6(5) . . ?
C32 C33 C28 120.3(5) . . ?
C39 C34 C35 118.6(5) . . ?
C39 C34 P1 119.8(4) . . ?
C35 C34 P1 121.7(4) . . ?
C36 C35 C34 119.8(5) . . ?
C35 C36 C37 120.6(5) . . ?
C38 C37 C36 119.8(5) . . ?
C37 C38 C39 120.3(5) . . ?
C38 C39 C34 120.9(5) . . ?
C45 C40 C41 118.7(5) . . ?
C45 C40 P2 126.5(4) . . ?
C41 C40 P2 114.8(4) . . ?
C42 C41 C40 120.5(5) . . ?
C43 C42 C41 119.8(6) . . ?
C42 C43 C44 120.0(5) . . ?
C45 C44 C43 120.3(5) . . ?
C44 C45 C40 120.7(5) . . ?
C51 C46 C47 118.5(5) . . ?
C51 C46 P2 124.0(4) . . ?
C47 C46 P2 117.1(4) . . ?
C48 C47 C46 120.6(5) . . ?
C49 C48 C47 120.6(6) . . ?
C48 C49 C50 120.0(6) . . ?
C51 C50 C49 119.6(6) . . ?
C50 C51 C46 120.6(5) . . ?
C57 C52 C53 118.1(5) . . ?
C57 C52 P2 121.5(4) . . ?
C53 C52 P2 120.3(4) . . ?
C54 C53 C52 119.6(5) . . ?
C55 C54 C53 121.3(6) . . ?
C56 C55 C54 119.8(5) . . ?
C55 C56 C57 119.2(6) . . ?
C56 C57 C52 122.0(5) . . ?
Cl2 C58 Cl1 112.0(3) . . ?
Cl3 C59 Cl4 114.0(4) . . ?
F1 P3 F3 179.4(3) . . ?
F1 P3 F4 90.5(2) . . ?
F3 P3 F4 89.9(2) . . ?
F1 P3 F5 89.1(2) . . ?
F3 P3 F5 90.5(2) . . ?
F4 P3 F5 90.02(19) . . ?
F1 P3 F6 90.5(2) . . ?
F3 P3 F6 89.1(2) . . ?
F4 P3 F6 178.9(2) . . ?
F5 P3 F6 89.6(2) . . ?
F1 P3 F2 90.6(2) . . ?
F3 P3 F2 89.9(2) . . ?
F4 P3 F2 90.0(2) . . ?
F5 P3 F2 179.6(3) . . ?
F6 P3 F2 90.4(2) . . ?



_diffrn_measured_fraction_theta_max 0.990

_diffrn_reflns_theta_full        26.00

_diffrn_measured_fraction_theta_full 0.990

_refine_diff_density_max         2.216

_refine_diff_density_min         -0.833

_refine_diff_density_rms         0.177

####################################################################### 
# 
# 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_lxw43
_database_code_depnum_ccdc_archive 'CCDC 1008420'
_audit_update_record             
;
2014-06-15 deposited with the CCDC.
2015-04-29 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;

 ?

;

_chemical_name_common            ?

_chemical_melting_point          ?

_chemical_formula_moiety         'C61 H49 N Rh, 2(C2 H6 O2), F6 P'

_chemical_formula_sum            
'C65 H61 F6 N O2 P3 Rh'

_chemical_formula_weight         1197.97



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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'



_symmetry_cell_setting           Triclinic

_symmetry_space_group_name_H-M   P-1



loop_

_symmetry_equiv_pos_as_xyz


'x, y, z'
'-x, -y, -z'



_cell_length_a                   10.8319(4)

_cell_length_b                   13.2288(4)

_cell_length_c                   22.0889(8)

_cell_angle_alpha                75.156(2)

_cell_angle_beta                 79.856(2)

_cell_angle_gamma                69.201(2)

_cell_volume                     2847.44(17)

_cell_formula_units_Z            2

_cell_measurement_temperature    173(2)

_cell_measurement_reflns_used    8456

_cell_measurement_theta_min      0.00

_cell_measurement_theta_max      0.00



_exptl_crystal_description       block

_exptl_crystal_colour            brown

_exptl_crystal_size_max          0.30

_exptl_crystal_size_mid          0.15

_exptl_crystal_size_min          0.12

_exptl_crystal_density_meas      0

_exptl_crystal_density_diffrn    1.397

_exptl_crystal_density_method    'not measured'

_exptl_crystal_F_000             1236

_exptl_absorpt_coefficient_mu    0.449

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.8770

_exptl_absorpt_correction_T_max  0.9480

_exptl_absorpt_process_details   sadabs



_exptl_special_details           
;

 ?

;



_diffrn_ambient_temperature      173(2)

_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'CCD area detector'

_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean ?

_diffrn_standards_number         ?

_diffrn_standards_interval_count ?

_diffrn_standards_interval_time  ?

_diffrn_standards_decay_%        ?

_diffrn_reflns_number            66048

_diffrn_reflns_av_R_equivalents  0.0443

_diffrn_reflns_av_sigmaI/netI    0.0361

_diffrn_reflns_limit_h_min       -13

_diffrn_reflns_limit_h_max       13

_diffrn_reflns_limit_k_min       -16

_diffrn_reflns_limit_k_max       15

_diffrn_reflns_limit_l_min       -26

_diffrn_reflns_limit_l_max       26

_diffrn_reflns_theta_min         0.96

_diffrn_reflns_theta_max         25.50

_reflns_number_total             10559

_reflns_number_gt                8986

_reflns_threshold_expression     >2sigma(I)



_computing_data_collection       'Bruker SMART'

_computing_cell_refinement       'Bruker SMART'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

_computing_molecular_graphics    'Bruker SHELXTL'

_computing_publication_material  'Bruker SHELXTL'



_refine_special_details          
;

 Refinement of F² against ALL reflections.  The weighted R-factor wR and

 goodness of fit S are based on F², conventional R-factors R are based

 on F, with F set to zero for negative F². The threshold expression of

 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is

 not relevant to the choice of reflections for refinement.  R-factors based

 on F² are statistically about twice as large as those based on F, and R-

 factors based on ALL data will be even larger.

;



_refine_ls_structure_factor_coef Fsqd

_refine_ls_matrix_type           full

_refine_ls_weighting_scheme      calc

_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0816P)²+10.3968P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     Patterson

_atom_sites_solution_secondary   difmap

_atom_sites_solution_hydrogens   geom

_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none

_refine_ls_extinction_coef       ?

