# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_ax1897absall_sq
_database_code_depnum_ccdc_archive 'CCDC 2176529'
loop_
_audit_author_name
_audit_author_address
'Hans-Joachim Drexler'
;LIKAT
Germany
;
_audit_update_record             
;
2022-06-02 deposited with the CCDC.	2022-11-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H38 N2 P2 Rh, B F4 [+ solvent]'
_chemical_formula_sum            'C48 H38 B F4 N2 P2 Rh [+ solvent]'
_chemical_formula_weight         894.46

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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

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

_cell_length_a                   11.3861(5)
_cell_length_b                   12.0671(5)
_cell_length_c                   16.2841(7)
_cell_angle_alpha                90
_cell_angle_beta                 93.728(3)
_cell_angle_gamma                90
_cell_volume                     2232.66(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9568
_cell_measurement_theta_min      3.89
_cell_measurement_theta_max      60.69

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_F_000             912
_exptl_crystal_size_min          0.05
_exptl_crystal_size_mid          0.314
_exptl_crystal_size_max          0.449
_exptl_absorpt_coefficient_mu    4.190
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.49
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   microfocus
_diffrn_radiation_monochromator  multilayer
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            42099
_diffrn_reflns_av_unetI/netI     0.0498
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.719
_diffrn_reflns_theta_max         61.320
_diffrn_reflns_theta_full        61.320
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_point_group_measured_fraction_full 0.961
_reflns_number_total             6603
_reflns_number_gt                6048
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.855
_reflns_Friedel_fraction_max     0.936
_reflns_Friedel_fraction_full    0.936