_refine_ls_number_reflns         10559

_refine_ls_number_parameters     742

_refine_ls_number_restraints     117

_refine_ls_R_factor_all          0.0711

_refine_ls_R_factor_gt           0.0586

_refine_ls_wR_factor_ref         0.1810

_refine_ls_wR_factor_gt          0.1606

_refine_ls_goodness_of_fit_ref   1.130

_refine_ls_restrained_S_all      1.125

_refine_ls_shift/su_max          0.001

_refine_ls_shift/su_mean         0.000



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_symmetry_multiplicity

_atom_site_calc_flag

_atom_site_refinement_flags

_atom_site_disorder_assembly

_atom_site_disorder_group





















































































































































Rh1 Rh 0.96604(3) 0.66385(3) 0.732106(15) 0.02324(13) Uani 1 1 d . . .
C1 C 1.0771(5) 0.4282(4) 0.7828(2) 0.0348(11) Uani 1 1 d . . .
H1 H 1.1039 0.4344 0.7391 0.042 Uiso 1 1 calc R . .
C2 C 1.1156(5) 0.3233(4) 0.8222(3) 0.0428(12) Uani 1 1 d . . .
H2 H 1.1720 0.2606 0.8062 0.051 Uiso 1 1 calc R . .
C3 C 1.0700(6) 0.3136(5) 0.8840(3) 0.0486(14) Uani 1 1 d . . .
H3 H 1.0912 0.2428 0.9114 0.058 Uiso 1 1 calc R . .
C4 C 0.9917(5) 0.4077(5) 0.9075(2) 0.0413(12) Uani 1 1 d . . .
C5 C 0.9317(6) 0.4001(5) 0.9711(3) 0.0493(14) Uani 1 1 d . . .
H5 H 0.9504 0.3302 0.9993 0.059 Uiso 1 1 calc R . .
C6 C 0.8497(6) 0.4906(6) 0.9910(2) 0.0511(15) Uani 1 1 d . . .
H6 H 0.8038 0.4826 1.0318 0.061 Uiso 1 1 calc R . .
C7 C 0.8295(5) 0.5989(5) 0.9524(2) 0.0414(12) Uani 1 1 d . . .
C8 C 0.7502(6) 0.6936(6) 0.9766(3) 0.0521(15) Uani 1 1 d . . .
H8 H 0.7048 0.6843 1.0175 0.063 Uiso 1 1 calc R . .
C9 C 0.7378(6) 0.7977(6) 0.9425(3) 0.0539(15) Uani 1 1 d . . .
H9 H 0.6822 0.8604 0.9587 0.065 Uiso 1 1 calc R . .
C10 C 0.8085(5) 0.8108(5) 0.8829(2) 0.0445(13) Uani 1 1 d . . .
H10 H 0.8001 0.8836 0.8595 0.053 Uiso 1 1 calc R . .
C11 C 0.8900(5) 0.7221(4) 0.8567(2) 0.0331(10) Uani 1 1 d . . .
C12 C 0.8960(5) 0.6130(4) 0.8902(2) 0.0341(11) Uani 1 1 d . . .
C13 C 0.9665(4) 0.5130(4) 0.8663(2) 0.0305(10) Uani 1 1 d . . .
C14 C 0.9752(5) 0.7502(4) 0.7993(2) 0.0322(10) Uani 1 1 d . . .
H14 H 0.9525 0.8317 0.7825 0.039 Uiso 1 1 calc R . .
C15 C 1.1079(5) 0.6912(4) 0.7827(2) 0.0290(10) Uani 1 1 d . . .
H15 H 1.1451 0.6257 0.8166 0.035 Uiso 1 1 calc R . .
C16 C 1.2085(5) 0.7478(4) 0.7516(2) 0.0352(11) Uani 1 1 d . . .
H16A H 1.1647 0.8186 0.7234 0.042 Uiso 1 1 calc R . .
H16B H 1.2782 0.7005 0.7259 0.042 Uiso 1 1 calc R . .
C17 C 1.2725(5) 0.7704(5) 0.8021(2) 0.0380(11) Uani 1 1 d . . .
H17A H 1.3053 0.7009 0.8335 0.046 Uiso 1 1 calc R . .
H17B H 1.3496 0.7941 0.7817 0.046 Uiso 1 1 calc R . .
C18 C 1.1756(5) 0.8588(5) 0.8355(2) 0.0423(13) Uani 1 1 d . . .
C19 C 1.1294(7) 0.8343(6) 0.8980(3) 0.0583(17) Uani 1 1 d . . .
H19 H 1.1601 0.7602 0.9211 0.070 Uiso 1 1 calc R . .
C20 C 1.0389(9) 0.9152(8) 0.9282(3) 0.077(2) Uani 1 1 d . . .
H20 H 1.0087 0.8958 0.9713 0.093 Uiso 1 1 calc R . .
C21 C 0.9934(8) 1.0230(7) 0.8959(4) 0.072(2) Uani 1 1 d . . .
H21 H 0.9321 1.0788 0.9162 0.086 Uiso 1 1 calc R . .
C22 C 1.0381(8) 1.0483(7) 0.8339(3) 0.0682(19) Uani 1 1 d . . .
H22 H 1.0066 1.1225 0.8111 0.082 Uiso 1 1 calc R . .
C23 C 1.1271(6) 0.9693(6) 0.8038(3) 0.0558(16) Uani 1 1 d . . .
H23 H 1.1564 0.9899 0.7607 0.067 Uiso 1 1 calc R . .
C24 C 0.9552(4) 0.9376(3) 0.6560(2) 0.0260(9) Uani 1 1 d . . .
C25 C 0.8435(5) 0.9913(4) 0.6923(2) 0.0347(11) Uani 1 1 d . . .
H25 H 0.7808 0.9548 0.7118 0.042 Uiso 1 1 calc R . .
C26 C 0.8223(6) 1.0978(4) 0.7004(3) 0.0427(12) Uani 1 1 d . . .
H26 H 0.7441 1.1345 0.7238 0.051 Uiso 1 1 calc R . .
C27 C 0.9169(6) 1.1497(4) 0.6739(3) 0.0456(13) Uani 1 1 d . . .
H27 H 0.9044 1.2214 0.6799 0.055 Uiso 1 1 calc R . .
C28 C 1.0289(5) 1.0964(4) 0.6387(2) 0.0391(12) Uani 1 1 d . . .
H28 H 1.0936 1.1316 0.6210 0.047 Uiso 1 1 calc R . .
C29 C 1.0480(5) 0.9917(4) 0.6292(2) 0.0323(10) Uani 1 1 d . . .
H29 H 1.1246 0.9567 0.6043 0.039 Uiso 1 1 calc R . .
C30 C 1.1268(4) 0.7514(4) 0.5972(2) 0.0266(9) Uani 1 1 d . . .
C31 C 1.2197(5) 0.6513(4) 0.6217(2) 0.0299(10) Uani 1 1 d . . .
H31 H 1.2017 0.6121 0.6629 0.036 Uiso 1 1 calc R . .
C32 C 1.3380(5) 0.6077(4) 0.5869(2) 0.0344(11) Uani 1 1 d . . .
H32 H 1.3998 0.5386 0.6039 0.041 Uiso 1 1 calc R . .
C33 C 1.3658(5) 0.6654(4) 0.5271(2) 0.0387(11) Uani 1 1 d . . .
H33 H 1.4478 0.6368 0.5035 0.046 Uiso 1 1 calc R . .
C34 C 1.2740(5) 0.7649(4) 0.5017(2) 0.0367(11) Uani 1 1 d . . .
H34 H 1.2926 0.8041 0.4606 0.044 Uiso 1 1 calc R . .
C35 C 1.1550(5) 0.8072(4) 0.5364(2) 0.0331(10) Uani 1 1 d . . .
H35 H 1.0919 0.8749 0.5186 0.040 Uiso 1 1 calc R . .
C36 C 0.8521(4) 0.8400(4) 0.58439(19) 0.0251(9) Uani 1 1 d . . .
C37 C 0.7534(4) 0.9435(4) 0.5719(2) 0.0310(10) Uani 1 1 d . . .
H37 H 0.7426 0.9971 0.5957 0.037 Uiso 1 1 calc R . .
C38 C 0.6711(5) 0.9678(4) 0.5247(2) 0.0363(11) Uani 1 1 d . . .
H38 H 0.6060 1.0387 0.5157 0.044 Uiso 1 1 calc R . .
C39 C 0.6834(5) 0.8897(5) 0.4909(2) 0.0383(12) Uani 1 1 d . . .
H39 H 0.6261 0.9066 0.4591 0.046 Uiso 1 1 calc R . .
C40 C 0.7794(5) 0.7863(4) 0.5035(2) 0.0363(11) Uani 1 1 d . . .
H40 H 0.7869 0.7321 0.4808 0.044 Uiso 1 1 calc R . .
C41 C 0.8641(5) 0.7621(4) 0.5490(2) 0.0300(10) Uani 1 1 d . . .
H41 H 0.9312 0.6920 0.5564 0.036 Uiso 1 1 calc R . .
C42 C 0.6411(4) 0.7420(4) 0.6901(2) 0.0269(9) Uani 1 1 d . . .
C43 C 0.6130(5) 0.8285(4) 0.7217(2) 0.0315(10) Uani 1 1 d . . .
H43 H 0.6695 0.8223 0.7517 0.038 Uiso 1 1 calc R . .
C44 C 0.5038(5) 0.9224(4) 0.7095(2) 0.0387(12) Uani 1 1 d . . .
H44 H 0.4855 0.9802 0.7313 0.046 Uiso 1 1 calc R . .
C45 C 0.4213(5) 0.9325(4) 0.6657(2) 0.0406(12) Uani 1 1 d . . .
H45 H 0.3459 0.9968 0.6577 0.049 Uiso 1 1 calc R . .
C46 C 0.4483(5) 0.8491(4) 0.6335(2) 0.0387(12) Uani 1 1 d . . .
H46 H 0.3915 0.8565 0.6033 0.046 Uiso 1 1 calc R . .
C47 C 0.5586(4) 0.7539(4) 0.6450(2) 0.0296(10) Uani 1 1 d . . .
H47 H 0.5774 0.6974 0.6222 0.035 Uiso 1 1 calc R . .
C48 C 0.8182(4) 0.5328(4) 0.6541(2) 0.0277(9) Uani 1 1 d . . .
C49 C 0.9459(5) 0.4982(4) 0.6237(2) 0.0312(10) Uani 1 1 d . . .
H49 H 1.0141 0.5197 0.6330 0.037 Uiso 1 1 calc R . .
C50 C 0.9734(5) 0.4321(4) 0.5796(3) 0.0419(12) Uani 1 1 d . . .
H50 H 1.0603 0.4086 0.5591 0.050 Uiso 1 1 calc R . .
C51 C 0.8748(6) 0.4009(5) 0.5659(3) 0.0459(13) Uani 1 1 d . . .
H51 H 0.8933 0.3579 0.5349 0.055 Uiso 1 1 calc R . .
C52 C 0.7484(6) 0.4318(5) 0.5971(2) 0.0422(12) Uani 1 1 d . . .
H52 H 0.6809 0.4092 0.5879 0.051 Uiso 1 1 calc R . .
C53 C 0.7211(5) 0.4956(4) 0.6417(2) 0.0328(10) Uani 1 1 d . . .
H53 H 0.6357 0.5144 0.6641 0.039 Uiso 1 1 calc R . .
C54 C 0.7242(4) 0.5391(4) 0.7825(2) 0.0322(10) Uani 1 1 d . . .
C55 C 0.7734(5) 0.4229(4) 0.7938(2) 0.0406(12) Uani 1 1 d . . .
H55 H 0.8321 0.3867 0.7627 0.049 Uiso 1 1 calc R . .
C56 C 0.7362(6) 0.3618(5) 0.8501(3) 0.0523(15) Uani 1 1 d . . .
H56 H 0.7711 0.2833 0.8579 0.063 Uiso 1 1 calc R . .
C57 C 0.6496(6) 0.4126(5) 0.8950(3) 0.0508(15) Uani 1 1 d . . .
H57 H 0.6240 0.3696 0.9334 0.061 Uiso 1 1 calc R . .
C58 C 0.5996(6) 0.5271(5) 0.8840(3) 0.0477(14) Uani 1 1 d . . .
H58 H 0.5390 0.5627 0.9149 0.057 Uiso 1 1 calc R . .
C59 C 0.6377(5) 0.5897(5) 0.8284(2) 0.0385(11) Uani 1 1 d . . .
H59 H 0.6042 0.6681 0.8215 0.046 Uiso 1 1 calc R . .
C60 C 0.5634(7) 0.5551(7) 0.2307(3) 0.0626(18) Uani 1 1 d . . .
H60A H 0.5930 0.4759 0.2310 0.094 Uiso 1 1 calc R . .
H60B H 0.4669 0.5819 0.2401 0.094 Uiso 1 1 calc R . .
H60C H 0.6060 0.5674 0.2625 0.094 Uiso 1 1 calc R . .
C61 C 0.6006(6) 0.6160(6) 0.1675(3) 0.0515(14) Uani 1 1 d . . .
C62 C 0.5445(8) 0.7398(6) 0.1533(4) 0.071(2) Uani 1 1 d . . .
H62A H 0.5812 0.7691 0.1115 0.107 Uiso 1 1 calc R . .
H62B H 0.5679 0.7686 0.1849 0.107 Uiso 1 1 calc R . .
H62C H 0.4478 0.7626 0.1544 0.107 Uiso 1 1 calc R . .
C63 C 0.373(4) 0.866(2) 0.984(2) 0.128(16) Uani 0.449(17) 1 d PDU A 1
H63A H 0.4137 0.8493 1.0228 0.191 Uiso 0.449(17) 1 calc PR A 1
H63B H 0.4060 0.8002 0.9650 0.191 Uiso 0.449(17) 1 calc PR A 1
H63C H 0.2762 0.8858 0.9929 0.191 Uiso 0.449(17) 1 calc PR A 1
C64 C 0.4061(19) 0.958(2) 0.9394(12) 0.122(10) Uani 0.449(17) 1 d PDU A 1
C65 C 0.421(4) 0.976(4) 0.8701(15) 0.172(18) Uani 0.449(17) 1 d PDU A 1
H65A H 0.3353 0.9882 0.8553 0.257 Uiso 0.449(17) 1 calc PR A 1
H65B H 0.4870 0.9105 0.8571 0.257 Uiso 0.449(17) 1 calc PR A 1
H65C H 0.4493 1.0407 0.8519 0.257 Uiso 0.449(17) 1 calc PR A 1
O2 O 0.424(2) 1.0271(18) 0.9612(13) 0.182(13) Uani 0.449(17) 1 d PD A 1
C63A C 0.358(3) 0.8797(18) 0.9951(17) 0.109(11) Uani 0.551(17) 1 d PDU A 2
H63D H 0.3931 0.8931 1.0292 0.163 Uiso 0.551(17) 1 calc PR A 2
H63E H 0.4195 0.8130 0.9815 0.163 Uiso 0.551(17) 1 calc PR A 2
H63F H 0.2715 0.8696 1.0101 0.163 Uiso 0.551(17) 1 calc PR A 2
C64A C 0.3423(13) 0.9753(13) 0.9416(8) 0.073(5) Uani 0.551(17) 1 d PDU A 2
C65A C 0.415(2) 0.963(2) 0.8802(9) 0.088(7) Uani 0.551(17) 1 d PDU A 2
H65D H 0.3564 1.0065 0.8470 0.131 Uiso 0.551(17) 1 calc PR A 2
H65E H 0.4468 0.8849 0.8776 0.131 Uiso 0.551(17) 1 calc PR A 2
H65F H 0.4911 0.9894 0.8747 0.131 Uiso 0.551(17) 1 calc PR A 2
O2A O 0.2679(17) 1.0641(10) 0.9497(7) 0.133(7) Uani 0.551(17) 1 d PD A 2
F1 F 0.3493(5) 0.3355(4) 0.5769(2) 0.0781(12) Uani 1 1 d . . .
F2 F 0.2723(4) 0.2146(4) 0.6500(2) 0.0787(12) Uani 1 1 d . . .
F3 F 0.4252(6) 0.1940(4) 0.71285(19) 0.0874(14) Uani 1 1 d . . .
F4 F 0.4867(4) 0.1661(3) 0.6144(2) 0.0710(11) Uani 1 1 d . . .
F5 F 0.5024(3) 0.3171(3) 0.6381(2) 0.0643(10) Uani 1 1 d . . .
F6 F 0.2877(4) 0.3644(4) 0.6755(2) 0.0807(13) Uani 1 1 d . . .
N1 N 1.0044(4) 0.5205(3) 0.80363(17) 0.0261(8) Uani 1 1 d . . .
O1 O 0.6766(5) 0.5654(5) 0.1290(2) 0.0763(14) Uani 1 1 d . . .
P1 P 0.96828(11) 0.80129(9) 0.64462(5) 0.0238(2) Uani 1 1 d . . .
P2 P 0.78821(11) 0.62149(9) 0.71037(5) 0.0237(2) Uani 1 1 d . . .
P3 P 0.38773(14) 0.26518(12) 0.64527(7) 0.0405(3) 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

























































































Rh1 N1 2.098(3) . ?
Rh1 C14 2.127(5) . ?
Rh1 C15 2.224(4) . ?
Rh1 P1 2.2925(11) . ?
Rh1 P2 2.3420(11) . ?
C1 N1 1.342(6) . ?
C1 C2 1.398(7) . ?
C2 C3 1.357(8) . ?
C3 C4 1.401(9) . ?
C4 C13 1.418(7) . ?
C4 C5 1.435(8) . ?
C5 C6 1.338(9) . ?
C6 C7 1.431(8) . ?
C7 C8 1.419(9) . ?
C7 C12 1.433(7) . ?
C8 C9 1.362(9) . ?
C9 C10 1.403(8) . ?
C10 C11 1.387(7) . ?
C11 C12 1.428(7) . ?
C11 C14 1.478(7) . ?
C12 C13 1.453(7) . ?
C13 N1 1.361(6) . ?
C14 C15 1.405(7) . ?
C15 C16 1.508(6) . ?
C16 C17 1.548(7) . ?
C17 C18 1.521(8) . ?
C18 C19 1.381(8) . ?
C18 C23 1.401(9) . ?
C19 C20 1.394(11) . ?
C20 C21 1.375(11) . ?
C21 C22 1.366(10) . ?
C22 C23 1.371(10) . ?
C24 C25 1.397(6) . ?
C24 C29 1.399(6) . ?
C24 P1 1.837(4) . ?
C25 C26 1.398(7) . ?
C26 C27 1.396(8) . ?
C27 C28 1.384(8) . ?
C28 C29 1.392(7) . ?
C30 C31 1.391(6) . ?
C30 C35 1.397(6) . ?
C30 P1 1.843(4) . ?
C31 C32 1.387(7) . ?
C32 C33 1.387(7) . ?
C33 C34 1.387(8) . ?
C34 C35 1.386(7) . ?
C36 C37 1.402(6) . ?
C36 C41 1.404(7) . ?
C36 P1 1.843(4) . ?
C37 C38 1.391(7) . ?
C38 C39 1.381(8) . ?
C39 C40 1.388(7) . ?
C40 C41 1.379(7) . ?
C42 C47 1.395(6) . ?
C42 C43 1.406(7) . ?
C42 P2 1.834(4) . ?
C43 C44 1.383(7) . ?
C44 C45 1.381(8) . ?
C45 C46 1.380(8) . ?
C46 C47 1.398(7) . ?
C48 C49 1.398(6) . ?
C48 C53 1.400(7) . ?
C48 P2 1.834(4) . ?
C49 C50 1.395(7) . ?
C50 C51 1.377(8) . ?
C51 C52 1.390(8) . ?
C52 C53 1.384(7) . ?
C54 C59 1.386(7) . ?
C54 C55 1.406(7) . ?
C54 P2 1.861(5) . ?
C55 C56 1.380(8) . ?
C56 C57 1.372(9) . ?
C57 C58 1.387(9) . ?
C58 C59 1.382(7) . ?
C60 C61 1.487(9) . ?
C61 O1 1.227(8) . ?
C61 C62 1.499(10) . ?
C63 C64 1.471(17) . ?
C64 O2 1.22(2) . ?
C64 C65 1.478(17) . ?
C63A C64A 1.475(17) . ?
C64A O2A 1.202(16) . ?
C64A C65A 1.462(15) . ?
F1 P3 1.596(4) . ?
F2 P3 1.592(4) . ?
F3 P3 1.581(4) . ?
F4 P3 1.592(4) . ?
F5 P3 1.587(4) . ?
F6 P3 1.590(4) . ?