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          SQUEEZE

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0456P)²+1.1151P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2577 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.063(5)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         6603
_refine_ls_number_parameters     517
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_ref         0.0885
_refine_ls_wR_factor_gt          0.0858
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.072
_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_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 0.53097(4) 0.75189(4) 0.83265(3) 0.02952(14) Uani 1 1 d . . . . .
P1 P 0.34993(13) 0.73502(13) 0.77351(9) 0.0281(4) Uani 1 1 d . . . . .
P2 P 0.56677(15) 0.57275(13) 0.81440(10) 0.0279(4) Uani 1 1 d . . . . .
N1 N 0.5118(5) 0.9190(5) 0.8629(4) 0.0370(13) Uani 1 1 d . . . . .
N2 N 0.7070(6) 0.7854(4) 0.8643(4) 0.0378(15) Uani 1 1 d . . . . .
C1 C 0.3469(6) 0.6477(5) 0.6802(4) 0.0291(14) Uani 1 1 d . . . . .
C2 C 0.3502(6) 0.7005(5) 0.6020(4) 0.0342(16) Uani 1 1 d . . . . .
H2 H 0.3444 0.7789 0.5987 0.041 Uiso 1 1 calc R U . . .
C3 C 0.3614(6) 0.6417(6) 0.5332(4) 0.0372(17) Uani 1 1 d . . . . .
H3 H 0.3619 0.6793 0.4820 0.045 Uiso 1 1 calc R U . . .
C4 C 0.3723(6) 0.5252(5) 0.5349(4) 0.0338(16) Uani 1 1 d . . . . .
C5 C 0.3873(6) 0.4639(6) 0.4619(4) 0.0363(16) Uani 1 1 d . . . . .
H5 H 0.3885 0.5005 0.4103 0.044 Uiso 1 1 calc R U . . .
C6 C 0.4002(7) 0.3505(6) 0.4668(5) 0.0442(18) Uani 1 1 d . . . . .
H6 H 0.4128 0.3092 0.4185 0.053 Uiso 1 1 calc R U . . .
C7 C 0.3950(6) 0.2958(6) 0.5418(4) 0.0392(17) Uani 1 1 d . . . . .
H7 H 0.4019 0.2173 0.5438 0.047 Uiso 1 1 calc R U . . .
C8 C 0.3801(6) 0.3532(5) 0.6123(4) 0.0323(15) Uani 1 1 d . . . . .
H8 H 0.3772 0.3143 0.6629 0.039 Uiso 1 1 calc R U . . .
C9 C 0.3690(6) 0.4688(5) 0.6114(4) 0.0297(15) Uani 1 1 d . . . . .
C10 C 0.3564(6) 0.5332(6) 0.6852(4) 0.0277(16) Uani 1 1 d . . . . .
C11 C 0.3492(6) 0.4734(5) 0.7653(4) 0.0289(15) Uani 1 1 d . . . . .
C12 C 0.2455(6) 0.4100(5) 0.7799(4) 0.0299(14) Uani 1 1 d . . . . .
C13 C 0.1497(6) 0.4021(6) 0.7217(4) 0.0357(16) Uani 1 1 d . . . . .
H13 H 0.1533 0.4380 0.6700 0.043 Uiso 1 1 calc R U . . .
C14 C 0.0500(6) 0.3428(5) 0.7385(5) 0.0414(17) Uani 1 1 d . . . . .
H14 H -0.0151 0.3398 0.6989 0.050 Uiso 1 1 calc R U . . .
C15 C 0.0450(7) 0.2868(5) 0.8141(5) 0.046(2) Uani 1 1 d . . . . .
H15 H -0.0221 0.2435 0.8245 0.055 Uiso 1 1 calc R U . . .
C16 C 0.1354(7) 0.2944(5) 0.8719(5) 0.0411(18) Uani 1 1 d . . . . .
H16 H 0.1298 0.2584 0.9234 0.049 Uiso 1 1 calc R U . . .
C17 C 0.2390(6) 0.3555(5) 0.8571(4) 0.0350(16) Uani 1 1 d . . . . .
C18 C 0.3321(6) 0.3654(5) 0.9165(4) 0.0310(15) Uani 1 1 d . . . . .
H18 H 0.3269 0.3303 0.9684 0.037 Uiso 1 1 calc R U . . .
C19 C 0.4314(6) 0.4250(5) 0.9015(4) 0.0337(15) Uani 1 1 d . . . . .
H19 H 0.4943 0.4295 0.9426 0.040 Uiso 1 1 calc R U . . .
C20 C 0.4408(5) 0.4796(5) 0.8255(4) 0.0264(14) Uani 1 1 d . . . . .
C21 C 0.2301(6) 0.6805(5) 0.8311(4) 0.0340(16) Uani 1 1 d . . . . .
C22 C 0.2490(8) 0.6653(6) 0.9157(5) 0.0456(19) Uani 1 1 d . . . . .
H22 H 0.3229 0.6846 0.9423 0.055 Uiso 1 1 calc R U . . .
C23 C 0.1610(9) 0.6223(6) 0.9616(6) 0.055(2) Uani 1 1 d . . . . .
H23 H 0.1750 0.6115 1.0192 0.066 Uiso 1 1 calc R U . . .
C24 C 0.0538(9) 0.5955(6) 0.9235(7) 0.066(3) Uani 1 1 d . . . . .
H24 H -0.0063 0.5661 0.9550 0.079 Uiso 1 1 calc R U . . .
C25 C 0.0321(7) 0.6112(6) 0.8387(6) 0.053(2) Uani 1 1 d . . . . .
H25 H -0.0426 0.5937 0.8126 0.063 Uiso 1 1 calc R U . . .
C26 C 0.1212(6) 0.6528(5) 0.7935(5) 0.0407(17) Uani 1 1 d . . . . .
H26 H 0.1075 0.6625 0.7357 0.049 Uiso 1 1 calc R U . . .
C27 C 0.2981(6) 0.8707(5) 0.7363(4) 0.0337(15) Uani 1 1 d . . . . .
C28 C 0.1838(6) 0.9099(6) 0.7441(4) 0.0363(16) Uani 1 1 d . . . . .
H28 H 0.1264 0.8625 0.7654 0.044 Uiso 1 1 calc R U . . .
C29 C 0.1534(7) 1.0170(6) 0.7212(5) 0.0436(18) Uani 1 1 d . . . . .
H29 H 0.0761 1.0435 0.7281 0.052 Uiso 1 1 calc R U . . .
C30 C 0.2362(7) 1.0864(6) 0.6878(5) 0.048(2) Uani 1 1 d . . . . .
H30 H 0.2153 1.1599 0.6718 0.058 Uiso 1 1 calc R U . . .
C31 C 0.3475(7) 1.0482(6) 0.6785(5) 0.0476(19) Uani 1 1 d . . . . .
H31 H 0.4042 1.0951 0.6558 0.057 Uiso 1 1 calc R U . . .
C32 C 0.3777(7) 0.9408(6) 0.7020(5) 0.0391(19) Uani 1 1 d . . . . .
H32 H 0.4550 0.9148 0.6945 0.047 Uiso 1 1 calc R U . . .
C33 C 0.6724(6) 0.5219(5) 0.8959(4) 0.0316(15) Uani 1 1 d . . . . .
C34 C 0.6722(6) 0.5733(6) 0.9727(4) 0.0381(17) Uani 1 1 d . . . . .
H34 H 0.6257 0.6377 0.9789 0.046 Uiso 1 1 calc R U . . .
C35 C 0.7387(6) 0.5317(6) 1.0398(4) 0.0394(17) Uani 1 1 d . . . . .
H35 H 0.7370 0.5666 1.0920 0.047 Uiso 1 1 calc R U . . .
C36 C 0.8073(7) 0.4396(8) 1.0303(5) 0.050(2) Uani 1 1 d . . . . .
H36 H 0.8526 0.4102 1.0762 0.060 Uiso 1 1 calc R U . . .
C37 C 0.8107(7) 0.3895(7) 0.9545(5) 0.051(2) Uani 1 1 d . . . . .
H37 H 0.8584 0.3258 0.9484 0.061 Uiso 1 1 calc R U . . .
C38 C 0.7444(6) 0.4318(6) 0.8869(4) 0.0394(17) Uani 1 1 d . . . . .
H38 H 0.7489 0.3984 0.8343 0.047 Uiso 1 1 calc R U . . .
C39 C 0.6317(6) 0.5317(5) 0.7191(4) 0.0345(15) Uani 1 1 d . . . . .
C40 C 0.6403(6) 0.4238(6) 0.6949(5) 0.0386(17) Uani 1 1 d . . . . .
H40 H 0.6090 0.3666 0.7271 0.046 Uiso 1 1 calc R U . . .
C41 C 0.6941(7) 0.3975(7) 0.6239(5) 0.052(2) Uani 1 1 d . . . . .
H41 H 0.6988 0.3223 0.6071 0.062 Uiso 1 1 calc R U . . .
C42 C 0.7412(8) 0.4797(8) 0.5773(5) 0.059(2) Uani 1 1 d . . . . .
H42 H 0.7773 0.4613 0.5281 0.071 Uiso 1 1 calc R U . . .
C43 C 0.7356(8) 0.5880(8) 0.6021(5) 0.060(2) Uani 1 1 d . . . . .
H43 H 0.7690 0.6448 0.5705 0.072 Uiso 1 1 calc R U . . .
C44 C 0.6812(7) 0.6151(6) 0.6737(5) 0.0448(18) Uani 1 1 d . . . . .
H44 H 0.6779 0.6900 0.6913 0.054 Uiso 1 1 calc R U . . .
C51 C 0.5205(7) 1.0110(6) 0.8696(5) 0.0399(18) Uani 1 1 d . . . . .
C52 C 0.5299(8) 1.1329(6) 0.8755(6) 0.059(2) Uani 1 1 d . . . . .
H52A H 0.6069 1.1565 0.8585 0.089 Uiso 1 1 calc R U . . .
H52B H 0.5212 1.1560 0.9325 0.089 Uiso 1 1 calc R U . . .
H52C H 0.4677 1.1671 0.8395 0.089 Uiso 1 1 calc R U . . .
C61 C 0.7958(7) 0.8233(6) 0.8718(5) 0.0423(18) Uani 1 1 d . . . . .
C62 C 0.9118(7) 0.8766(7) 0.8847(7) 0.070(3) Uani 1 1 d . . . . .
H62A H 0.9269 0.8945 0.9431 0.105 Uiso 1 1 calc R U . . .
H62B H 0.9129 0.9448 0.8521 0.105 Uiso 1 1 calc R U . . .
H62C H 0.9728 0.8260 0.8674 0.105 Uiso 1 1 calc R U . . .
B1 B 0.7661(6) 0.0986(5) 0.7379(4) 0.054(2) Uiso 1 1 d D . . . .
F1 F 0.6523(7) 0.1116(17) 0.7175(8) 0.081(6) Uiso 0.42(3) 1 d D . P A 1
F2 F 0.7941(10) 0.1125(12) 0.8205(4) 0.049(5) Uiso 0.42(3) 1 d D . P A 1
F3 F 0.7980(19) -0.0125(8) 0.7213(10) 0.105(7) Uiso 0.42(3) 1 d D . P A 1
F4 F 0.8348(13) 0.1637(15) 0.6926(7) 0.081(5) Uiso 0.42(3) 1 d D . P A 1
F1' F 0.6631(7) 0.1516(10) 0.7033(7) 0.077(4) Uiso 0.58(3) 1 d D . P A 2
F2' F 0.7876(10) 0.1436(12) 0.8142(5) 0.109(6) Uiso 0.58(3) 1 d D . P A 2
F3' F 0.7416(14) -0.0101(7) 0.7412(8) 0.107(5) Uiso 0.58(3) 1 d D . P A 2
F4' F 0.8546(7) 0.1215(13) 0.6897(6) 0.083(4) Uiso 0.58(3) 1 d D . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N2 2.077(6) . ?
Rh1 N1 2.090(6) . ?
Rh1 P2 2.2234(17) . ?
Rh1 P1 2.2270(16) . ?
P1 C21 1.828(7) . ?
P1 C27 1.830(7) . ?
P1 C1 1.847(7) . ?
P2 C39 1.831(7) . ?
P2 C33 1.838(7) . ?
P2 C20 1.840(6) . ?
N1 C51 1.119(9) . ?
N2 C61 1.109(9) . ?
C1 C10 1.388(9) . ?
C1 C2 1.427(9) . ?
C2 C3 1.340(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.411(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.420(10) . ?
C4 C9 1.422(10) . ?
C5 C6 1.377(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.393(10) . ?
C6 H6 0.9500 . ?
C7 C8 1.361(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.401(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.447(10) . ?
C10 C11 1.497(9) . ?
C11 C20 1.386(9) . ?
C11 C12 1.440(9) . ?
C12 C13 1.401(10) . ?
C12 C17 1.424(9) . ?
C13 C14 1.384(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.410(11) . ?
C14 H14 0.9500 . ?
C15 C16 1.352(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.424(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.394(10) . ?
C18 C19 1.375(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.412(9) . ?
C19 H19 0.9500 . ?
C21 C26 1.387(10) . ?
C21 C22 1.393(10) . ?
C22 C23 1.389(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.372(14) . ?
C23 H23 0.9500 . ?
C24 C25 1.399(13) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(11) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.384(10) . ?
C27 C28 1.399(10) . ?
C28 C29 1.383(10) . ?
C28 H28 0.9500 . ?
C29 C30 1.398(11) . ?
C29 H29 0.9500 . ?
C30 C31 1.366(11) . ?
C30 H30 0.9500 . ?
C31 C32 1.389(10) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C38 1.374(10) . ?
C33 C34 1.396(10) . ?
C34 C35 1.382(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.373(11) . ?
C35 H35 0.9500 . ?
C36 C37 1.376(12) . ?
C36 H36 0.9500 . ?
C37 C38 1.391(10) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.365(10) . ?
C39 C44 1.389(10) . ?
C40 C41 1.380(11) . ?
C40 H40 0.9500 . ?
C41 C42 1.378(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.372(13) . ?
C42 H42 0.9500 . ?
C43 C44 1.394(11) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C51 C52 1.478(10) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C61 C62 1.471(12) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
B1 F1 1.326(7) . ?
B1 F3' 1.343(7) . ?
B1 F4' 1.346(7) . ?
B1 F4 1.359(8) . ?
B1 F2' 1.364(7) . ?
B1 F2 1.371(8) . ?
B1 F3 1.419(8) . ?
B1 F1' 1.421(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
N2 Rh1 N1 82.4(2) . . ?
N2 Rh1 P2 92.31(14) . . ?
N1 Rh1 P2 172.81(17) . . ?
N2 Rh1 P1 167.55(17) . . ?
N1 Rh1 P1 94.73(16) . . ?
P2 Rh1 P1 91.48(6) . . ?
C21 P1 C27 104.9(3) . . ?
C21 P1 C1 104.0(3) . . ?
C27 P1 C1 104.4(3) . . ?
C21 P1 Rh1 120.8(2) . . ?
C27 P1 Rh1 109.3(2) . . ?
C1 P1 Rh1 112.0(2) . . ?
C39 P2 C33 103.9(3) . . ?
C39 P2 C20 106.2(3) . . ?
C33 P2 C20 101.7(3) . . ?
C39 P2 Rh1 117.6(2) . . ?
C33 P2 Rh1 110.2(2) . . ?
C20 P2 Rh1 115.5(2) . . ?
C51 N1 Rh1 165.9(6) . . ?
C61 N2 Rh1 165.0(6) . . ?
C10 C1 C2 119.3(6) . . ?
C10 C1 P1 121.5(5) . . ?
C2 C1 P1 118.6(5) . . ?
C3 C2 C1 121.3(6) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C2 C3 C4 121.6(6) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C3 C4 C5 121.2(6) . . ?
C3 C4 C9 119.2(6) . . ?
C5 C4 C9 119.6(6) . . ?
C6 C5 C4 119.1(7) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C5 C6 C7 120.8(7) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C8 C7 C6 120.8(6) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C9 120.9(6) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C8 C9 C4 118.6(6) . . ?
C8 C9 C10 122.7(6) . . ?
C4 C9 C10 118.7(5) . . ?
C1 C10 C9 119.9(6) . . ?
C1 C10 C11 121.5(6) . . ?
C9 C10 C11 118.6(5) . . ?
C20 C11 C12 119.9(6) . . ?
C20 C11 C10 120.6(6) . . ?
C12 C11 C10 119.5(6) . . ?
C13 C12 C17 118.9(6) . . ?
C13 C12 C11 122.3(6) . . ?
C17 C12 C11 118.8(6) . . ?
C14 C13 C12 120.9(7) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C13 C14 C15 120.1(7) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 120.2(7) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 121.2(7) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C18 C17 C12 119.5(6) . . ?
C18 C17 C16 121.8(6) . . ?
C12 C17 C16 118.7(7) . . ?
C19 C18 C17 121.2(6) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C20 120.7(6) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C11 C20 C19 119.9(6) . . ?
C11 C20 P2 121.3(5) . . ?
C19 C20 P2 118.4(5) . . ?
C26 C21 C22 118.8(7) . . ?
C26 C21 P1 122.3(6) . . ?
C22 C21 P1 118.8(6) . . ?
C23 C22 C21 120.7(8) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C24 C23 C22 119.8(9) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C23 C24 C25 120.6(8) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C26 C25 C24 119.1(8) . . ?
C26 C25 H25 120.5 . . ?
C24 C25 H25 120.5 . . ?
C25 C26 C21 121.0(8) . . ?
C25 C26 H26 119.5 . . ?
C21 C26 H26 119.5 . . ?
C32 C27 C28 117.9(6) . . ?
C32 C27 P1 118.4(5) . . ?
C28 C27 P1 123.7(5) . . ?
C29 C28 C27 120.7(7) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C28 C29 C30 120.1(7) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C31 C30 C29 119.7(7) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 119.9(7) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C27 C32 C31 121.7(7) . . ?
C27 C32 H32 119.1 . . ?
C31 C32 H32 119.1 . . ?
C38 C33 C34 118.9(6) . . ?
C38 C33 P2 123.6(5) . . ?
C34 C33 P2 117.3(5) . . ?
C35 C34 C33 120.9(7) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C36 C35 C34 119.4(7) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C35 C36 C37 120.4(7) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C36 C37 C38 120.2(7) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C33 C38 C37 120.2(7) . . ?
C33 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C40 C39 C44 119.9(7) . . ?
C40 C39 P2 122.9(5) . . ?
C44 C39 P2 117.1(5) . . ?
C39 C40 C41 120.3(7) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C42 C41 C40 120.4(7) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C43 C42 C41 119.7(8) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C42 C43 C44 120.1(8) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C39 C44 C43 119.5(7) . . ?
C39 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
N1 C51 C52 178.0(9) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N2 C61 C62 177.5(9) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
F3' B1 F4' 112.9(6) . . ?
F1 B1 F4 112.5(7) . . ?
F3' B1 F2' 112.2(6) . . ?
F4' B1 F2' 110.7(6) . . ?
F1 B1 F2 113.1(6) . . ?
F4 B1 F2 110.9(6) . . ?
F1 B1 F3 108.7(6) . . ?
F4 B1 F3 106.2(6) . . ?
F2 B1 F3 104.8(6) . . ?
F3' B1 F1' 106.7(6) . . ?
F4' B1 F1' 107.8(6) . . ?
F2' B1 F1' 106.0(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C21 P1 C1 C10 -56.5(6) . . . . ?
C27 P1 C1 C10 -166.2(6) . . . . ?
Rh1 P1 C1 C10 75.6(6) . . . . ?
C21 P1 C1 C2 131.7(5) . . . . ?
C27 P1 C1 C2 22.0(6) . . . . ?
Rh1 P1 C1 C2 -96.2(5) . . . . ?
C10 C1 C2 C3 0.5(10) . . . . ?
P1 C1 C2 C3 172.6(5) . . . . ?
C1 C2 C3 C4 -1.1(11) . . . . ?
C2 C3 C4 C5 -178.2(7) . . . . ?
C2 C3 C4 C9 1.3(11) . . . . ?
C3 C4 C5 C6 178.6(7) . . . . ?
C9 C4 C5 C6 -0.9(11) . . . . ?
C4 C5 C6 C7 2.0(12) . . . . ?
C5 C6 C7 C8 -1.7(12) . . . . ?
C6 C7 C8 C9 0.3(11) . . . . ?
C7 C8 C9 C4 0.7(10) . . . . ?
C7 C8 C9 C10 -178.2(6) . . . . ?
C3 C4 C9 C8 -179.9(6) . . . . ?
C5 C4 C9 C8 -0.4(10) . . . . ?
C3 C4 C9 C10 -0.9(10) . . . . ?
C5 C4 C9 C10 178.6(6) . . . . ?
C2 C1 C10 C9 -0.2(10) . . . . ?
P1 C1 C10 C9 -172.0(5) . . . . ?
C2 C1 C10 C11 -177.8(6) . . . . ?
P1 C1 C10 C11 10.4(9) . . . . ?
C8 C9 C10 C1 179.4(6) . . . . ?
C4 C9 C10 C1 0.5(10) . . . . ?
C8 C9 C10 C11 -3.0(10) . . . . ?
C4 C9 C10 C11 178.1(6) . . . . ?
C1 C10 C11 C20 -72.1(9) . . . . ?
C9 C10 C11 C20 110.3(7) . . . . ?
C1 C10 C11 C12 107.2(7) . . . . ?
C9 C10 C11 C12 -70.4(8) . . . . ?
C20 C11 C12 C13 179.2(6) . . . . ?
C10 C11 C12 C13 -0.2(9) . . . . ?
C20 C11 C12 C17 0.6(9) . . . . ?
C10 C11 C12 C17 -178.7(6) . . . . ?
C17 C12 C13 C14 0.2(9) . . . . ?
C11 C12 C13 C14 -178.4(6) . . . . ?
C12 C13 C14 C15 -1.7(10) . . . . ?
C13 C14 C15 C16 2.7(10) . . . . ?
C14 C15 C16 C17 -2.2(10) . . . . ?
C13 C12 C17 C18 -178.1(6) . . . . ?
C11 C12 C17 C18 0.5(9) . . . . ?
C13 C12 C17 C16 0.4(9) . . . . ?
C11 C12 C17 C16 178.9(6) . . . . ?
C15 C16 C17 C18 179.1(6) . . . . ?
C15 C16 C17 C12 0.7(10) . . . . ?
C12 C17 C18 C19 -1.3(9) . . . . ?
C16 C17 C18 C19 -179.7(6) . . . . ?
C17 C18 C19 C20 1.1(9) . . . . ?
C12 C11 C20 C19 -0.9(9) . . . . ?
C10 C11 C20 C19 178.4(6) . . . . ?
C12 C11 C20 P2 -172.6(4) . . . . ?
C10 C11 C20 P2 6.7(8) . . . . ?
C18 C19 C20 C11 0.1(9) . . . . ?
C18 C19 C20 P2 172.0(5) . . . . ?
C39 P2 C20 C11 -58.3(6) . . . . ?
C33 P2 C20 C11 -166.7(5) . . . . ?
Rh1 P2 C20 C11 74.0(5) . . . . ?
C39 P2 C20 C19 129.9(5) . . . . ?
C33 P2 C20 C19 21.5(5) . . . . ?
Rh1 P2 C20 C19 -97.8(5) . . . . ?
C27 P1 C21 C26 66.3(6) . . . . ?
C1 P1 C21 C26 -43.1(6) . . . . ?
Rh1 P1 C21 C26 -169.8(4) . . . . ?
C27 P1 C21 C22 -114.2(5) . . . . ?
C1 P1 C21 C22 136.4(5) . . . . ?
Rh1 P1 C21 C22 9.6(6) . . . . ?
C26 C21 C22 C23 0.6(10) . . . . ?
P1 C21 C22 C23 -178.9(6) . . . . ?
C21 C22 C23 C24 -0.7(11) . . . . ?
C22 C23 C24 C25 -0.1(12) . . . . ?
C23 C24 C25 C26 0.9(12) . . . . ?
C24 C25 C26 C21 -1.1(11) . . . . ?
C22 C21 C26 C25 0.3(10) . . . . ?
P1 C21 C26 C25 179.8(5) . . . . ?
C21 P1 C27 C32 169.2(6) . . . . ?
C1 P1 C27 C32 -81.7(6) . . . . ?
Rh1 P1 C27 C32 38.3(6) . . . . ?
C21 P1 C27 C28 -7.5(7) . . . . ?
C1 P1 C27 C28 101.6(6) . . . . ?
Rh1 P1 C27 C28 -138.3(5) . . . . ?
C32 C27 C28 C29 -2.5(11) . . . . ?
P1 C27 C28 C29 174.2(6) . . . . ?
C27 C28 C29 C30 1.7(11) . . . . ?
C28 C29 C30 C31 -0.4(12) . . . . ?
C29 C30 C31 C32 0.0(12) . . . . ?
C28 C27 C32 C31 2.1(12) . . . . ?
P1 C27 C32 C31 -174.8(6) . . . . ?
C30 C31 C32 C27 -0.9(13) . . . . ?
C39 P2 C33 C38 -27.9(7) . . . . ?
C20 P2 C33 C38 82.2(6) . . . . ?
Rh1 P2 C33 C38 -154.8(5) . . . . ?
C39 P2 C33 C34 157.0(5) . . . . ?
C20 P2 C33 C34 -92.9(5) . . . . ?
Rh1 P2 C33 C34 30.1(6) . . . . ?
C38 C33 C34 C35 -3.0(10) . . . . ?
P2 C33 C34 C35 172.3(5) . . . . ?
C33 C34 C35 C36 1.0(11) . . . . ?
C34 C35 C36 C37 0.6(11) . . . . ?
C35 C36 C37 C38 -0.1(12) . . . . ?
C34 C33 C38 C37 3.5(10) . . . . ?
P2 C33 C38 C37 -171.5(6) . . . . ?
C36 C37 C38 C33 -2.0(11) . . . . ?
C33 P2 C39 C40 68.7(6) . . . . ?
C20 P2 C39 C40 -38.1(7) . . . . ?
Rh1 P2 C39 C40 -169.2(5) . . . . ?
C33 P2 C39 C44 -106.7(6) . . . . ?
C20 P2 C39 C44 146.5(6) . . . . ?
Rh1 P2 C39 C44 15.4(7) . . . . ?
C44 C39 C40 C41 -2.3(11) . . . . ?
P2 C39 C40 C41 -177.5(6) . . . . ?
C39 C40 C41 C42 0.8(12) . . . . ?
C40 C41 C42 C43 0.8(13) . . . . ?
C41 C42 C43 C44 -0.9(14) . . . . ?
C40 C39 C44 C43 2.2(12) . . . . ?
P2 C39 C44 C43 177.7(6) . . . . ?
C42 C43 C44 C39 -0.6(13) . . . . ?