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








































































































































N1 Rh1 C14 87.42(17) . . ?
N1 Rh1 C15 79.50(15) . . ?
C14 Rh1 C15 37.59(17) . . ?
N1 Rh1 P1 167.70(11) . . ?
C14 Rh1 P1 97.29(14) . . ?
C15 Rh1 P1 97.30(12) . . ?
N1 Rh1 P2 88.21(10) . . ?
C14 Rh1 P2 130.15(13) . . ?
C15 Rh1 P2 162.41(13) . . ?
P1 Rh1 P2 97.26(4) . . ?
N1 C1 C2 123.4(5) . . ?
C3 C2 C1 118.2(5) . . ?
C2 C3 C4 120.2(5) . . ?
C3 C4 C13 118.9(5) . . ?
C3 C4 C5 121.9(5) . . ?
C13 C4 C5 119.1(5) . . ?
C6 C5 C4 120.7(5) . . ?
C5 C6 C7 121.6(5) . . ?
C8 C7 C6 120.3(5) . . ?
C8 C7 C12 119.4(5) . . ?
C6 C7 C12 120.3(5) . . ?
C9 C8 C7 121.3(5) . . ?
C8 C9 C10 119.0(6) . . ?
C11 C10 C9 122.9(6) . . ?
C10 C11 C12 118.4(5) . . ?
C10 C11 C14 115.4(5) . . ?
C12 C11 C14 125.8(4) . . ?
C11 C12 C7 118.7(5) . . ?
C11 C12 C13 124.8(4) . . ?
C7 C12 C13 116.5(5) . . ?
N1 C13 C4 119.9(5) . . ?
N1 C13 C12 119.6(4) . . ?
C4 C13 C12 120.4(4) . . ?
C15 C14 C11 127.8(5) . . ?
C15 C14 Rh1 75.0(3) . . ?
C11 C14 Rh1 108.3(3) . . ?
C14 C15 C16 122.4(4) . . ?
C14 C15 Rh1 67.4(3) . . ?
C16 C15 Rh1 124.6(3) . . ?
C15 C16 C17 110.2(4) . . ?
C18 C17 C16 112.3(4) . . ?
C19 C18 C23 116.7(6) . . ?
C19 C18 C17 121.9(6) . . ?
C23 C18 C17 121.4(5) . . ?
C18 C19 C20 121.8(7) . . ?
C21 C20 C19 120.2(7) . . ?
C22 C21 C20 118.6(7) . . ?
C21 C22 C23 121.7(7) . . ?
C22 C23 C18 121.1(6) . . ?
C25 C24 C29 118.5(4) . . ?
C25 C24 P1 117.5(3) . . ?
C29 C24 P1 124.0(3) . . ?
C24 C25 C26 121.1(5) . . ?
C27 C26 C25 119.5(5) . . ?
C28 C27 C26 119.7(5) . . ?
C27 C28 C29 120.7(5) . . ?
C28 C29 C24 120.4(5) . . ?
C31 C30 C35 118.5(4) . . ?
C31 C30 P1 118.8(3) . . ?
C35 C30 P1 122.6(3) . . ?
C32 C31 C30 121.1(4) . . ?
C31 C32 C33 119.7(5) . . ?
C34 C33 C32 120.1(5) . . ?
C35 C34 C33 119.9(5) . . ?
C34 C35 C30 120.7(4) . . ?
C37 C36 C41 118.5(4) . . ?
C37 C36 P1 123.2(4) . . ?
C41 C36 P1 118.3(3) . . ?
C38 C37 C36 120.0(4) . . ?
C39 C38 C37 120.6(4) . . ?
C38 C39 C40 119.9(4) . . ?
C41 C40 C39 120.2(5) . . ?
C40 C41 C36 120.8(4) . . ?
C47 C42 C43 118.7(4) . . ?
C47 C42 P2 124.6(4) . . ?
C43 C42 P2 116.7(3) . . ?
C44 C43 C42 120.7(5) . . ?
C45 C44 C43 120.1(5) . . ?
C46 C45 C44 120.1(5) . . ?
C45 C46 C47 120.6(5) . . ?
C42 C47 C46 119.8(5) . . ?
C49 C48 C53 118.7(4) . . ?
C49 C48 P2 117.9(4) . . ?
C53 C48 P2 123.3(4) . . ?
C50 C49 C48 120.2(5) . . ?
C51 C50 C49 120.1(5) . . ?
C50 C51 C52 120.4(5) . . ?
C53 C52 C51 119.7(5) . . ?
C52 C53 C48 120.7(5) . . ?
C59 C54 C55 118.8(5) . . ?
C59 C54 P2 121.2(4) . . ?
C55 C54 P2 119.7(4) . . ?
C56 C55 C54 119.8(5) . . ?
C57 C56 C55 121.0(6) . . ?
C56 C57 C58 119.7(5) . . ?
C59 C58 C57 120.1(6) . . ?
C58 C59 C54 120.7(5) . . ?
O1 C61 C60 120.3(7) . . ?
O1 C61 C62 121.6(6) . . ?
C60 C61 C62 118.1(6) . . ?
O2 C64 C63 117.8(17) . . ?
O2 C64 C65 116.3(18) . . ?
C63 C64 C65 126(3) . . ?
O2A C64A C65A 120.5(14) . . ?
O2A C64A C63A 118.4(15) . . ?
C65A C64A C63A 121(2) . . ?
C1 N1 C13 118.9(4) . . ?
C1 N1 Rh1 113.5(3) . . ?
C13 N1 Rh1 127.6(3) . . ?
C24 P1 C30 107.0(2) . . ?
C24 P1 C36 101.4(2) . . ?
C30 P1 C36 99.9(2) . . ?
C24 P1 Rh1 118.14(15) . . ?
C30 P1 Rh1 106.74(15) . . ?
C36 P1 Rh1 121.57(14) . . ?
C48 P2 C42 107.9(2) . . ?
C48 P2 C54 101.0(2) . . ?
C42 P2 C54 102.5(2) . . ?
C48 P2 Rh1 119.03(15) . . ?
C42 P2 Rh1 114.39(15) . . ?
C54 P2 Rh1 109.96(14) . . ?
F3 P3 F5 91.9(3) . . ?
F3 P3 F6 90.5(3) . . ?
F5 P3 F6 89.9(2) . . ?
F3 P3 F4 90.0(3) . . ?
F5 P3 F4 90.5(2) . . ?
F6 P3 F4 179.3(3) . . ?
F3 P3 F2 90.1(3) . . ?
F5 P3 F2 178.0(3) . . ?
F6 P3 F2 90.6(2) . . ?
F4 P3 F2 89.0(2) . . ?
F3 P3 F1 179.1(3) . . ?
F5 P3 F1 88.9(2) . . ?
F6 P3 F1 90.0(3) . . ?
F4 P3 F1 89.5(2) . . ?
F2 P3 F1 89.2(3) . . ?



_diffrn_measured_fraction_theta_max 0.998

_diffrn_reflns_theta_full        25.50

_diffrn_measured_fraction_theta_full 0.998

_refine_diff_density_max         1.233

_refine_diff_density_min         -1.349

_refine_diff_density_rms         0.152

####################################################################### 
# 
# 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_lxw50
_database_code_depnum_ccdc_archive 'CCDC 1008421'
_audit_update_record             
;
2014-06-15 deposited with the CCDC.
2015-04-29 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;

 ?

;

_chemical_name_common            ?

_chemical_melting_point          ?

_chemical_formula_moiety         'C58 H44 F3 N P2 Rh, C H2 Cl2, F6 P'

_chemical_formula_sum            
'C59 H46 Cl2 F9 N P3 Rh'

_chemical_formula_weight         1206.69



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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'



_symmetry_cell_setting           Monoclinic

_symmetry_space_group_name_H-M   P2(1)/n



loop_

_symmetry_equiv_pos_as_xyz




'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'



_cell_length_a                   13.6534(3)

_cell_length_b                   25.7008(5)

_cell_length_c                   15.5862(3)

_cell_angle_alpha                90.00

_cell_angle_beta                 93.0920(10)

_cell_angle_gamma                90.00

_cell_volume                     5461.29(19)

_cell_formula_units_Z            4

_cell_measurement_temperature    223(2)

_cell_measurement_reflns_used    7805

_cell_measurement_theta_min      2.71

_cell_measurement_theta_max      27.87



_exptl_crystal_description       prism

_exptl_crystal_colour            yellow

_exptl_crystal_size_max          0.30

_exptl_crystal_size_mid          0.28

_exptl_crystal_size_min          0.26

_exptl_crystal_density_meas      0

_exptl_crystal_density_diffrn    1.468

_exptl_crystal_density_method    'not measured'

_exptl_crystal_F_000             2448

_exptl_absorpt_coefficient_mu    0.569

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.8479

_exptl_absorpt_correction_T_max  0.8662

_exptl_absorpt_process_details   sadabs



_exptl_special_details           
;

 ?

;



_diffrn_ambient_temperature      223(2)

_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'CCD area detector'

_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean ?

_diffrn_standards_number         ?

_diffrn_standards_interval_count ?

_diffrn_standards_interval_time  ?

_diffrn_standards_decay_%        ?

_diffrn_reflns_number            57442

_diffrn_reflns_av_R_equivalents  0.0523

_diffrn_reflns_av_sigmaI/netI    0.0525

_diffrn_reflns_limit_h_min       -17

_diffrn_reflns_limit_h_max       18

_diffrn_reflns_limit_k_min       -33

_diffrn_reflns_limit_k_max       33

_diffrn_reflns_limit_l_min       -20

_diffrn_reflns_limit_l_max       20

_diffrn_reflns_theta_min         1.53

_diffrn_reflns_theta_max         28.00

_reflns_number_total             13106

_reflns_number_gt                9876

_reflns_threshold_expression     >2sigma(I)



_computing_data_collection       'Bruker SMART'

_computing_cell_refinement       'Bruker SMART'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

_computing_molecular_graphics    'Bruker SHELXTL'

_computing_publication_material  'Bruker SHELXTL'



_refine_special_details          
;

 Refinement of F² against ALL reflections.  The weighted R-factor wR and

 goodness of fit S are based on F², conventional R-factors R are based

 on F, with F set to zero for negative F². The threshold expression of

 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is

 not relevant to the choice of reflections for refinement.  R-factors based

 on F² are statistically about twice as large as those based on F, and R-

 factors based on ALL data will be even larger.

;



_refine_ls_structure_factor_coef Fsqd

_refine_ls_matrix_type           full

_refine_ls_weighting_scheme      calc

_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1096P)²+5.6911P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct

_atom_sites_solution_secondary   difmap

_atom_sites_solution_hydrogens   geom

_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none

_refine_ls_extinction_coef       ?