_refine_diff_density_max         0.594
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.062




_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_AX2164abs
_database_code_depnum_ccdc_archive 'CCDC 2176531'
loop_
_audit_author_name
_audit_author_address
'Hans-Joachim Drexler'
;LIKAT
Germany
;
_audit_update_record             
;
2022-06-02 deposited with the CCDC.	2022-11-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H34 N2 O P2 Rh, B F4, C4 H8 O'
_chemical_formula_sum            'C44 H42 B F4 N2 O2 P2 Rh'
_chemical_formula_weight         882.45

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'
O O 0.0106 0.0060 '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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_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                   9.0262(7)
_cell_length_b                   29.400(2)
_cell_length_c                   15.1648(12)
_cell_angle_alpha                90
_cell_angle_beta                 98.944(2)
_cell_angle_gamma                90
_cell_volume                     3975.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9953
_cell_measurement_theta_min      2.47
_cell_measurement_theta_max      25.07

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.223
_exptl_crystal_size_mid          0.142
_exptl_crystal_size_min          0.064
_exptl_absorpt_coefficient_mu    0.569
_shelx_estimated_absorpt_T_min   0.884
_shelx_estimated_absorpt_T_max   0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            90110
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_av_R_equivalents  0.0678
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.385
_diffrn_reflns_theta_max         26.584
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8315
_reflns_number_gt                6527
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0341P)²+4.1215P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8315
_refine_ls_number_parameters     544
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0344
_refine_ls_wR_factor_ref         0.0840
_refine_ls_wR_factor_gt          0.0756
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.062
_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_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 0.78903(2) 0.10964(2) 0.77724(2) 0.02014(6) Uani 1 1 d . . . . .
P1 P 0.65083(7) 0.07153(2) 0.66459(4) 0.01964(14) Uani 1 1 d . . . . .
P2 P 0.69003(7) 0.17827(2) 0.73672(4) 0.02053(14) Uani 1 1 d . . . . .
O1 O 0.3981(2) 0.13733(6) 0.70537(12) 0.0257(4) Uani 1 1 d . . . . .
N1 N 0.8967(3) 0.05184(8) 0.83105(15) 0.0280(5) Uani 1 1 d . . . . .
N2 N 0.9461(3) 0.14141(8) 0.87035(15) 0.0276(5) Uani 1 1 d . . . . .
C1 C 0.4488(3) 0.05996(9) 0.66370(17) 0.0228(5) Uani 1 1 d . . . . .
C2 C 0.3903(3) 0.01610(9) 0.64612(18) 0.0268(6) Uani 1 1 d . . . . .
H2 H 0.4527 -0.0068 0.6274 0.032 Uiso 1 1 calc R U . . .
C3 C 0.2437(3) 0.00526(10) 0.65532(19) 0.0321(6) Uani 1 1 d . . . . .
H3 H 0.2069 -0.0247 0.6429 0.039 Uiso 1 1 calc R U . . .
C4 C 0.1510(3) 0.03847(11) 0.6827(2) 0.0337(7) Uani 1 1 d . . . . .
H4 H 0.0513 0.0311 0.6905 0.040 Uiso 1 1 calc R U . . .
C5 C 0.2047(3) 0.08222(10) 0.69874(19) 0.0318(7) Uani 1 1 d . . . . .
H5 H 0.1417 0.1051 0.7171 0.038 Uiso 1 1 calc R U . . .
C6 C 0.3501(3) 0.09258(9) 0.68803(18) 0.0250(6) Uani 1 1 d . . . . .
C7 C 0.4190(3) 0.16253(9) 0.63010(18) 0.0255(6) Uani 1 1 d . . . . .
C8 C 0.3092(3) 0.16476(10) 0.5550(2) 0.0326(7) Uani 1 1 d . . . . .
H8 H 0.2168 0.1491 0.5535 0.039 Uiso 1 1 calc R U . . .
C9 C 0.3368(4) 0.19023(10) 0.4823(2) 0.0375(7) Uani 1 1 d . . . . .
H9 H 0.2629 0.1921 0.4305 0.045 Uiso 1 1 calc R U . . .
C10 C 0.4719(3) 0.21302(10) 0.4849(2) 0.0344(7) Uani 1 1 d . . . . .
H10 H 0.4911 0.2300 0.4346 0.041 Uiso 1 1 calc R U . . .
C11 C 0.5794(3) 0.21110(9) 0.56132(19) 0.0301(6) Uani 1 1 d . . . . .
H11 H 0.6712 0.2271 0.5631 0.036 Uiso 1 1 calc R U . . .
C12 C 0.5535(3) 0.18584(9) 0.63525(17) 0.0234(6) Uani 1 1 d . . . . .
C13 C 0.7221(3) 0.01335(9) 0.65400(18) 0.0231(5) Uani 1 1 d . . . . .
C14 C 0.7165(3) -0.01799(9) 0.7229(2) 0.0298(6) Uani 1 1 d . . . . .
H14 H 0.6695 -0.0097 0.7724 0.036 Uiso 1 1 calc R U . . .
C15 C 0.7785(3) -0.06080(10) 0.7199(2) 0.0369(7) Uani 1 1 d . . . . .
H15 H 0.7742 -0.0816 0.7674 0.044 Uiso 1 1 calc R U . . .
C16 C 0.8471(3) -0.07364(10) 0.6478(2) 0.0405(8) Uani 1 1 d . . . . .
H16 H 0.8912 -0.1029 0.6464 0.049 Uiso 1 1 calc R U . . .
C17 C 0.8508(3) -0.04362(10) 0.5783(2) 0.0367(7) Uani 1 1 d . . . . .
H17 H 0.8954 -0.0525 0.5283 0.044 Uiso 1 1 calc R U . . .
C18 C 0.7891(3) -0.00013(9) 0.58120(19) 0.0279(6) Uani 1 1 d . . . . .
H18 H 0.7928 0.0204 0.5332 0.033 Uiso 1 1 calc R U . . .
C19 C 0.6668(3) 0.09482(8) 0.55446(17) 0.0224(5) Uani 1 1 d . . . . .
C20 C 0.8056(3) 0.11371(9) 0.54406(18) 0.0259(6) Uani 1 1 d . . . . .
H20 H 0.8819 0.1169 0.5944 0.031 Uiso 1 1 calc R U . . .
C21 C 0.8318(3) 0.12779(9) 0.46073(19) 0.0309(6) Uani 1 1 d . . . . .
H21 H 0.9263 0.1404 0.4540 0.037 Uiso 1 1 calc R U . . .
C22 C 0.7208(4) 0.12353(10) 0.3871(2) 0.0353(7) Uani 1 1 d . . . . .
H22 H 0.7393 0.1330 0.3299 0.042 Uiso 1 1 calc R U . . .
C23 C 0.5827(4) 0.10547(9) 0.39711(19) 0.0333(7) Uani 1 1 d . . . . .
H23 H 0.5059 0.1032 0.3468 0.040 Uiso 1 1 calc R U . . .
C24 C 0.5558(3) 0.09065(9) 0.48065(18) 0.0260(6) Uani 1 1 d . . . . .
H24 H 0.4615 0.0777 0.4869 0.031 Uiso 1 1 calc R U . . .
C25 C 0.8324(3) 0.22125(9) 0.72356(17) 0.0249(6) Uani 1 1 d . . . . .
C26 C 0.9746(3) 0.20784(10) 0.70911(18) 0.0299(6) Uani 1 1 d . . . . .
H26 H 0.9966 0.1764 0.7043 0.036 Uiso 1 1 calc R U . . .
C27 C 1.0846(3) 0.23998(12) 0.7017(2) 0.0396(7) Uani 1 1 d . . . . .
H27 H 1.1812 0.2304 0.6920 0.048 Uiso 1 1 calc R U . . .
C28 C 1.0548(4) 0.28572(12) 0.7084(2) 0.0426(8) Uani 1 1 d . . . . .
H28 H 1.1308 0.3076 0.7038 0.051 Uiso 1 1 calc R U . . .
C29 C 0.9135(4) 0.29965(11) 0.7217(2) 0.0413(8) Uani 1 1 d . . . . .
H29 H 0.8923 0.3312 0.7259 0.050 Uiso 1 1 calc R U . . .
C30 C 0.8027(3) 0.26772(9) 0.72905(19) 0.0314(6) Uani 1 1 d . . . . .
H30 H 0.7058 0.2776 0.7379 0.038 Uiso 1 1 calc R U . . .
C31 C 0.5957(3) 0.20455(9) 0.82308(18) 0.0238(6) Uani 1 1 d . . . . .
C32 C 0.4855(3) 0.23762(9) 0.8025(2) 0.0303(6) Uani 1 1 d . . . . .
H32 H 0.4514 0.2452 0.7418 0.036 Uiso 1 1 calc R U . . .
C33 C 0.4249(3) 0.25959(11) 0.8696(2) 0.0370(7) Uani 1 1 d . . . . .
H33 H 0.3490 0.2819 0.8549 0.044 Uiso 1 1 calc R U . . .
C34 C 0.4752(3) 0.24884(10) 0.9583(2) 0.0360(7) Uani 1 1 d . . . . .
H34 H 0.4351 0.2642 1.0044 0.043 Uiso 1 1 calc R U . . .
C35 C 0.5829(3) 0.21599(11) 0.9794(2) 0.0356(7) Uani 1 1 d . . . . .
H35 H 0.6163 0.2084 1.0402 0.043 Uiso 1 1 calc R U . . .
C36 C 0.6435(3) 0.19372(10) 0.91232(18) 0.0288(6) Uani 1 1 d . . . . .
H36 H 0.7180 0.1710 0.9275 0.035 Uiso 1 1 calc R U . . .
C41 C 0.9698(4) 0.02265(11) 0.8613(2) 0.0394(7) Uani 1 1 d . . . . .
C42 C 1.0633(5) -0.01589(14) 0.8957(3) 0.0746(14) Uani 1 1 d . . . . .
H42A H 1.1049 -0.0303 0.8466 0.112 Uiso 1 1 calc R U . . .
H42B H 1.0025 -0.0380 0.9225 0.112 Uiso 1 1 calc R U . . .
H42C H 1.1454 -0.0052 0.9410 0.112 Uiso 1 1 calc R U . . .
C51 C 1.0435(3) 0.15507(9) 0.91978(19) 0.0300(6) Uani 1 1 d . . . . .
C52 C 1.1686(4) 0.17345(12) 0.9814(3) 0.0530(9) Uani 1 1 d . . . . .
H52A H 1.2211 0.1962 0.9507 0.079 Uiso 1 1 calc R U . . .
H52B H 1.2380 0.1488 1.0031 0.079 Uiso 1 1 calc R U . . .
H52C H 1.1310 0.1877 1.0320 0.079 Uiso 1 1 calc R U . . .
B1 B 0.9342(4) 0.14613(11) 0.1566(2) 0.0467(9) Uani 1 1 d D . . . .
F1 F 0.8724(10) 0.1883(2) 0.1354(8) 0.104(5) Uani 0.419(12) 1 d D . P A 1
F2 F 0.8551(10) 0.1228(3) 0.2087(5) 0.093(4) Uani 0.419(12) 1 d D . P A 1
F3 F 1.0792(5) 0.15033(19) 0.1903(7) 0.060(3) Uani 0.419(12) 1 d D . P A 1
F4 F 0.9233(13) 0.1222(3) 0.0745(4) 0.071(3) Uani 0.419(12) 1 d D . P A 1
F1' F 0.8922(9) 0.18540(17) 0.1137(4) 0.082(2) Uani 0.581(12) 1 d D . P A 2
F2' F 0.8145(6) 0.1218(2) 0.1749(6) 0.094(3) Uani 0.581(12) 1 d D . P A 2
F3' F 1.0158(10) 0.15767(15) 0.2413(4) 0.091(3) Uani 0.581(12) 1 d D . P A 2
F4' F 1.0242(9) 0.12077(18) 0.1140(5) 0.092(3) Uani 0.581(12) 1 d D . P A 2
O2 O 0.3251(4) 0.06626(16) -0.0437(4) 0.1283(17) Uani 1 1 d D . . . .
C61 C 0.4525(6) 0.0743(2) -0.0786(3) 0.0947(17) Uani 1 1 d D . . . .
H61A H 0.4496 0.1052 -0.1050 0.114 Uiso 1 1 calc R U . . .
H61B H 0.4629 0.0518 -0.1259 0.114 Uiso 1 1 calc R U . . .
C62 C 0.5822(5) 0.0703(2) -0.0035(4) 0.103(2) Uani 1 1 d D . . . .
H62A H 0.6246 0.0392 0.0011 0.123 Uiso 1 1 calc R U . . .
H62B H 0.6626 0.0925 -0.0097 0.123 Uiso 1 1 calc R U . . .
C63 C 0.5041(7) 0.0815(3) 0.0742(4) 0.138(3) Uani 1 1 d D . . . .
H63A H 0.5542 0.0667 0.1295 0.165 Uiso 1 1 calc R U . . .
H63B H 0.5012 0.1148 0.0840 0.165 Uiso 1 1 calc R U . . .
C64 C 0.3497(7) 0.0628(2) 0.0462(5) 0.115(3) Uani 1 1 d D . . . .
H64A H 0.3444 0.0306 0.0649 0.138 Uiso 1 1 calc R U . . .
H64B H 0.2748 0.0806 0.0727 0.138 Uiso 1 1 calc R U . . .