_refine_ls_number_reflns         13106

_refine_ls_number_parameters     741

_refine_ls_number_restraints     259

_refine_ls_R_factor_all          0.0764

_refine_ls_R_factor_gt           0.0533

_refine_ls_wR_factor_ref         0.1829

_refine_ls_wR_factor_gt          0.1514

_refine_ls_goodness_of_fit_ref   1.017

_refine_ls_restrained_S_all      1.055

_refine_ls_shift/su_max          0.002

_refine_ls_shift/su_mean         0.000



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_symmetry_multiplicity

_atom_site_calc_flag

_atom_site_refinement_flags

_atom_site_disorder_assembly

_atom_site_disorder_group
































































































































Rh1 Rh 0.168627(18) 0.847573(10) 0.230033(17) 0.02526(10) Uani 1 1 d . . .
C1 C 0.0459(2) 0.80653(13) 0.2122(2) 0.0285(7) Uani 1 1 d . . .
C2 C 0.0336(3) 0.75348(14) 0.2028(3) 0.0347(8) Uani 1 1 d . . .
H2 H 0.0884 0.7313 0.2061 0.042 Uiso 1 1 calc R . .
C3 C -0.0611(3) 0.73275(15) 0.1881(3) 0.0426(10) Uani 1 1 d . . .
H3 H -0.0683 0.6966 0.1806 0.051 Uiso 1 1 calc R . .
C4 C -0.1429(3) 0.76335(17) 0.1844(3) 0.0447(10) Uani 1 1 d . . .
H4 H -0.2052 0.7483 0.1745 0.054 Uiso 1 1 calc R . .
C5 C -0.1336(3) 0.81778(15) 0.1955(3) 0.0376(9) Uani 1 1 d . . .
C6 C -0.2161(3) 0.85252(18) 0.1941(3) 0.0476(11) Uani 1 1 d . . .
H6 H -0.2796 0.8388 0.1848 0.057 Uiso 1 1 calc R . .
C7 C -0.2051(3) 0.90439(18) 0.2058(3) 0.0486(11) Uani 1 1 d . . .
H7 H -0.2608 0.9259 0.2053 0.058 Uiso 1 1 calc R . .
C8 C -0.1098(3) 0.92687(15) 0.2190(3) 0.0391(9) Uani 1 1 d . . .
C9 C -0.0281(3) 0.89361(14) 0.2202(2) 0.0311(7) Uani 1 1 d . . .
C10 C -0.0390(3) 0.83863(14) 0.2083(2) 0.0297(7) Uani 1 1 d . . .
C11 C -0.0916(3) 0.98013(16) 0.2310(3) 0.0486(11) Uani 1 1 d . . .
H11 H -0.1437 1.0040 0.2297 0.058 Uiso 1 1 calc R . .
C12 C 0.0040(3) 0.99696(16) 0.2447(3) 0.0498(11) Uani 1 1 d . . .
H12 H 0.0171 1.0325 0.2537 0.060 Uiso 1 1 calc R . .
C13 C 0.0807(3) 0.96167(14) 0.2452(3) 0.0392(9) Uani 1 1 d . . .
H13 H 0.1453 0.9740 0.2540 0.047 Uiso 1 1 calc R . .
C15 C 0.2690(3) 0.79023(14) 0.2228(2) 0.0297(7) Uani 1 1 d . . .
H15 H 0.2478 0.7575 0.2021 0.036 Uiso 1 1 calc R . .
C16 C 0.3640(3) 0.79638(14) 0.2460(2) 0.0318(8) Uani 1 1 d . . .
H16 H 0.3829 0.8290 0.2684 0.038 Uiso 1 1 calc R . .
C17 C 0.4420(3) 0.75725(14) 0.2400(2) 0.0305(7) Uani 1 1 d . . .
C18 C 0.5325(3) 0.76604(15) 0.2831(3) 0.0357(8) Uani 1 1 d . . .
H18 H 0.5432 0.7975 0.3130 0.043 Uiso 1 1 calc R . .
C19 C 0.6069(3) 0.72969(15) 0.2830(3) 0.0356(8) Uani 1 1 d . . .
H19 H 0.6673 0.7362 0.3128 0.043 Uiso 1 1 calc R . .
C20 C 0.5915(3) 0.68332(15) 0.2382(3) 0.0339(8) Uani 1 1 d . A .
C21 C 0.6699(3) 0.64306(17) 0.2400(3) 0.0473(11) Uani 1 1 d D . .
C22 C 0.5029(3) 0.67426(15) 0.1940(3) 0.0362(8) Uani 1 1 d . . .
H22 H 0.4931 0.6430 0.1635 0.043 Uiso 1 1 calc R A .
C23 C 0.4284(3) 0.71077(15) 0.1940(3) 0.0368(8) Uani 1 1 d . A .
H23 H 0.3686 0.7044 0.1630 0.044 Uiso 1 1 calc R . .
C24 C 0.0936(3) 0.87948(14) 0.4380(2) 0.0307(7) Uani 1 1 d . . .
C25 C -0.0068(3) 0.87174(17) 0.4241(3) 0.0407(9) Uani 1 1 d . . .
H25 H -0.0301 0.8473 0.3831 0.049 Uiso 1 1 calc R . .
C26 C -0.0723(3) 0.89961(17) 0.4699(3) 0.0459(10) Uani 1 1 d . . .
H26 H -0.1400 0.8939 0.4609 0.055 Uiso 1 1 calc R . .
C27 C -0.0382(4) 0.93606(16) 0.5293(3) 0.0468(11) Uani 1 1 d . . .
H27 H -0.0828 0.9549 0.5611 0.056 Uiso 1 1 calc R . .
C28 C 0.0596(4) 0.94478(16) 0.5419(3) 0.0468(10) Uani 1 1 d . . .
H28 H 0.0823 0.9702 0.5816 0.056 Uiso 1 1 calc R . .
C29 C 0.1265(3) 0.91640(15) 0.4966(3) 0.0389(9) Uani 1 1 d . . .
H29 H 0.1942 0.9224 0.5060 0.047 Uiso 1 1 calc R . .
C30 C 0.2982(3) 0.85778(15) 0.4180(2) 0.0342(8) Uani 1 1 d . . .
C31 C 0.3300(3) 0.90641(16) 0.3906(3) 0.0424(9) Uani 1 1 d . . .
H31 H 0.2874 0.9279 0.3570 0.051 Uiso 1 1 calc R . .
C32 C 0.4241(4) 0.9229(2) 0.4131(4) 0.0581(13) Uani 1 1 d . . .
H32 H 0.4452 0.9557 0.3949 0.070 Uiso 1 1 calc R . .
C33 C 0.4870(3) 0.8918(2) 0.4618(3) 0.0583(13) Uani 1 1 d . . .
H33 H 0.5510 0.9033 0.4770 0.070 Uiso 1 1 calc R . .
C34 C 0.4560(3) 0.8434(2) 0.4885(3) 0.0555(12) Uani 1 1 d . . .
H34 H 0.4991 0.8221 0.5218 0.067 Uiso 1 1 calc R . .
C35 C 0.3617(3) 0.82620(18) 0.4664(3) 0.0429(9) Uani 1 1 d . . .
H35 H 0.3412 0.7932 0.4842 0.052 Uiso 1 1 calc R . .
C36 C 0.1540(3) 0.77389(14) 0.4276(2) 0.0318(7) Uani 1 1 d . . .
C37 C 0.1137(3) 0.77004(16) 0.5073(3) 0.0423(9) Uani 1 1 d . . .
H37 H 0.0990 0.8005 0.5373 0.051 Uiso 1 1 calc R . .
C38 C 0.0949(4) 0.72181(18) 0.5436(3) 0.0518(11) Uani 1 1 d . . .
H38 H 0.0690 0.7196 0.5982 0.062 Uiso 1 1 calc R . .
C39 C 0.1150(4) 0.67736(18) 0.4983(3) 0.0530(12) Uani 1 1 d . . .
H39 H 0.1008 0.6446 0.5215 0.064 Uiso 1 1 calc R . .
C40 C 0.1550(4) 0.68028(17) 0.4202(3) 0.0530(12) Uani 1 1 d . . .
H40 H 0.1691 0.6497 0.3902 0.064 Uiso 1 1 calc R . .
C41 C 0.1746(3) 0.72790(15) 0.3856(3) 0.0416(9) Uani 1 1 d . . .
H41 H 0.2027 0.7295 0.3319 0.050 Uiso 1 1 calc R . .
C42 C 0.2354(3) 0.80652(15) 0.0222(2) 0.0363(8) Uani 1 1 d . . .
C43 C 0.1956(3) 0.75654(17) 0.0270(3) 0.0448(10) Uani 1 1 d . . .
H43 H 0.1435 0.7503 0.0626 0.054 Uiso 1 1 calc R . .
C44 C 0.2321(4) 0.71667(18) -0.0199(3) 0.0564(13) Uani 1 1 d . . .
H44 H 0.2038 0.6834 -0.0177 0.068 Uiso 1 1 calc R . .
C45 C 0.3102(4) 0.7254(2) -0.0703(3) 0.0641(15) Uani 1 1 d . . .
H45 H 0.3342 0.6980 -0.1032 0.077 Uiso 1 1 calc R . .
C46 C 0.3535(3) 0.7733(2) -0.0732(3) 0.0613(14) Uani 1 1 d . . .
H46 H 0.4081 0.7785 -0.1064 0.074 Uiso 1 1 calc R . .
C47 C 0.3161(3) 0.8148(2) -0.0263(3) 0.0471(10) Uani 1 1 d . . .
H47 H 0.3455 0.8479 -0.0278 0.056 Uiso 1 1 calc R . .
C48 C 0.0660(3) 0.87404(15) 0.0194(2) 0.0342(8) Uani 1 1 d . . .
C49 C 0.0183(3) 0.83785(19) -0.0347(3) 0.0492(11) Uani 1 1 d . . .
H49 H 0.0460 0.8047 -0.0413 0.059 Uiso 1 1 calc R . .
C50 C -0.0695(4) 0.8502(2) -0.0789(4) 0.0680(16) Uani 1 1 d . . .
H50 H -0.1006 0.8256 -0.1159 0.082 Uiso 1 1 calc R . .
C51 C -0.1112(4) 0.8987(2) -0.0683(4) 0.0653(14) Uani 1 1 d . . .
H51 H -0.1705 0.9074 -0.0985 0.078 Uiso 1 1 calc R . .
C52 C -0.0660(4) 0.9336(2) -0.0142(4) 0.0585(13) Uani 1 1 d . . .
H52 H -0.0947 0.9665 -0.0072 0.070 Uiso 1 1 calc R . .
C53 C 0.0210(3) 0.92211(16) 0.0308(3) 0.0444(10) Uani 1 1 d . . .
H53 H 0.0500 0.9466 0.0691 0.053 Uiso 1 1 calc R . .
C54 C 0.2569(3) 0.91581(15) 0.0700(3) 0.0392(9) Uani 1 1 d . . .
C55 C 0.2544(4) 0.9472(2) -0.0010(4) 0.0608(13) Uani 1 1 d . . .
H55 H 0.2115 0.9394 -0.0484 0.073 Uiso 1 1 calc R . .
C56 C 0.3149(5) 0.9905(2) -0.0031(5) 0.0814(19) Uani 1 1 d . . .
H56 H 0.3127 1.0116 -0.0524 0.098 Uiso 1 1 calc R . .
C57 C 0.3763(5) 1.0029(2) 0.0636(5) 0.086(2) Uani 1 1 d . . .
H57 H 0.4172 1.0322 0.0609 0.103 Uiso 1 1 calc R . .
C58 C 0.3789(5) 0.9725(2) 0.1358(4) 0.0754(17) Uani 1 1 d . . .
H58 H 0.4215 0.9811 0.1830 0.090 Uiso 1 1 calc R . .
C59 C 0.3191(4) 0.9291(2) 0.1397(3) 0.0552(12) Uani 1 1 d . . .
H59 H 0.3208 0.9086 0.1897 0.066 Uiso 1 1 calc R . .
C60 C 0.8855(5) 0.5459(3) 0.1641(5) 0.103(3) Uani 1 1 d . . .
H60A H 0.8560 0.5794 0.1469 0.123 Uiso 1 1 calc R . .
H60B H 0.9544 0.5466 0.1496 0.123 Uiso 1 1 calc R . .
Cl1 Cl 0.82538(18) 0.49632(10) 0.1068(2) 0.1311(9) Uani 1 1 d . . .
Cl2 Cl 0.87940(16) 0.53825(10) 0.27591(18) 0.1289(9) Uani 1 1 d . . .
F1 F 0.7386(5) 0.6501(3) 0.2993(4) 0.087(3) Uani 0.686(9) 1 d PDU A 1
F2 F 0.7226(4) 0.6477(2) 0.1656(4) 0.0716(19) Uani 0.686(9) 1 d PDU A 1
F3 F 0.6405(4) 0.59653(18) 0.2371(7) 0.090(3) Uani 0.686(9) 1 d PDU A 1
F1A F 0.7574(7) 0.6582(5) 0.2526(13) 0.087(6) Uani 0.314(9) 1 d PDU A 2
F2A F 0.6615(11) 0.6077(6) 0.1826(9) 0.105(7) Uani 0.314(9) 1 d PDU A 2
F3A F 0.6607(11) 0.6119(6) 0.3148(9) 0.091(5) Uani 0.314(9) 1 d PDU A 2
F4 F 0.2735(6) 0.0998(3) 0.4142(5) 0.193(3) Uani 1 1 d . B .
F5 F 0.3316(6) 0.0811(2) 0.2259(3) 0.159(3) Uani 1 1 d . B .
F6 F 0.3908(10) 0.1285(4) 0.3462(8) 0.145(5) Uani 0.547(13) 1 d PDU B 1
F7 F 0.2536(9) 0.1399(5) 0.2780(8) 0.156(6) Uani 0.547(13) 1 d PDU B 1
F8 F 0.2179(10) 0.0573(6) 0.2959(10) 0.171(6) Uani 0.547(13) 1 d PDU B 1
F9 F 0.3646(8) 0.0454(4) 0.3570(7) 0.117(4) Uani 0.547(13) 1 d PDU B 1
F6A F 0.2995(12) 0.1478(3) 0.2984(8) 0.149(7) Uani 0.453(13) 1 d PDU B 2
F7A F 0.1870(6) 0.0905(6) 0.3106(11) 0.130(5) Uani 0.453(13) 1 d PDU B 2
F8A F 0.2936(14) 0.0291(3) 0.3324(10) 0.151(6) Uani 0.453(13) 1 d PDU B 2
F9A F 0.4097(6) 0.0882(8) 0.3366(11) 0.163(7) Uani 0.453(13) 1 d PDU B 2
N1 N 0.0660(2) 0.91064(11) 0.2336(2) 0.0308(6) Uani 1 1 d . . .
P1 P 0.17540(7) 0.83747(4) 0.38010(6) 0.0279(2) Uani 1 1 d . . .
P2 P 0.17913(7) 0.85882(4) 0.08152(6) 0.0294(2) Uani 1 1 d . . .
P3 P 0.30245(9) 0.09059(5) 0.32069(9) 0.0532(3) Uani 1 1 d 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


























































