_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 2.062(2) . ?
Rh1 N2 2.062(2) . ?
Rh1 P1 2.2512(7) . ?
Rh1 P2 2.2530(7) . ?
P1 C19 1.831(3) . ?
P1 C13 1.843(3) . ?
P1 C1 1.853(3) . ?
P2 C12 1.829(3) . ?
P2 C25 1.835(3) . ?
P2 C31 1.840(3) . ?
O1 C6 1.397(3) . ?
O1 C7 1.398(3) . ?
N1 C41 1.135(4) . ?
N2 C51 1.136(3) . ?
C1 C6 1.397(4) . ?
C1 C2 1.403(4) . ?
C2 C3 1.389(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.391(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.381(4) . ?
C5 H5 0.9500 . ?
C7 C12 1.386(4) . ?
C7 C8 1.390(4) . ?
C8 C9 1.387(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.386(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.392(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(4) . ?
C11 H11 0.9500 . ?
C13 C18 1.396(4) . ?
C13 C14 1.400(4) . ?
C14 C15 1.381(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.390(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.379(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.398(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.387(4) . ?
C19 C20 1.402(4) . ?
C20 C21 1.385(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.386(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.396(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.392(4) . ?
C25 C30 1.397(4) . ?
C26 C27 1.387(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.378(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.384(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.391(4) . ?
C31 C36 1.392(4) . ?
C32 C33 1.388(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.373(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.392(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.460(5) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C51 C52 1.453(4) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
B1 F3 1.335(4) . ?
B1 F2 1.335(5) . ?
B1 F4' 1.340(4) . ?
B1 F1' 1.350(4) . ?
B1 F2' 1.360(5) . ?
B1 F1 1.376(5) . ?
B1 F3' 1.419(4) . ?
B1 F4 1.419(5) . ?
O2 C64 1.351(5) . ?
O2 C61 1.359(5) . ?
C61 C62 1.506(4) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.500(4) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.497(4) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Rh1 N2 82.57(9) . . ?
N1 Rh1 P1 93.53(7) . . ?
N2 Rh1 P1 170.34(7) . . ?
N1 Rh1 P2 171.31(7) . . ?
N2 Rh1 P2 88.99(6) . . ?
P1 Rh1 P2 95.13(2) . . ?
C19 P1 C13 100.94(12) . . ?
C19 P1 C1 106.18(12) . . ?
C13 P1 C1 100.68(12) . . ?
C19 P1 Rh1 113.15(9) . . ?
C13 P1 Rh1 111.62(9) . . ?
C1 P1 Rh1 121.70(9) . . ?
C12 P2 C25 102.49(12) . . ?
C12 P2 C31 102.82(12) . . ?
C25 P2 C31 101.41(12) . . ?
C12 P2 Rh1 121.67(8) . . ?
C25 P2 Rh1 113.04(9) . . ?
C31 P2 Rh1 112.95(9) . . ?
C6 O1 C7 115.0(2) . . ?
C41 N1 Rh1 172.6(3) . . ?
C51 N2 Rh1 172.2(2) . . ?
C6 C1 C2 116.4(2) . . ?
C6 C1 P1 122.6(2) . . ?
C2 C1 P1 120.73(19) . . ?
C3 C2 C1 121.9(2) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C2 C3 C4 119.7(3) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 119.6(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C6 C5 C4 119.9(3) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C1 122.4(3) . . ?
C5 C6 O1 117.2(2) . . ?
C1 C6 O1 120.3(2) . . ?
C12 C7 C8 122.0(3) . . ?
C12 C7 O1 116.4(2) . . ?
C8 C7 O1 121.7(3) . . ?
C9 C8 C7 118.9(3) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C10 C9 C8 120.3(3) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 120.0(3) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 120.6(3) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 118.2(2) . . ?
C7 C12 P2 117.2(2) . . ?
C11 C12 P2 124.5(2) . . ?
C18 C13 C14 118.2(2) . . ?
C18 C13 P1 122.2(2) . . ?
C14 C13 P1 119.5(2) . . ?
C15 C14 C13 120.9(3) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 120.4(3) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C17 C16 C15 119.6(3) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 120.3(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C13 C18 C17 120.5(3) . . ?
C13 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C24 C19 C20 119.4(2) . . ?
C24 C19 P1 123.6(2) . . ?
C20 C19 P1 116.7(2) . . ?
C21 C20 C19 120.3(3) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 120.2(3) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C23 C22 C21 119.8(3) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.4(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C19 C24 C23 119.9(3) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C30 118.5(3) . . ?
C26 C25 P2 120.0(2) . . ?
C30 C25 P2 121.5(2) . . ?
C27 C26 C25 120.5(3) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C26 120.6(3) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 119.6(3) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C28 C29 C30 120.2(3) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C25 120.6(3) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C32 C31 C36 118.8(2) . . ?
C32 C31 P2 121.8(2) . . ?
C36 C31 P2 119.2(2) . . ?
C33 C32 C31 120.7(3) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C34 C33 C32 119.9(3) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C35 C34 C33 120.0(3) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.3(3) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C35 C36 C31 120.4(3) . . ?
C35 C36 H36 119.8 . . ?
C31 C36 H36 119.8 . . ?
N1 C41 C42 177.1(4) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N2 C51 C52 178.5(3) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
F3 B1 F2 113.8(4) . . ?
F4' B1 F1' 112.9(4) . . ?
F4' B1 F2' 111.5(4) . . ?
F1' B1 F2' 112.1(4) . . ?
F3 B1 F1 110.1(4) . . ?
F2 B1 F1 111.5(4) . . ?
F4' B1 F3' 107.5(3) . . ?
F1' B1 F3' 107.4(4) . . ?
F2' B1 F3' 105.0(3) . . ?
F3 B1 F4 108.2(4) . . ?
F2 B1 F4 107.1(4) . . ?
F1 B1 F4 105.7(4) . . ?
C64 O2 C61 113.0(4) . . ?
O2 C61 C62 107.3(4) . . ?
O2 C61 H61A 110.3 . . ?
C62 C61 H61A 110.3 . . ?
O2 C61 H61B 110.3 . . ?
C62 C61 H61B 110.3 . . ?
H61A C61 H61B 108.5 . . ?
C63 C62 C61 99.9(4) . . ?
C63 C62 H62A 111.8 . . ?
C61 C62 H62A 111.8 . . ?
C63 C62 H62B 111.8 . . ?
C61 C62 H62B 111.8 . . ?
H62A C62 H62B 109.5 . . ?
C64 C63 C62 103.1(4) . . ?
C64 C63 H63A 111.1 . . ?
C62 C63 H63A 111.1 . . ?
C64 C63 H63B 111.1 . . ?
C62 C63 H63B 111.1 . . ?
H63A C63 H63B 109.1 . . ?
O2 C64 C63 105.0(4) . . ?
O2 C64 H64A 110.8 . . ?
C63 C64 H64A 110.8 . . ?
O2 C64 H64B 110.8 . . ?
C63 C64 H64B 110.8 . . ?
H64A C64 H64B 108.8 . . ?

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
C19 P1 C1 C6 -88.4(2) . . . . ?
C13 P1 C1 C6 166.8(2) . . . . ?
Rh1 P1 C1 C6 42.9(3) . . . . ?
C19 P1 C1 C2 97.6(2) . . . . ?
C13 P1 C1 C2 -7.3(2) . . . . ?
Rh1 P1 C1 C2 -131.12(19) . . . . ?
C6 C1 C2 C3 -2.1(4) . . . . ?
P1 C1 C2 C3 172.3(2) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C2 C3 C4 C5 1.4(5) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C4 C5 C6 C1 -1.9(4) . . . . ?
C4 C5 C6 O1 -179.9(3) . . . . ?
C2 C1 C6 C5 3.1(4) . . . . ?
P1 C1 C6 C5 -171.2(2) . . . . ?
C2 C1 C6 O1 -179.0(2) . . . . ?
P1 C1 C6 O1 6.7(4) . . . . ?
C7 O1 C6 C5 -109.6(3) . . . . ?
C7 O1 C6 C1 72.4(3) . . . . ?
C6 O1 C7 C12 -130.9(2) . . . . ?
C6 O1 C7 C8 50.4(3) . . . . ?
C12 C7 C8 C9 1.5(4) . . . . ?
O1 C7 C8 C9 -179.8(2) . . . . ?
C7 C8 C9 C10 0.0(4) . . . . ?
C8 C9 C10 C11 -1.2(4) . . . . ?
C9 C10 C11 C12 0.9(4) . . . . ?
C8 C7 C12 C11 -1.8(4) . . . . ?
O1 C7 C12 C11 179.5(2) . . . . ?
C8 C7 C12 P2 -178.0(2) . . . . ?
O1 C7 C12 P2 3.2(3) . . . . ?
C10 C11 C12 C7 0.6(4) . . . . ?
C10 C11 C12 P2 176.5(2) . . . . ?
C25 P2 C12 C7 -171.0(2) . . . . ?
C31 P2 C12 C7 -66.0(2) . . . . ?
Rh1 P2 C12 C7 61.6(2) . . . . ?
C25 P2 C12 C11 13.0(3) . . . . ?
C31 P2 C12 C11 118.0(2) . . . . ?
Rh1 P2 C12 C11 -114.4(2) . . . . ?
C19 P1 C13 C18 9.0(2) . . . . ?
C1 P1 C13 C18 118.0(2) . . . . ?
Rh1 P1 C13 C18 -111.5(2) . . . . ?
C19 P1 C13 C14 -174.4(2) . . . . ?
C1 P1 C13 C14 -65.4(2) . . . . ?
Rh1 P1 C13 C14 65.1(2) . . . . ?
C18 C13 C14 C15 1.4(4) . . . . ?
P1 C13 C14 C15 -175.4(2) . . . . ?
C13 C14 C15 C16 -0.4(5) . . . . ?
C14 C15 C16 C17 -1.1(5) . . . . ?
C15 C16 C17 C18 1.5(5) . . . . ?
C14 C13 C18 C17 -1.0(4) . . . . ?
P1 C13 C18 C17 175.7(2) . . . . ?
C16 C17 C18 C13 -0.5(4) . . . . ?
C13 P1 C19 C24 87.2(2) . . . . ?
C1 P1 C19 C24 -17.4(3) . . . . ?
Rh1 P1 C19 C24 -153.4(2) . . . . ?
C13 P1 C19 C20 -86.2(2) . . . . ?
C1 P1 C19 C20 169.1(2) . . . . ?
Rh1 P1 C19 C20 33.1(2) . . . . ?
C24 C19 C20 C21 -0.4(4) . . . . ?
P1 C19 C20 C21 173.4(2) . . . . ?
C19 C20 C21 C22 0.3(4) . . . . ?
C20 C21 C22 C23 0.5(4) . . . . ?
C21 C22 C23 C24 -1.4(4) . . . . ?
C20 C19 C24 C23 -0.4(4) . . . . ?
P1 C19 C24 C23 -173.7(2) . . . . ?
C22 C23 C24 C19 1.3(4) . . . . ?
C12 P2 C25 C26 -111.6(2) . . . . ?
C31 P2 C25 C26 142.4(2) . . . . ?
Rh1 P2 C25 C26 21.2(2) . . . . ?
C12 P2 C25 C30 69.4(2) . . . . ?
C31 P2 C25 C30 -36.6(3) . . . . ?
Rh1 P2 C25 C30 -157.8(2) . . . . ?
C30 C25 C26 C27 0.9(4) . . . . ?
P2 C25 C26 C27 -178.1(2) . . . . ?
C25 C26 C27 C28 -0.1(5) . . . . ?
C26 C27 C28 C29 -0.6(5) . . . . ?
C27 C28 C29 C30 0.5(5) . . . . ?
C28 C29 C30 C25 0.3(5) . . . . ?
C26 C25 C30 C29 -1.1(4) . . . . ?
P2 C25 C30 C29 177.9(2) . . . . ?
C12 P2 C31 C32 -24.2(3) . . . . ?
C25 P2 C31 C32 81.6(2) . . . . ?
Rh1 P2 C31 C32 -157.1(2) . . . . ?
C12 P2 C31 C36 160.9(2) . . . . ?
C25 P2 C31 C36 -93.4(2) . . . . ?
Rh1 P2 C31 C36 27.9(2) . . . . ?
C36 C31 C32 C33 0.3(4) . . . . ?
P2 C31 C32 C33 -174.7(2) . . . . ?
C31 C32 C33 C34 0.6(5) . . . . ?
C32 C33 C34 C35 -1.1(5) . . . . ?
C33 C34 C35 C36 0.8(5) . . . . ?
C34 C35 C36 C31 0.1(4) . . . . ?
C32 C31 C36 C35 -0.6(4) . . . . ?
P2 C31 C36 C35 174.5(2) . . . . ?
C64 O2 C61 C62 7.4(7) . . . . ?
O2 C61 C62 C63 -25.7(6) . . . . ?
C61 C62 C63 C64 33.0(6) . . . . ?
C61 O2 C64 C63 14.6(7) . . . . ?
C62 C63 C64 O2 -30.5(7) . . . . ?

_refine_diff_density_max         0.621
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.069



_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_ks423a_sq
_database_code_depnum_ccdc_archive 'CCDC 2176530'
loop_
_audit_author_name
_audit_author_address
'Hans-Joachim Drexler'
;LIKAT
Germany
;
_audit_update_record             
;
2022-06-02 deposited with the CCDC.	2022-11-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H40 O2 P2 Rh, B F4 [+ solvent]'
_chemical_formula_sum            'C38 H40 B F4 O2 P2 Rh [+ solvent]'
_chemical_formula_weight         780.36

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'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

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

_cell_length_a                   18.996(4)
_cell_length_b                   11.954(2)
_cell_length_c                   18.381(4)
_cell_angle_alpha                90
_cell_angle_beta                 118.24(3)
_cell_angle_gamma                90
_cell_volume                     3677.1(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    44485
_cell_measurement_theta_min      2.09
_cell_measurement_theta_max      27.15

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_F_000             1600
_exptl_absorpt_coefficient_mu    0.604
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.6954
_exptl_absorpt_correction_T_max  0.7803
_exptl_absorpt_process_details   'X-SHAPE (Stoe & Cie, 2005)'

_exptl_special_details           
; 
 ? 
;


_diffrn_ambient_temperature      200(2)
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_type            STOE
_diffrn_detector_area_resol_mean 6.67
_diffrn_source                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_voltage           50
_diffrn_source_current           30
_diffrn_source_power             1.50
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_details      
; 360 frames, detector distance = 120 mm
;
_diffrn_reflns_number            51868
_diffrn_reflns_av_unetI/netI     0.0389
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.094
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.979
_reflns_number_total             14148
_reflns_number_gt                10891
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.861
_reflns_Friedel_fraction_max     0.953
_reflns_Friedel_fraction_full    0.957

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_cell_refinement       X-AREA
_computing_data_reduction        'X-RED (Stoe & Cie, 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0607P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4341 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.09(2)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         14148
_refine_ls_number_parameters     824
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.0978
_refine_ls_wR_factor_gt          0.0937
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.052
_refine_ls_shift/su_mean         0.001