Rh1 C1 1.987(3) . ?
Rh1 C15 2.019(3) . ?
Rh1 N1 2.145(3) . ?
Rh1 P2 2.3448(10) . ?
Rh1 P1 2.3503(9) . ?
C1 C2 1.381(5) . ?
C1 C10 1.421(5) . ?
C2 C3 1.406(5) . ?
C3 C4 1.364(6) . ?
C4 C5 1.414(6) . ?
C5 C10 1.403(5) . ?
C5 C6 1.436(6) . ?
C6 C7 1.353(6) . ?
C7 C8 1.428(6) . ?
C8 C11 1.402(6) . ?
C8 C9 1.405(5) . ?
C9 N1 1.363(5) . ?
C9 C10 1.432(5) . ?
C11 C12 1.381(6) . ?
C12 C13 1.385(6) . ?
C13 N1 1.338(5) . ?
C15 C16 1.337(5) . ?
C16 C17 1.471(5) . ?
C17 C18 1.393(5) . ?
C17 C23 1.401(5) . ?
C18 C19 1.380(5) . ?
C19 C20 1.391(5) . ?
C20 C22 1.379(5) . ?
C20 C21 1.489(5) . ?
C21 F1A 1.262(10) . ?
C21 F3 1.262(6) . ?
C21 F2A 1.276(9) . ?
C21 F1 1.293(6) . ?
C21 F2 1.402(6) . ?
C21 F3A 1.426(9) . ?
C22 C23 1.384(5) . ?
C24 C29 1.376(5) . ?
C24 C25 1.390(5) . ?
C24 P1 1.827(4) . ?
C25 C26 1.376(6) . ?
C26 C27 1.380(7) . ?
C27 C28 1.358(7) . ?
C28 C29 1.391(6) . ?
C30 C35 1.382(6) . ?
C30 C31 1.398(6) . ?
C30 P1 1.823(4) . ?
C31 C32 1.379(6) . ?
C32 C33 1.372(7) . ?
C33 C34 1.383(7) . ?
C34 C35 1.387(6) . ?
C36 C41 1.387(5) . ?
C36 C37 1.389(5) . ?
C36 P1 1.824(4) . ?
C37 C38 1.393(6) . ?
C38 C39 1.379(6) . ?
C39 C40 1.362(7) . ?
C40 C41 1.370(6) . ?
C42 C47 1.387(6) . ?
C42 C43 1.398(6) . ?
C42 P2 1.824(4) . ?
C43 C44 1.368(6) . ?
C44 C45 1.377(8) . ?
C45 C46 1.368(8) . ?
C46 C47 1.404(7) . ?
C48 C49 1.393(6) . ?
C48 C53 1.395(6) . ?
C48 P2 1.821(4) . ?
C49 C50 1.387(7) . ?
C50 C51 1.384(8) . ?
C51 C52 1.358(8) . ?
C52 C53 1.379(6) . ?
C54 C55 1.367(6) . ?
C54 C59 1.385(6) . ?
C54 P2 1.824(4) . ?
C55 C56 1.387(7) . ?
C56 C57 1.338(9) . ?
C57 C58 1.369(9) . ?
C58 C59 1.385(7) . ?
C60 Cl1 1.737(9) . ?
C60 Cl2 1.761(8) . ?
F4 P3 1.549(6) . ?
F5 P3 1.569(5) . ?
F6 P3 1.585(7) . ?
F7 P3 1.563(9) . ?
F8 P3 1.471(7) . ?
F9 P3 1.529(7) . ?
F6A P3 1.510(8) . ?
F7A P3 1.576(8) . ?
F8A P3 1.597(8) . ?
F9A P3 1.473(8) . ?