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 0.19009(4) 0.36319(4) 0.53583(4) 0.03988(19) Uani 1 1 d . . . . .
Rh2 Rh 0.18942(4) 0.42827(4) 0.03926(4) 0.0420(2) Uani 1 1 d . . . . .
P1 P 0.17179(14) 0.3249(2) 0.64844(15) 0.0391(6) Uani 1 1 d . . . . .
P2 P 0.31367(14) 0.2774(2) 0.58613(15) 0.0374(5) Uani 1 1 d . . . . .
P3 P 0.31193(15) 0.5191(3) 0.09140(16) 0.0481(7) Uani 1 1 d . . . . .
P4 P 0.17022(15) 0.4670(2) 0.15081(15) 0.0443(7) Uani 1 1 d . . . . .
O1 O 0.3713(3) 0.3290(5) 0.8720(3) 0.0583(15) Uani 1 1 d . . . . .
O2 O 0.4488(4) 0.2400(7) 0.8242(4) 0.063(2) Uani 1 1 d . . . . .
O3 O 0.4457(4) 0.5451(6) 0.3119(4) 0.0546(18) Uani 1 1 d . . . . .
O4 O 0.3859(3) 0.4100(5) 0.3498(3) 0.0565(14) Uani 1 1 d . . . . .
C1 C 0.1567(6) 0.3566(11) 0.4044(6) 0.049(2) Uani 1 1 d . . . . .
H1A H 0.1744 0.2972 0.3800 0.059 Uiso 1 1 calc R U . . .
C2 C 0.1972(6) 0.4495(10) 0.4350(6) 0.054(3) Uani 1 1 d . . . . .
H2A H 0.2478 0.4663 0.4352 0.065 Uiso 1 1 calc R U . . .
C3 C 0.1340(6) 0.5408(11) 0.4242(7) 0.059(3) Uani 1 1 d . . . . .
H3A H 0.1507 0.6193 0.4289 0.071 Uiso 1 1 calc R U . . .
C4 C 0.1035(5) 0.4990(10) 0.4839(6) 0.047(3) Uani 1 1 d . . . . .
H4A H 0.0903 0.5494 0.5177 0.057 Uiso 1 1 calc R U . . .
C5 C 0.0646(5) 0.4008(9) 0.4527(6) 0.046(2) Uani 1 1 d . . . . .
H5A H 0.0207 0.3739 0.4619 0.055 Uiso 1 1 calc R U . . .
C6 C 0.0661(6) 0.3866(9) 0.3730(5) 0.048(3) Uani 1 1 d . . . . .
H6A H 0.0272 0.3337 0.3338 0.058 Uiso 1 1 calc R U . . .
C7 C 0.0610(6) 0.5041(11) 0.3423(6) 0.058(3) Uani 1 1 d . . . . .
H7A H 0.0119 0.5418 0.3318 0.069 Uiso 1 1 calc R U . . .
H7B H 0.0701 0.5097 0.2948 0.069 Uiso 1 1 calc R U . . .
C8 C 0.2494(5) 0.3684(9) 0.7509(5) 0.048(2) Uani 1 1 d . . . . .
H8A H 0.2690 0.4416 0.7463 0.058 Uiso 1 1 calc R U . . .
H8B H 0.2255 0.3757 0.7872 0.058 Uiso 1 1 calc R U . . .
C9 C 0.3214(4) 0.2867(6) 0.7912(4) 0.0509(17) Uani 1 1 d . . . . .
H9A H 0.3024 0.2117 0.7949 0.061 Uiso 1 1 calc R U . . .
C11 C 0.3778(4) 0.2793(7) 0.7553(4) 0.0469(18) Uani 1 1 d . . . . .
H11A H 0.3869 0.3540 0.7395 0.056 Uiso 1 1 calc R U . . .
C12 C 0.3554(6) 0.1980(8) 0.6832(6) 0.046(2) Uani 1 1 d . . . . .
H12A H 0.3163 0.1445 0.6817 0.056 Uiso 1 1 calc R U . . .
H12B H 0.4024 0.1572 0.6905 0.056 Uiso 1 1 calc R U . . .
C15 C 0.0849(6) 0.3937(9) 0.6469(6) 0.047(3) Uani 1 1 d . . . . .
C16 C 0.0923(7) 0.5052(11) 0.6736(7) 0.063(3) Uani 1 1 d . . . . .
H16A H 0.1403 0.5437 0.6932 0.075 Uiso 1 1 calc R U . . .
C17 C 0.0246(8) 0.5554(13) 0.6695(7) 0.081(4) Uani 1 1 d . . . . .
H17A H 0.0289 0.6290 0.6875 0.097 Uiso 1 1 calc R U . . .
C18 C -0.0471(9) 0.5042(13) 0.6412(7) 0.076(4) Uani 1 1 d . . . . .
H18A H -0.0904 0.5395 0.6418 0.091 Uiso 1 1 calc R U . . .
C19 C -0.0526(6) 0.3995(12) 0.6120(6) 0.063(4) Uani 1 1 d . . . . .
H19A H -0.1026 0.3655 0.5880 0.076 Uiso 1 1 calc R U . . .
C20 C 0.0100(6) 0.3396(10) 0.6152(6) 0.050(3) Uani 1 1 d . . . . .
H20A H 0.0036 0.2658 0.5971 0.061 Uiso 1 1 calc R U . . .
C21 C 0.1541(5) 0.1788(9) 0.6596(6) 0.040(2) Uani 1 1 d . . . . .
C22 C 0.1588(6) 0.1348(9) 0.7330(6) 0.047(2) Uani 1 1 d . . . . .
H22A H 0.1661 0.1824 0.7760 0.056 Uiso 1 1 calc R U . . .
C23 C 0.1525(6) 0.0221(10) 0.7407(7) 0.055(3) Uani 1 1 d . . . . .
H23A H 0.1567 -0.0059 0.7898 0.066 Uiso 1 1 calc R U . . .
C24 C 0.1403(5) -0.0507(9) 0.6786(6) 0.048(2) Uani 1 1 d . . . . .
H24A H 0.1358 -0.1271 0.6848 0.057 Uiso 1 1 calc R U . . .
C25 C 0.1351(6) -0.0083(9) 0.6075(7) 0.053(3) Uani 1 1 d . . . . .
H25A H 0.1281 -0.0579 0.5656 0.063 Uiso 1 1 calc R U . . .
C26 C 0.1395(6) 0.1030(10) 0.5946(6) 0.050(3) Uani 1 1 d . . . . .
H26A H 0.1331 0.1288 0.5441 0.060 Uiso 1 1 calc R U . . .
C27 C 0.3948(5) 0.3744(9) 0.6063(5) 0.038(2) Uani 1 1 d . . . . .
C28 C 0.4719(6) 0.3298(11) 0.6322(6) 0.053(3) Uani 1 1 d . . . . .
H28A H 0.4795 0.2541 0.6267 0.063 Uiso 1 1 calc R U . . .
C29 C 0.5358(6) 0.4037(13) 0.6662(7) 0.066(4) Uani 1 1 d . . . . .
H29A H 0.5872 0.3767 0.6833 0.080 Uiso 1 1 calc R U . . .
C30 C 0.5255(7) 0.5159(12) 0.6755(7) 0.062(3) Uani 1 1 d . . . . .
H30A H 0.5694 0.5633 0.6993 0.075 Uiso 1 1 calc R U . . .
C31 C 0.4496(7) 0.5574(10) 0.6492(7) 0.059(3) Uani 1 1 d . . . . .
H31A H 0.4422 0.6336 0.6530 0.070 Uiso 1 1 calc R U . . .
C32 C 0.3846(6) 0.4867(8) 0.6174(6) 0.044(2) Uani 1 1 d . . . . .
H32A H 0.3340 0.5142 0.6035 0.053 Uiso 1 1 calc R U . . .
C33 C 0.3115(6) 0.1829(9) 0.5076(6) 0.049(3) Uani 1 1 d . . . . .
C34 C 0.3285(6) 0.2175(12) 0.4469(6) 0.061(3) Uani 1 1 d . . . . .
H34A H 0.3466 0.2900 0.4477 0.073 Uiso 1 1 calc R U . . .
C35 C 0.3190(7) 0.1459(13) 0.3850(7) 0.076(4) Uani 1 1 d . . . . .
H35A H 0.3328 0.1688 0.3450 0.091 Uiso 1 1 calc R U . . .
C36 C 0.2880(8) 0.0362(16) 0.3813(10) 0.099(6) Uani 1 1 d . . . . .
H36A H 0.2798 -0.0127 0.3387 0.118 Uiso 1 1 calc R U . . .
C37 C 0.2721(7) 0.0076(13) 0.4390(10) 0.088(5) Uani 1 1 d . . . . .
H37A H 0.2490 -0.0625 0.4341 0.106 Uiso 1 1 calc R U . . .
C38 C 0.2854(6) 0.0702(12) 0.5086(8) 0.075(4) Uani 1 1 d . . . . .
H38A H 0.2781 0.0417 0.5516 0.090 Uiso 1 1 calc R U . . .
C51 C 0.1926(6) 0.3416(11) -0.0667(6) 0.051(3) Uani 1 1 d . . . . .
H51A H 0.2422 0.3239 -0.0683 0.061 Uiso 1 1 calc R U . . .
C52 C 0.1513(6) 0.4442(11) -0.0951(5) 0.050(3) Uani 1 1 d . . . . .
H52A H 0.1701 0.5044 -0.1178 0.060 Uiso 1 1 calc R U . . .
C53 C 0.0642(6) 0.4195(10) -0.1258(6) 0.047(2) Uani 1 1 d . . . . .
H53A H 0.0248 0.4733 -0.1633 0.056 Uiso 1 1 calc R U . . .
C54 C 0.0622(5) 0.3886(10) -0.0438(5) 0.050(3) Uani 1 1 d . . . . .
H54A H 0.0188 0.4107 -0.0323 0.060 Uiso 1 1 calc R U . . .
C55 C 0.1052(6) 0.2905(10) -0.0148(7) 0.055(3) Uani 1 1 d . . . . .
H55A H 0.0944 0.2364 0.0187 0.066 Uiso 1 1 calc R U . . .
C56 C 0.1309(6) 0.2556(9) -0.0778(7) 0.048(3) Uani 1 1 d . . . . .
H56A H 0.1461 0.1770 -0.0768 0.058 Uiso 1 1 calc R U . . .
C57 C 0.0622(6) 0.2981(9) -0.1575(6) 0.051(3) Uani 1 1 d . . . . .
H57A H 0.0123 0.2600 -0.1717 0.061 Uiso 1 1 calc R U . . .
H57B H 0.0738 0.2952 -0.2036 0.061 Uiso 1 1 calc R U . . .
C58 C 0.3445(6) 0.6118(8) 0.1820(6) 0.050(2) Uani 1 1 d . . . . .
H58A H 0.3928 0.6497 0.1900 0.061 Uiso 1 1 calc R U . . .
H58B H 0.3038 0.6686 0.1687 0.061 Uiso 1 1 calc R U . . .
C59 C 0.3609(4) 0.5597(7) 0.2629(5) 0.0477(18) Uani 1 1 d . . . . .
H59A H 0.3418 0.6100 0.2919 0.057 Uiso 1 1 calc R U . . .
C60 C 0.4612(4) 0.4590(7) 0.3708(4) 0.051(2) Uani 1 1 d . . . . .
C61 C 0.3328(4) 0.4412(6) 0.2656(4) 0.0480(16) Uani 1 1 d . . . . .
H61A H 0.3415 0.3929 0.2276 0.058 Uiso 1 1 calc R U . . .
C62 C 0.2505(5) 0.4269(10) 0.2534(5) 0.055(3) Uani 1 1 d . . . . .
H62A H 0.2449 0.4709 0.2947 0.066 Uiso 1 1 calc R U . . .
H62B H 0.2431 0.3490 0.2630 0.066 Uiso 1 1 calc R U . . .
C63 C 0.4965(5) 0.5045(8) 0.4585(4) 0.059(2) Uani 1 1 d . . . . .
H63A H 0.5061 0.4439 0.4963 0.089 Uiso 1 1 calc R U . . .
H63B H 0.5460 0.5420 0.4724 0.089 Uiso 1 1 calc R U . . .
H63C H 0.4597 0.5564 0.4621 0.089 Uiso 1 1 calc R U . . .
C64 C 0.5165(5) 0.3737(8) 0.3638(5) 0.077(2) Uani 1 1 d . . . . .
H64A H 0.5273 0.3152 0.4034 0.116 Uiso 1 1 calc R U . . .
H64B H 0.4917 0.3425 0.3092 0.116 Uiso 1 1 calc R U . . .
H64C H 0.5657 0.4093 0.3743 0.116 Uiso 1 1 calc R U . . .
C65 C 0.3984(6) 0.4272(10) 0.1210(5) 0.046(2) Uani 1 1 d . . . . .
C66 C 0.4739(6) 0.4677(10) 0.1466(5) 0.052(3) Uani 1 1 d . . . . .
H66A H 0.4812 0.5445 0.1454 0.062 Uiso 1 1 calc R U . . .
C67 C 0.5403(7) 0.3978(12) 0.1745(6) 0.060(3) Uani 1 1 d . . . . .
H67A H 0.5912 0.4268 0.1923 0.073 Uiso 1 1 calc R U . . .
C68 C 0.5281(7) 0.2849(15) 0.1750(7) 0.074(4) Uani 1 1 d . . . . .
H68A H 0.5716 0.2368 0.1927 0.089 Uiso 1 1 calc R U . . .
C69 C 0.4537(8) 0.2410(12) 0.1501(7) 0.067(4) Uani 1 1 d . . . . .
H69A H 0.4468 0.1647 0.1543 0.081 Uiso 1 1 calc R U . . .
C70 C 0.3878(6) 0.3143(11) 0.1181(6) 0.060(3) Uani 1 1 d . . . . .
H70A H 0.3363 0.2851 0.0945 0.072 Uiso 1 1 calc R U . . .
C71 C 0.3110(6) 0.6141(11) 0.0134(7) 0.057(3) Uani 1 1 d . . . . .
C72 C 0.2814(7) 0.7184(11) 0.0024(8) 0.070(4) Uani 1 1 d . . . . .
H72A H 0.2657 0.7461 0.0398 0.084 Uiso 1 1 calc R U . . .
C73 C 0.2729(8) 0.7878(16) -0.0631(11) 0.111(7) Uani 1 1 d . . . . .
H73A H 0.2567 0.8620 -0.0675 0.134 Uiso 1 1 calc R U . . .
C74 C 0.2914(8) 0.7348(17) -0.1242(9) 0.097(6) Uani 1 1 d . . . . .
H74A H 0.2856 0.7759 -0.1696 0.116 Uiso 1 1 calc R U . . .
C75 C 0.3162(9) 0.6295(16) -0.1159(8) 0.089(5) Uani 1 1 d . . . . .
H75A H 0.3256 0.5969 -0.1564 0.107 Uiso 1 1 calc R U . . .
C76 C 0.3282(8) 0.5679(12) -0.0470(7) 0.071(4) Uani 1 1 d . . . . .
H76A H 0.3477 0.4953 -0.0406 0.085 Uiso 1 1 calc R U . . .
C77 C 0.0821(6) 0.3997(9) 0.1468(6) 0.046(3) Uani 1 1 d . . . . .
C78 C 0.0133(7) 0.4576(11) 0.1221(6) 0.060(3) Uani 1 1 d . . . . .
H78A H 0.0122 0.5325 0.1081 0.072 Uiso 1 1 calc R U . . .
C79 C -0.0570(7) 0.4095(13) 0.1168(7) 0.067(3) Uani 1 1 d . . . . .
H79A H -0.1033 0.4512 0.1012 0.080 Uiso 1 1 calc R U . . .
C80 C -0.0533(8) 0.3000(15) 0.1355(8) 0.081(4) Uani 1 1 d . . . . .
H80A H -0.0994 0.2658 0.1305 0.097 Uiso 1 1 calc R U . . .
C81 C 0.0160(8) 0.2339(11) 0.1622(8) 0.076(4) Uani 1 1 d . . . . .
H81A H 0.0173 0.1589 0.1762 0.091 Uiso 1 1 calc R U . . .
C82 C 0.0828(7) 0.2891(11) 0.1664(7) 0.061(3) Uani 1 1 d . . . . .
H82A H 0.1298 0.2488 0.1832 0.074 Uiso 1 1 calc R U . . .
C83 C 0.1570(6) 0.6154(9) 0.1610(6) 0.044(3) Uani 1 1 d . . . . .
C84 C 0.1673(6) 0.6621(10) 0.2335(7) 0.051(3) Uani 1 1 d . . . . .
H84A H 0.1801 0.6161 0.2788 0.061 Uiso 1 1 calc R U . . .
C85 C 0.1590(7) 0.7776(10) 0.2411(7) 0.057(3) Uani 1 1 d . . . . .
H85A H 0.1661 0.8085 0.2905 0.069 Uiso 1 1 calc R U . . .
C86 C 0.1396(6) 0.8445(10) 0.1719(7) 0.061(3) Uani 1 1 d . . . . .
H86A H 0.1356 0.9214 0.1763 0.073 Uiso 1 1 calc R U . . .
C87 C 0.1262(6) 0.8002(10) 0.0974(7) 0.055(3) Uani 1 1 d . . . . .
H87A H 0.1109 0.8453 0.0512 0.066 Uiso 1 1 calc R U . . .
C88 C 0.1365(6) 0.6843(10) 0.0937(7) 0.048(3) Uani 1 1 d . . . . .
H88A H 0.1293 0.6531 0.0443 0.057 Uiso 1 1 calc R U . . .
B1 B 0.2473(4) 0.0783(6) 0.1371(4) 0.072(3) Uiso 1 1 d D . . . .
F1 F 0.1660(4) 0.0766(9) 0.1144(8) 0.062(3) Uiso 0.430(12) 1 d D . P A 3
F2 F 0.2846(8) 0.1627(10) 0.1861(8) 0.105(5) Uiso 0.430(12) 1 d D . P A 3
F3 F 0.2805(7) -0.0223(8) 0.1702(8) 0.081(4) Uiso 0.430(12) 1 d D . P A 3
F4 F 0.2496(10) 0.0883(13) 0.0622(7) 0.145(8) Uiso 0.430(12) 1 d D . P A 3
F1' F 0.1731(3) 0.0582(7) 0.0811(4) 0.055(2) Uiso 0.570(12) 1 d D . P A 4
F2' F 0.2513(6) 0.1902(5) 0.1652(6) 0.082(3) Uiso 0.570(12) 1 d D . P A 4
F3' F 0.2749(4) 0.0129(6) 0.2071(4) 0.056(2) Uiso 0.570(12) 1 d D . P A 4
F4' F 0.3014(6) 0.0707(9) 0.1081(7) 0.121(5) Uiso 0.570(12) 1 d D . P A 4
B2 B 0.2457(3) 0.7179(3) 0.6306(3) 0.1339(18) Uani 1 1 d G . . . .
F5 F 0.1612(4) 0.7315(6) 0.5876(5) 0.1339(18) Uani 1 1 d G . . . .
F6 F 0.2809(4) 0.8104(5) 0.6846(5) 0.1339(18) Uani 1 1 d G . . . .
F7 F 0.2650(4) 0.6172(5) 0.6774(5) 0.1339(18) Uani 1 1 d G . . . .
F8 F 0.2755(4) 0.7127(6) 0.5727(4) 0.1339(18) Uani 1 1 d G . . . .
C10 C 0.4540(9) 0.3140(15) 0.8911(9) 0.043(4) Uiso 0.575(18) 1 d . . P B 1
C13 C 0.4965(11) 0.4197(17) 0.8987(12) 0.086(6) Uiso 0.575(18) 1 d . . P B 1
H13A H 0.5507 0.4041 0.9113 0.129 Uiso 0.575(18) 1 calc R U P B 1
H13B H 0.4704 0.4602 0.8476 0.129 Uiso 0.575(18) 1 calc R U P B 1
H13C H 0.4963 0.4638 0.9422 0.129 Uiso 0.575(18) 1 calc R U P B 1
C14 C 0.4913(10) 0.2381(13) 0.9648(10) 0.056(4) Uiso 0.575(18) 1 d . . P B 1
H14A H 0.5464 0.2258 0.9796 0.084 Uiso 0.575(18) 1 calc R U P B 1
H14B H 0.4878 0.2722 1.0103 0.084 Uiso 0.575(18) 1 calc R U P B 1
H14C H 0.4635 0.1679 0.9517 0.084 Uiso 0.575(18) 1 calc R U P B 1
C10' C 0.4454(10) 0.2625(18) 0.9021(11) 0.049(5) Uiso 0.425(18) 1 d . . P B 2
C13' C 0.5080(17) 0.349(3) 0.9451(18) 0.092(9) Uiso 0.425(18) 1 d . . P B 2
H13D H 0.4995 0.4107 0.9083 0.138 Uiso 0.425(18) 1 calc R U P B 2
H13E H 0.5052 0.3750 0.9930 0.138 Uiso 0.425(18) 1 calc R U P B 2
H13F H 0.5598 0.3172 0.9615 0.138 Uiso 0.425(18) 1 calc R U P B 2
C14' C 0.4575(15) 0.168(2) 0.9570(14) 0.081(7) Uiso 0.425(18) 1 d . . P B 2
H14D H 0.5079 0.1336 0.9711 0.121 Uiso 0.425(18) 1 calc R U P B 2
H14E H 0.4573 0.1946 1.0063 0.121 Uiso 0.425(18) 1 calc R U P B 2
H14F H 0.4153 0.1150 0.9297 0.121 Uiso 0.425(18) 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 C2 2.180(11) . ?
Rh1 C4 2.183(9) . ?
Rh1 C5 2.185(9) . ?
Rh1 C1 2.189(9) . ?
Rh1 P1 2.301(3) . ?
Rh1 P2 2.316(3) . ?
Rh2 C55 2.180(11) . ?
Rh2 C54 2.214(8) . ?
Rh2 C52 2.229(8) . ?
Rh2 C51 2.232(10) . ?
Rh2 P4 2.293(3) . ?
Rh2 P3 2.324(3) . ?
P1 C21 1.808(11) . ?
P1 C15 1.833(10) . ?
P1 C8 1.834(9) . ?
P2 C33 1.818(11) . ?
P2 C27 1.821(10) . ?
P2 C12 1.837(10) . ?
P3 C71 1.823(10) . ?
P3 C65 1.832(12) . ?
P3 C58 1.846(10) . ?
P4 C83 1.814(12) . ?
P4 C77 1.827(10) . ?
P4 C62 1.841(9) . ?
O1 C9 1.425(8) . ?
O1 C10 1.450(15) . ?
O1 C10' 1.477(18) . ?
O2 C11 1.423(9) . ?
O2 C10 1.479(16) . ?
O2 C10' 1.489(18) . ?
O3 C60 1.421(10) . ?
O3 C59 1.437(9) . ?
O4 C60 1.421(9) . ?
O4 C61 1.440(7) . ?
C1 C2 1.316(16) . ?
C1 C6 1.576(13) . ?
C1 H1A 0.9800 . ?
C2 C3 1.564(15) . ?
C2 H2A 0.9800 . ?
C3 C4 1.547(15) . ?
C3 C7 1.551(14) . ?
C3 H3A 0.9800 . ?
C4 C5 1.361(15) . ?
C4 H4A 0.9800 . ?
C5 C6 1.489(13) . ?
C5 H5A 0.9800 . ?
C6 C7 1.499(16) . ?
C6 H6A 0.9800 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.555(11) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C11 1.504(11) . ?
C9 H9A 0.9800 . ?
C11 C12 1.531(12) . ?
C11 H11A 0.9800 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C15 C16 1.405(16) . ?
C15 C20 1.413(14) . ?
C16 C17 1.387(15) . ?
C16 H16A 0.9300 . ?
C17 C18 1.35(2) . ?
C17 H17A 0.9300 . ?
C18 C19 1.346(19) . ?
C18 H18A 0.9300 . ?
C19 C20 1.364(14) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C22 1.411(14) . ?
C21 C26 1.419(13) . ?
C22 C23 1.366(16) . ?
C22 H22A 0.9300 . ?
C23 C24 1.365(14) . ?
C23 H23A 0.9300 . ?
C24 C25 1.361(14) . ?
C24 H24A 0.9300 . ?
C25 C26 1.361(16) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C32 1.384(12) . ?
C27 C28 1.413(13) . ?
C28 C29 1.388(15) . ?
C28 H28A 0.9300 . ?
C29 C30 1.38(2) . ?
C29 H29A 0.9300 . ?
C30 C31 1.378(17) . ?
C30 H30A 0.9300 . ?
C31 C32 1.378(14) . ?
C31 H31A 0.9300 . ?
C32 H32A 0.9300 . ?
C33 C34 1.364(16) . ?
C33 C38 1.438(17) . ?
C34 C35 1.366(16) . ?
C34 H34A 0.9300 . ?
C35 C36 1.43(2) . ?
C35 H35A 0.9300 . ?
C36 C37 1.28(2) . ?
C36 H36A 0.9300 . ?
C37 C38 1.397(16) . ?
C37 H37A 0.9300 . ?
C38 H38A 0.9300 . ?
C51 C52 1.416(16) . ?
C51 C56 1.499(14) . ?
C51 H51A 0.9800 . ?
C52 C53 1.504(13) . ?
C52 H52A 0.9800 . ?
C53 C57 1.558(15) . ?
C53 C54 1.570(13) . ?
C53 H53A 0.9800 . ?
C54 C55 1.384(16) . ?
C54 H54A 0.9800 . ?
C55 C56 1.511(15) . ?
C55 H55A 0.9800 . ?
C56 C57 1.516(14) . ?
C56 H56A 0.9800 . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 C59 1.503(12) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C61 1.523(10) . ?
C59 H59A 0.9800 . ?
C60 C64 1.513(12) . ?
C60 C63 1.523(10) . ?
C61 C62 1.481(11) . ?
C61 H61A 0.9800 . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 C70 1.362(16) . ?
C65 C66 1.369(13) . ?
C66 C67 1.392(16) . ?
C66 H66A 0.9300 . ?
C67 C68 1.37(2) . ?
C67 H67A 0.9300 . ?
C68 C69 1.368(18) . ?
C68 H68A 0.9300 . ?
C69 C70 1.408(16) . ?
C69 H69A 0.9300 . ?
C70 H70A 0.9300 . ?
C71 C72 1.343(17) . ?
C71 C76 1.409(18) . ?
C72 C73 1.407(17) . ?
C72 H72A 0.9300 . ?
C73 C74 1.47(2) . ?
C73 H73A 0.9300 . ?
C74 C75 1.33(2) . ?
C74 H74A 0.9300 . ?
C75 C76 1.388(18) . ?
C75 H75A 0.9300 . ?
C76 H76A 0.9300 . ?
C77 C78 1.353(15) . ?
C77 C82 1.369(16) . ?
C78 C79 1.414(15) . ?
C78 H78A 0.9300 . ?
C79 C80 1.35(2) . ?
C79 H79A 0.9300 . ?
C80 C81 1.41(2) . ?
C80 H80A 0.9300 . ?
C81 C82 1.400(16) . ?
C81 H81A 0.9300 . ?
C82 H82A 0.9300 . ?
C83 C84 1.371(15) . ?
C83 C88 1.381(13) . ?
C84 C85 1.404(17) . ?
C84 H84A 0.9300 . ?
C85 C86 1.396(15) . ?
C85 H85A 0.9300 . ?
C86 C87 1.375(16) . ?
C86 H86A 0.9300 . ?
C87 C88 1.405(17) . ?
C87 H87A 0.9300 . ?
C88 H88A 0.9300 . ?
B1 F2 1.314(7) . ?
B1 F1' 1.316(7) . ?
B1 F3 1.360(7) . ?
B1 F4' 1.365(7) . ?