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















































































































































































C1 Rh1 C15 100.04(14) . . ?
C1 Rh1 N1 81.82(13) . . ?
C15 Rh1 N1 177.27(13) . . ?
C1 Rh1 P2 91.35(11) . . ?
C15 Rh1 P2 87.56(10) . . ?
N1 Rh1 P2 90.41(9) . . ?
C1 Rh1 P1 93.90(11) . . ?
C15 Rh1 P1 89.10(10) . . ?
N1 Rh1 P1 92.77(9) . . ?
P2 Rh1 P1 174.20(3) . . ?
C2 C1 C10 118.3(3) . . ?
C2 C1 Rh1 129.5(3) . . ?
C10 C1 Rh1 112.2(2) . . ?
C1 C2 C3 119.8(3) . . ?
C4 C3 C2 122.1(4) . . ?
C3 C4 C5 119.8(4) . . ?
C10 C5 C4 118.1(3) . . ?
C10 C5 C6 118.7(4) . . ?
C4 C5 C6 123.2(4) . . ?
C7 C6 C5 122.0(4) . . ?
C6 C7 C8 120.8(4) . . ?
C11 C8 C9 117.2(4) . . ?
C11 C8 C7 124.6(4) . . ?
C9 C8 C7 118.2(4) . . ?
N1 C9 C8 123.2(3) . . ?
N1 C9 C10 115.3(3) . . ?
C8 C9 C10 121.4(3) . . ?
C5 C10 C1 121.8(3) . . ?
C5 C10 C9 119.0(3) . . ?
C1 C10 C9 119.2(3) . . ?
C12 C11 C8 119.1(4) . . ?
C11 C12 C13 120.3(4) . . ?
N1 C13 C12 122.2(4) . . ?
C16 C15 Rh1 123.4(3) . . ?
C15 C16 C17 126.7(3) . . ?
C18 C17 C23 118.3(3) . . ?
C18 C17 C16 119.0(3) . . ?
C23 C17 C16 122.6(3) . . ?
C19 C18 C17 121.6(4) . . ?
C18 C19 C20 119.3(4) . . ?
C22 C20 C19 120.0(3) . . ?
C22 C20 C21 120.2(3) . . ?
C19 C20 C21 119.8(3) . . ?
F1A C21 F3 126.5(8) . . ?
F1A C21 F2A 112.1(9) . . ?
F3 C21 F2A 44.3(8) . . ?
F1A C21 F1 37.0(8) . . ?
F3 C21 F1 112.1(6) . . ?
F2A C21 F1 129.5(7) . . ?
F1A C21 F2 65.1(9) . . ?
F3 C21 F2 103.2(5) . . ?
F2A C21 F2 60.7(9) . . ?
F1 C21 F2 101.2(5) . . ?
F1A C21 F3A 99.9(8) . . ?
F3 C21 F3A 57.0(7) . . ?
F2A C21 F3A 99.5(9) . . ?
F1 C21 F3A 65.6(7) . . ?
F2 C21 F3A 142.8(5) . . ?
F1A C21 C20 117.6(7) . . ?
F3 C21 C20 115.5(4) . . ?
F2A C21 C20 116.4(6) . . ?
F1 C21 C20 114.1(4) . . ?
F2 C21 C20 109.0(4) . . ?
F3A C21 C20 108.1(5) . . ?
C20 C22 C23 120.7(4) . . ?
C22 C23 C17 120.1(4) . . ?
C29 C24 C25 119.1(3) . . ?
C29 C24 P1 123.3(3) . . ?
C25 C24 P1 117.5(3) . . ?
C26 C25 C24 120.5(4) . . ?
C25 C26 C27 119.8(4) . . ?
C28 C27 C26 120.2(4) . . ?
C27 C28 C29 120.5(4) . . ?
C24 C29 C28 119.9(4) . . ?
C35 C30 C31 119.7(4) . . ?
C35 C30 P1 123.2(3) . . ?
C31 C30 P1 116.9(3) . . ?
C32 C31 C30 119.8(4) . . ?
C33 C32 C31 120.6(4) . . ?
C32 C33 C34 119.7(4) . . ?
C33 C34 C35 120.5(5) . . ?
C30 C35 C34 119.7(4) . . ?
C41 C36 C37 117.5(4) . . ?
C41 C36 P1 122.0(3) . . ?
C37 C36 P1 120.4(3) . . ?
C36 C37 C38 121.2(4) . . ?
C39 C38 C37 118.9(4) . . ?
C40 C39 C38 120.8(4) . . ?
C39 C40 C41 119.9(4) . . ?
C40 C41 C36 121.7(4) . . ?
C47 C42 C43 119.5(4) . . ?
C47 C42 P2 122.1(3) . . ?
C43 C42 P2 118.4(3) . . ?
C44 C43 C42 120.4(4) . . ?
C43 C44 C45 119.9(5) . . ?
C46 C45 C44 121.0(4) . . ?
C45 C46 C47 119.8(4) . . ?
C42 C47 C46 119.3(5) . . ?
C49 C48 C53 118.3(4) . . ?
C49 C48 P2 122.3(3) . . ?
C53 C48 P2 119.3(3) . . ?
C50 C49 C48 120.8(4) . . ?
C51 C50 C49 119.8(5) . . ?
C52 C51 C50 119.6(5) . . ?
C51 C52 C53 121.6(5) . . ?
C52 C53 C48 119.9(4) . . ?
C55 C54 C59 118.5(4) . . ?
C55 C54 P2 124.3(4) . . ?
C59 C54 P2 117.1(3) . . ?
C54 C55 C56 120.2(6) . . ?
C57 C56 C55 121.5(6) . . ?
C56 C57 C58 119.3(5) . . ?
C57 C58 C59 120.5(6) . . ?
C54 C59 C58 120.1(5) . . ?
Cl1 C60 Cl2 112.3(4) . . ?
C13 N1 C9 118.0(3) . . ?
C13 N1 Rh1 130.6(3) . . ?
C9 N1 Rh1 111.4(2) . . ?
C30 P1 C36 106.84(18) . . ?
C30 P1 C24 104.27(17) . . ?
C36 P1 C24 102.32(16) . . ?
C30 P1 Rh1 106.09(12) . . ?
C36 P1 Rh1 120.28(12) . . ?
C24 P1 Rh1 115.74(12) . . ?
C48 P2 C42 104.90(18) . . ?
C48 P2 C54 104.88(19) . . ?
C42 P2 C54 106.17(18) . . ?
C48 P2 Rh1 117.15(13) . . ?
C42 P2 Rh1 117.32(13) . . ?
C54 P2 Rh1 105.28(14) . . ?
F8 P3 F9A 141.1(7) . . ?
F8 P3 F6A 119.7(7) . . ?
F9A P3 F6A 95.3(6) . . ?
F8 P3 F9 93.8(6) . . ?
F9A P3 F9 51.7(6) . . ?
F6A P3 F9 146.3(6) . . ?
F8 P3 F4 95.7(7) . . ?
F9A P3 F4 98.6(7) . . ?
F6A P3 F4 93.6(5) . . ?
F9 P3 F4 86.1(6) . . ?
F8 P3 F7 92.8(6) . . ?
F9A P3 F7 120.2(8) . . ?
F6A P3 F7 26.9(7) . . ?
F9 P3 F7 171.3(6) . . ?
F4 P3 F7 98.8(5) . . ?
F8 P3 F5 84.1(7) . . ?
F9A P3 F5 81.5(7) . . ?
F6A P3 F5 86.5(5) . . ?
F9 P3 F5 93.8(5) . . ?
F4 P3 F5 179.8(4) . . ?
F7 P3 F5 81.3(5) . . ?
F8 P3 F7A 37.5(6) . . ?
F9A P3 F7A 175.3(9) . . ?
F6A P3 F7A 87.9(6) . . ?
F9 P3 F7A 124.6(6) . . ?
F4 P3 F7A 77.8(7) . . ?
F7 P3 F7A 63.7(6) . . ?
F5 P3 F7A 102.1(7) . . ?
F8 P3 F6 177.6(6) . . ?
F9A P3 F6 41.1(6) . . ?
F6A P3 F6 58.0(6) . . ?
F9 P3 F6 88.5(5) . . ?
F4 P3 F6 84.2(6) . . ?
F7 P3 F6 84.9(5) . . ?
F5 P3 F6 95.9(6) . . ?
F7A P3 F6 140.3(7) . . ?
F8 P3 F8A 52.5(6) . . ?
F9A P3 F8A 91.2(6) . . ?
F6A P3 F8A 171.3(7) . . ?
F9 P3 F8A 41.3(5) . . ?
F4 P3 F8A 91.1(6) . . ?
F7 P3 F8A 144.8(7) . . ?
F5 P3 F8A 88.7(6) . . ?
F7A P3 F8A 85.9(6) . . ?
F6 P3 F8A 129.9(6) . . ?



_diffrn_measured_fraction_theta_max 0.994

_diffrn_reflns_theta_full        28.00

_diffrn_measured_fraction_theta_full 0.994

_refine_diff_density_max         0.931

_refine_diff_density_min         -0.658

_refine_diff_density_rms         0.150