B1 F3' 1.379(7) . ?
B1 F1 1.397(7) . ?
B1 F4 1.403(7) . ?
B1 F2' 1.424(7) . ?
B2 F5 1.424(4) . ?
B2 F7 1.424(4) . ?
B2 F8 1.424(4) . ?
B2 F6 1.424(4) . ?
C10 C13 1.47(3) . ?
C10 C14 1.50(2) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C10' C14' 1.45(3) . ?
C10' C13' 1.49(4) . ?
C13' H13D 0.9600 . ?
C13' H13E 0.9600 . ?
C13' H13F 0.9600 . ?
C14' H14D 0.9600 . ?
C14' H14E 0.9600 . ?
C14' H14F 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Rh1 C4 67.2(4) . . ?
C2 Rh1 C5 78.1(4) . . ?
C4 Rh1 C5 36.3(4) . . ?
C2 Rh1 C1 35.1(4) . . ?
C4 Rh1 C1 77.3(4) . . ?
C5 Rh1 C1 65.5(4) . . ?
C2 Rh1 P1 162.8(3) . . ?
C4 Rh1 P1 97.9(3) . . ?
C5 Rh1 P1 95.2(3) . . ?
C1 Rh1 P1 153.8(3) . . ?
C2 Rh1 P2 95.2(3) . . ?
C4 Rh1 P2 156.3(3) . . ?
C5 Rh1 P2 159.2(3) . . ?
C1 Rh1 P2 97.7(3) . . ?
P1 Rh1 P2 96.25(9) . . ?
C55 Rh2 C54 36.7(4) . . ?
C55 Rh2 C52 77.0(4) . . ?
C54 Rh2 C52 65.0(3) . . ?
C55 Rh2 C51 64.4(4) . . ?
C54 Rh2 C51 76.7(4) . . ?
C52 Rh2 C51 37.0(4) . . ?
C55 Rh2 P4 99.6(3) . . ?
C54 Rh2 P4 94.4(3) . . ?
C52 Rh2 P4 150.2(3) . . ?
C51 Rh2 P4 162.8(3) . . ?
C55 Rh2 P3 156.4(3) . . ?
C54 Rh2 P3 159.6(3) . . ?
C52 Rh2 P3 98.9(3) . . ?
C51 Rh2 P3 98.1(3) . . ?
P4 Rh2 P3 95.10(10) . . ?
C21 P1 C15 102.8(5) . . ?
C21 P1 C8 105.0(5) . . ?
C15 P1 C8 99.7(4) . . ?
C21 P1 Rh1 114.1(3) . . ?
C15 P1 Rh1 114.5(3) . . ?
C8 P1 Rh1 118.5(3) . . ?
C33 P2 C27 104.9(5) . . ?
C33 P2 C12 106.8(5) . . ?
C27 P2 C12 101.3(4) . . ?
C33 P2 Rh1 108.7(3) . . ?
C27 P2 Rh1 113.5(3) . . ?
C12 P2 Rh1 120.4(3) . . ?
C71 P3 C65 106.3(5) . . ?
C71 P3 C58 102.1(5) . . ?
C65 P3 C58 102.8(5) . . ?
C71 P3 Rh2 109.4(3) . . ?
C65 P3 Rh2 115.1(4) . . ?
C58 P3 Rh2 119.7(3) . . ?
C83 P4 C77 105.4(5) . . ?
C83 P4 C62 103.7(5) . . ?
C77 P4 C62 103.1(4) . . ?
C83 P4 Rh2 112.2(3) . . ?
C77 P4 Rh2 113.9(3) . . ?
C62 P4 Rh2 117.3(4) . . ?
C9 O1 C10 108.5(7) . . ?
C9 O1 C10' 104.2(8) . . ?
C11 O2 C10 101.8(8) . . ?
C11 O2 C10' 110.0(9) . . ?
C60 O3 C59 109.4(6) . . ?
C60 O4 C61 106.7(5) . . ?
C2 C1 C6 106.3(9) . . ?
C2 C1 Rh1 72.1(6) . . ?
C6 C1 Rh1 95.3(6) . . ?
C2 C1 H1A 123.3 . . ?
C6 C1 H1A 123.3 . . ?
Rh1 C1 H1A 123.3 . . ?
C1 C2 C3 106.1(8) . . ?
C1 C2 Rh1 72.9(6) . . ?
C3 C2 Rh1 95.0(7) . . ?
C1 C2 H2A 123.3 . . ?
C3 C2 H2A 123.3 . . ?
Rh1 C2 H2A 123.3 . . ?
C4 C3 C7 97.7(8) . . ?
C4 C3 C2 101.9(9) . . ?
C7 C3 C2 101.8(9) . . ?
C4 C3 H3A 117.4 . . ?
C7 C3 H3A 117.4 . . ?
C2 C3 H3A 117.4 . . ?
C5 C4 C3 106.9(9) . . ?
C5 C4 Rh1 71.9(6) . . ?
C3 C4 Rh1 95.4(6) . . ?
C5 C4 H4A 123.1 . . ?
C3 C4 H4A 123.1 . . ?
Rh1 C4 H4A 123.1 . . ?
C4 C5 C6 104.7(9) . . ?
C4 C5 Rh1 71.8(5) . . ?
C6 C5 Rh1 98.1(6) . . ?
C4 C5 H5A 123.2 . . ?
C6 C5 H5A 123.2 . . ?
Rh1 C5 H5A 123.2 . . ?
C5 C6 C7 103.6(9) . . ?
C5 C6 C1 101.0(7) . . ?
C7 C6 C1 102.5(9) . . ?
C5 C6 H6A 115.9 . . ?
C7 C6 H6A 115.9 . . ?
C1 C6 H6A 115.9 . . ?
C6 C7 C3 91.8(8) . . ?
C6 C7 H7A 113.3 . . ?
C3 C7 H7A 113.3 . . ?
C6 C7 H7B 113.3 . . ?
C3 C7 H7B 113.3 . . ?
H7A C7 H7B 110.6 . . ?
C9 C8 P1 114.1(6) . . ?
C9 C8 H8A 108.7 . . ?
P1 C8 H8A 108.7 . . ?
C9 C8 H8B 108.7 . . ?
P1 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
O1 C9 C11 102.6(5) . . ?
O1 C9 C8 105.9(6) . . ?
C11 C9 C8 118.5(7) . . ?
O1 C9 H9A 109.7 . . ?
C11 C9 H9A 109.7 . . ?
C8 C9 H9A 109.7 . . ?
O2 C11 C9 101.6(6) . . ?
O2 C11 C12 108.6(7) . . ?
C9 C11 C12 116.9(7) . . ?
O2 C11 H11A 109.8 . . ?
C9 C11 H11A 109.8 . . ?
C12 C11 H11A 109.8 . . ?
C11 C12 P2 109.2(6) . . ?
C11 C12 H12A 109.8 . . ?
P2 C12 H12A 109.8 . . ?
C11 C12 H12B 109.8 . . ?
P2 C12 H12B 109.8 . . ?
H12A C12 H12B 108.3 . . ?
C16 C15 C20 119.6(10) . . ?
C16 C15 P1 118.7(9) . . ?
C20 C15 P1 121.6(8) . . ?
C17 C16 C15 117.0(14) . . ?
C17 C16 H16A 121.5 . . ?
C15 C16 H16A 121.5 . . ?
C18 C17 C16 124.3(14) . . ?
C18 C17 H17A 117.9 . . ?
C16 C17 H17A 117.9 . . ?
C19 C18 C17 116.6(12) . . ?
C19 C18 H18A 121.7 . . ?
C17 C18 H18A 121.7 . . ?
C18 C19 C20 124.7(13) . . ?
C18 C19 H19A 117.7 . . ?
C20 C19 H19A 117.7 . . ?
C19 C20 C15 117.6(11) . . ?
C19 C20 H20A 121.2 . . ?
C15 C20 H20A 121.2 . . ?
C22 C21 C26 117.7(10) . . ?
C22 C21 P1 122.5(8) . . ?
C26 C21 P1 119.7(8) . . ?
C23 C22 C21 119.9(10) . . ?
C23 C22 H22A 120.1 . . ?
C21 C22 H22A 120.1 . . ?
C24 C23 C22 122.0(11) . . ?
C24 C23 H23A 119.0 . . ?
C22 C23 H23A 119.0 . . ?
C25 C24 C23 118.2(10) . . ?
C25 C24 H24A 120.9 . . ?
C23 C24 H24A 120.9 . . ?
C26 C25 C24 123.3(11) . . ?
C26 C25 H25A 118.3 . . ?
C24 C25 H25A 118.3 . . ?
C25 C26 C21 118.7(10) . . ?
C25 C26 H26A 120.6 . . ?
C21 C26 H26A 120.6 . . ?
C32 C27 C28 120.7(10) . . ?
C32 C27 P2 118.9(8) . . ?
C28 C27 P2 118.1(8) . . ?
C29 C28 C27 117.3(11) . . ?
C29 C28 H28A 121.4 . . ?
C27 C28 H28A 121.4 . . ?
C30 C29 C28 122.0(11) . . ?
C30 C29 H29A 119.0 . . ?
C28 C29 H29A 119.0 . . ?
C29 C30 C31 119.6(10) . . ?
C29 C30 H30A 120.2 . . ?
C31 C30 H30A 120.2 . . ?
C30 C31 C32 120.5(11) . . ?
C30 C31 H31A 119.8 . . ?
C32 C31 H31A 119.8 . . ?
C31 C32 C27 119.8(11) . . ?
C31 C32 H32A 120.1 . . ?
C27 C32 H32A 120.1 . . ?
C34 C33 C38 120.7(11) . . ?
C34 C33 P2 122.4(9) . . ?
C38 C33 P2 116.8(9) . . ?
C33 C34 C35 120.1(14) . . ?
C33 C34 H34A 119.9 . . ?
C35 C34 H34A 119.9 . . ?
C34 C35 C36 120.3(14) . . ?
C34 C35 H35A 119.9 . . ?
C36 C35 H35A 119.9 . . ?
C37 C36 C35 117.5(12) . . ?
C37 C36 H36A 121.3 . . ?
C35 C36 H36A 121.3 . . ?
C36 C37 C38 127.1(15) . . ?
C36 C37 H37A 116.4 . . ?
C38 C37 H37A 116.4 . . ?
C37 C38 C33 113.9(13) . . ?
C37 C38 H38A 123.1 . . ?
C33 C38 H38A 123.1 . . ?
C52 C51 C56 106.4(8) . . ?
C52 C51 Rh2 71.4(6) . . ?
C56 C51 Rh2 95.4(6) . . ?
C52 C51 H51A 123.3 . . ?
C56 C51 H51A 123.3 . . ?
Rh2 C51 H51A 123.3 . . ?
C51 C52 C53 106.7(9) . . ?
C51 C52 Rh2 71.6(5) . . ?
C53 C52 Rh2 97.0(6) . . ?
C51 C52 H52A 122.9 . . ?
C53 C52 H52A 122.9 . . ?
Rh2 C52 H52A 122.9 . . ?
C52 C53 C57 98.7(9) . . ?
C52 C53 C54 102.0(7) . . ?
C57 C53 C54 97.7(8) . . ?
C52 C53 H53A 118.2 . . ?
C57 C53 H53A 118.2 . . ?
C54 C53 H53A 118.2 . . ?
C55 C54 C53 106.9(9) . . ?
C55 C54 Rh2 70.3(5) . . ?
C53 C54 Rh2 95.6(5) . . ?
C55 C54 H54A 123.3 . . ?
C53 C54 H54A 123.3 . . ?
Rh2 C54 H54A 123.3 . . ?
C54 C55 C56 106.6(9) . . ?
C54 C55 Rh2 73.0(6) . . ?
C56 C55 Rh2 97.2(6) . . ?
C54 C55 H55A 122.6 . . ?
C56 C55 H55A 122.6 . . ?
Rh2 C55 H55A 122.6 . . ?
C51 C56 C55 102.8(9) . . ?
C51 C56 C57 99.2(8) . . ?
C55 C56 C57 101.9(8) . . ?
C51 C56 H56A 116.8 . . ?
C55 C56 H56A 116.7 . . ?
C57 C56 H56A 116.7 . . ?
C56 C57 C53 95.4(8) . . ?
C56 C57 H57A 112.7 . . ?
C53 C57 H57A 112.7 . . ?
C56 C57 H57B 112.7 . . ?
C53 C57 H57B 112.7 . . ?
H57A C57 H57B 110.2 . . ?
C59 C58 P3 117.9(7) . . ?
C59 C58 H58A 107.8 . . ?
P3 C58 H58A 107.8 . . ?
C59 C58 H58B 107.8 . . ?
P3 C58 H58B 107.8 . . ?
H58A C58 H58B 107.2 . . ?
O3 C59 C58 108.4(7) . . ?
O3 C59 C61 99.9(6) . . ?
C58 C59 C61 120.4(7) . . ?
O3 C59 H59A 109.1 . . ?
C58 C59 H59A 109.1 . . ?
C61 C59 H59A 109.1 . . ?
O3 C60 O4 105.8(5) . . ?
O3 C60 C64 109.0(7) . . ?
O4 C60 C64 110.5(7) . . ?
O3 C60 C63 112.1(7) . . ?
O4 C60 C63 108.5(7) . . ?
C64 C60 C63 110.8(6) . . ?
O4 C61 C62 106.6(6) . . ?
O4 C61 C59 101.5(5) . . ?
C62 C61 C59 117.6(7) . . ?
O4 C61 H61A 110.2 . . ?
C62 C61 H61A 110.2 . . ?
C59 C61 H61A 110.2 . . ?
C61 C62 P4 115.4(6) . . ?
C61 C62 H62A 108.4 . . ?
P4 C62 H62A 108.4 . . ?
C61 C62 H62B 108.4 . . ?
P4 C62 H62B 108.4 . . ?
H62A C62 H62B 107.5 . . ?
C60 C63 H63A 109.5 . . ?
C60 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C60 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C60 C64 H64A 109.5 . . ?
C60 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C60 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C70 C65 C66 118.4(11) . . ?
C70 C65 P3 119.2(8) . . ?
C66 C65 P3 122.4(9) . . ?
C65 C66 C67 122.2(11) . . ?
C65 C66 H66A 118.9 . . ?
C67 C66 H66A 118.9 . . ?
C68 C67 C66 117.9(12) . . ?
C68 C67 H67A 121.0 . . ?
C66 C67 H67A 121.0 . . ?
C69 C68 C67 121.8(14) . . ?
C69 C68 H68A 119.1 . . ?
C67 C68 H68A 119.1 . . ?
C68 C69 C70 118.3(13) . . ?
C68 C69 H69A 120.8 . . ?
C70 C69 H69A 120.8 . . ?
C65 C70 C69 120.9(12) . . ?
C65 C70 H70A 119.5 . . ?
C69 C70 H70A 119.5 . . ?
C72 C71 C76 118.8(11) . . ?
C72 C71 P3 123.0(10) . . ?
C76 C71 P3 117.1(10) . . ?
C71 C72 C73 123.1(14) . . ?
C71 C72 H72A 118.4 . . ?
C73 C72 H72A 118.4 . . ?
C72 C73 C74 115.3(15) . . ?
C72 C73 H73A 122.3 . . ?
C74 C73 H73A 122.3 . . ?
C75 C74 C73 121.5(14) . . ?
C75 C74 H74A 119.3 . . ?
C73 C74 H74A 119.3 . . ?
C74 C75 C76 120.2(17) . . ?
C74 C75 H75A 119.9 . . ?
C76 C75 H75A 119.9 . . ?
C75 C76 C71 120.8(15) . . ?
C75 C76 H76A 119.6 . . ?
C71 C76 H76A 119.6 . . ?
C78 C77 C82 118.0(11) . . ?
C78 C77 P4 120.7(9) . . ?
C82 C77 P4 121.3(10) . . ?
C77 C78 C79 123.1(13) . . ?
C77 C78 H78A 118.5 . . ?
C79 C78 H78A 118.5 . . ?
C80 C79 C78 116.4(14) . . ?
C80 C79 H79A 121.8 . . ?
C78 C79 H79A 121.8 . . ?
C79 C80 C81 124.1(13) . . ?
C79 C80 H80A 117.9 . . ?
C81 C80 H80A 117.9 . . ?
C82 C81 C80 115.4(12) . . ?
C82 C81 H81A 122.3 . . ?
C80 C81 H81A 122.3 . . ?
C77 C82 C81 123.0(13) . . ?
C77 C82 H82A 118.5 . . ?
C81 C82 H82A 118.5 . . ?
C84 C83 C88 118.6(11) . . ?
C84 C83 P4 122.4(8) . . ?
C88 C83 P4 119.0(8) . . ?
C83 C84 C85 121.7(11) . . ?
C83 C84 H84A 119.1 . . ?
C85 C84 H84A 119.1 . . ?
C86 C85 C84 117.8(11) . . ?
C86 C85 H85A 121.1 . . ?
C84 C85 H85A 121.1 . . ?
C87 C86 C85 122.1(12) . . ?
C87 C86 H86A 119.0 . . ?
C85 C86 H86A 119.0 . . ?
C86 C87 C88 117.7(10) . . ?
C86 C87 H87A 121.2 . . ?
C88 C87 H87A 121.2 . . ?
C83 C88 C87 122.0(11) . . ?
C83 C88 H88A 119.0 . . ?
C87 C88 H88A 119.0 . . ?
F2 B1 F3 112.8(6) . . ?
F1' B1 F4' 114.1(6) . . ?
F1' B1 F3' 114.8(6) . . ?
F4' B1 F3' 107.7(6) . . ?
F2 B1 F1 112.1(6) . . ?
F3 B1 F1 109.5(6) . . ?
F2 B1 F4 110.5(6) . . ?
F3 B1 F4 107.0(6) . . ?
F1 B1 F4 104.6(6) . . ?
F1' B1 F2' 107.9(5) . . ?
F4' B1 F2' 106.5(6) . . ?
F3' B1 F2' 105.2(5) . . ?
F5 B2 F7 109.5 . . ?
F5 B2 F8 109.5 . . ?
F7 B2 F8 109.5 . . ?
F5 B2 F6 109.5 . . ?
F7 B2 F6 109.5 . . ?
F8 B2 F6 109.5 . . ?
O1 C10 C13 113.5(13) . . ?
O1 C10 O2 103.6(10) . . ?
C13 C10 O2 114.3(13) . . ?
O1 C10 C14 106.6(12) . . ?
C13 C10 C14 115.5(14) . . ?
O2 C10 C14 102.0(13) . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C14' C10' O1 119.1(16) . . ?
C14' C10' O2 117.6(16) . . ?
O1 C10' O2 101.8(11) . . ?
C14' C10' C13' 110.1(19) . . ?
O1 C10' C13' 101.8(17) . . ?
O2 C10' C13' 104.3(16) . . ?
C10' C13' H13D 109.5 . . ?
C10' C13' H13E 109.5 . . ?
H13D C13' H13E 109.5 . . ?
C10' C13' H13F 109.5 . . ?
H13D C13' H13F 109.5 . . ?
H13E C13' H13F 109.5 . . ?
C10' C14' H14D 109.5 . . ?
C10' C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
C10' C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 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
C6 C1 C2 C3 0.1(11) . . . . ?
Rh1 C1 C2 C3 -90.3(7) . . . . ?
C6 C1 C2 Rh1 90.4(6) . . . . ?
C1 C2 C3 C4 67.1(10) . . . . ?
Rh1 C2 C3 C4 -6.5(8) . . . . ?
C1 C2 C3 C7 -33.5(11) . . . . ?
Rh1 C2 C3 C7 -107.1(8) . . . . ?
C7 C3 C4 C5 37.7(10) . . . . ?
C2 C3 C4 C5 -66.2(9) . . . . ?
C7 C3 C4 Rh1 110.4(7) . . . . ?
C2 C3 C4 Rh1 6.5(8) . . . . ?
C3 C4 C5 C6 -3.7(10) . . . . ?
Rh1 C4 C5 C6 -93.9(7) . . . . ?
C3 C4 C5 Rh1 90.2(6) . . . . ?
C4 C5 C6 C7 -33.6(10) . . . . ?
Rh1 C5 C6 C7 -106.7(7) . . . . ?
C4 C5 C6 C1 72.3(10) . . . . ?
Rh1 C5 C6 C1 -0.8(8) . . . . ?
C2 C1 C6 C5 -72.0(10) . . . . ?
Rh1 C1 C6 C5 0.8(8) . . . . ?
C2 C1 C6 C7 34.7(10) . . . . ?
Rh1 C1 C6 C7 107.6(7) . . . . ?
C5 C6 C7 C3 54.1(9) . . . . ?
C1 C6 C7 C3 -50.7(9) . . . . ?
C4 C3 C7 C6 -53.1(9) . . . . ?
C2 C3 C7 C6 50.8(10) . . . . ?
C21 P1 C8 C9 47.2(8) . . . . ?
C15 P1 C8 C9 153.4(7) . . . . ?
Rh1 P1 C8 C9 -81.7(7) . . . . ?
C10 O1 C9 C11 -16.7(10) . . . . ?
C10' O1 C9 C11 -44.8(11) . . . . ?
C10 O1 C9 C8 -141.6(10) . . . . ?
C10' O1 C9 C8 -169.8(10) . . . . ?
P1 C8 C9 O1 -175.3(6) . . . . ?
P1 C8 C9 C11 70.3(9) . . . . ?
C10 O2 C11 C9 -46.5(10) . . . . ?
C10' O2 C11 C9 -19.7(12) . . . . ?
C10 O2 C11 C12 -170.3(9) . . . . ?
C10' O2 C11 C12 -143.6(11) . . . . ?
O1 C9 C11 O2 39.5(8) . . . . ?
C8 C9 C11 O2 155.7(7) . . . . ?
O1 C9 C11 C12 157.5(7) . . . . ?
C8 C9 C11 C12 -86.2(9) . . . . ?
O2 C11 C12 P2 -143.7(6) . . . . ?
C9 C11 C12 P2 102.2(7) . . . . ?
C33 P2 C12 C11 166.3(6) . . . . ?
C27 P2 C12 C11 56.8(7) . . . . ?
Rh1 P2 C12 C11 -69.3(7) . . . . ?
C21 P1 C15 C16 153.3(9) . . . . ?
C8 P1 C15 C16 45.3(9) . . . . ?
Rh1 P1 C15 C16 -82.4(9) . . . . ?
C21 P1 C15 C20 -30.4(9) . . . . ?
C8 P1 C15 C20 -138.4(8) . . . . ?
Rh1 P1 C15 C20 93.9(8) . . . . ?
C20 C15 C16 C17 2.0(16) . . . . ?
P1 C15 C16 C17 178.4(8) . . . . ?
C15 C16 C17 C18 -0.5(19) . . . . ?
C16 C17 C18 C19 -3.0(19) . . . . ?
C17 C18 C19 C20 5.3(18) . . . . ?
C18 C19 C20 C15 -3.9(16) . . . . ?
C16 C15 C20 C19 0.0(15) . . . . ?
P1 C15 C20 C19 -176.2(8) . . . . ?
C15 P1 C21 C22 -69.5(9) . . . . ?
C8 P1 C21 C22 34.4(9) . . . . ?
Rh1 P1 C21 C22 165.9(7) . . . . ?
C15 P1 C21 C26 114.3(8) . . . . ?
C8 P1 C21 C26 -141.8(8) . . . . ?
Rh1 P1 C21 C26 -10.4(9) . . . . ?
C26 C21 C22 C23 2.7(15) . . . . ?
P1 C21 C22 C23 -173.7(9) . . . . ?
C21 C22 C23 C24 -1.2(17) . . . . ?
C22 C23 C24 C25 0.6(16) . . . . ?
C23 C24 C25 C26 -1.5(17) . . . . ?
C24 C25 C26 C21 3.1(18) . . . . ?
C22 C21 C26 C25 -3.6(15) . . . . ?
P1 C21 C26 C25 172.9(9) . . . . ?
C33 P2 C27 C32 139.5(8) . . . . ?
C12 P2 C27 C32 -109.6(9) . . . . ?
Rh1 P2 C27 C32 21.0(9) . . . . ?
C33 P2 C27 C28 -57.6(8) . . . . ?
C12 P2 C27 C28 53.3(8) . . . . ?
Rh1 P2 C27 C28 -176.1(6) . . . . ?
C32 C27 C28 C29 -2.2(15) . . . . ?
P2 C27 C28 C29 -164.8(8) . . . . ?
C27 C28 C29 C30 0.6(17) . . . . ?
C28 C29 C30 C31 -1.1(19) . . . . ?
C29 C30 C31 C32 3.0(18) . . . . ?
C30 C31 C32 C27 -4.6(17) . . . . ?
C28 C27 C32 C31 4.2(16) . . . . ?
P2 C27 C32 C31 166.7(8) . . . . ?
C27 P2 C33 C34 -34.9(10) . . . . ?
C12 P2 C33 C34 -141.9(9) . . . . ?
Rh1 P2 C33 C34 86.8(9) . . . . ?
C27 P2 C33 C38 149.3(8) . . . . ?
C12 P2 C33 C38 42.3(9) . . . . ?
Rh1 P2 C33 C38 -89.0(8) . . . . ?
C38 C33 C34 C35 1.6(16) . . . . ?
P2 C33 C34 C35 -174.1(8) . . . . ?
C33 C34 C35 C36 2.7(17) . . . . ?
C34 C35 C36 C37 -1.9(19) . . . . ?
C35 C36 C37 C38 -4(2) . . . . ?
C36 C37 C38 C33 8(2) . . . . ?
C34 C33 C38 C37 -6.2(15) . . . . ?
P2 C33 C38 C37 169.7(8) . . . . ?
C56 C51 C52 C53 -1.7(10) . . . . ?
Rh2 C51 C52 C53 -92.0(6) . . . . ?
C56 C51 C52 Rh2 90.2(7) . . . . ?
C51 C52 C53 C57 -32.1(9) . . . . ?
Rh2 C52 C53 C57 -105.0(7) . . . . ?
C51 C52 C53 C54 67.6(10) . . . . ?
Rh2 C52 C53 C54 -5.2(9) . . . . ?
C52 C53 C54 C55 -65.8(10) . . . . ?
C57 C53 C54 C55 34.7(9) . . . . ?
C52 C53 C54 Rh2 5.2(9) . . . . ?
C57 C53 C54 Rh2 105.8(7) . . . . ?
C53 C54 C55 C56 -2.6(10) . . . . ?
Rh2 C54 C55 C56 -92.6(7) . . . . ?
C53 C54 C55 Rh2 90.0(6) . . . . ?
C52 C51 C56 C55 -68.5(9) . . . . ?
Rh2 C51 C56 C55 3.7(8) . . . . ?
C52 C51 C56 C57 36.1(10) . . . . ?
Rh2 C51 C56 C57 108.2(7) . . . . ?
C54 C55 C56 C51 70.6(9) . . . . ?
Rh2 C55 C56 C51 -3.8(8) . . . . ?
C54 C55 C56 C57 -31.9(10) . . . . ?
Rh2 C55 C56 C57 -106.2(7) . . . . ?
C51 C56 C57 C53 -53.6(9) . . . . ?
C55 C56 C57 C53 51.7(9) . . . . ?
C52 C53 C57 C56 52.3(8) . . . . ?
C54 C53 C57 C56 -51.1(8) . . . . ?
C71 P3 C58 C59 -173.7(7) . . . . ?
C65 P3 C58 C59 -63.7(8) . . . . ?
Rh2 P3 C58 C59 65.4(8) . . . . ?
C60 O3 C59 C58 -156.5(7) . . . . ?
C60 O3 C59 C61 -29.7(8) . . . . ?
P3 C58 C59 O3 99.8(8) . . . . ?
P3 C58 C59 C61 -14.2(11) . . . . ?
C59 O3 C60 O4 8.3(9) . . . . ?
C59 O3 C60 C64 127.1(7) . . . . ?
C59 O3 C60 C63 -109.8(8) . . . . ?
C61 O4 C60 O3 18.6(9) . . . . ?
C61 O4 C60 C64 -99.2(7) . . . . ?
C61 O4 C60 C63 139.1(7) . . . . ?
C60 O4 C61 C62 -160.0(7) . . . . ?
C60 O4 C61 C59 -36.4(8) . . . . ?
O3 C59 C61 O4 39.4(8) . . . . ?
C58 C59 C61 O4 157.7(7) . . . . ?
O3 C59 C61 C62 155.2(7) . . . . ?
C58 C59 C61 C62 -86.6(10) . . . . ?
O4 C61 C62 P4 177.7(7) . . . . ?
C59 C61 C62 P4 64.7(10) . . . . ?
C83 P4 C62 C61 -87.2(9) . . . . ?
C77 P4 C62 C61 163.1(8) . . . . ?
Rh2 P4 C62 C61 37.1(10) . . . . ?
C71 P3 C65 C70 -126.9(9) . . . . ?
C58 P3 C65 C70 126.2(9) . . . . ?
Rh2 P3 C65 C70 -5.6(10) . . . . ?
C71 P3 C65 C66 53.5(9) . . . . ?
C58 P3 C65 C66 -53.4(9) . . . . ?
Rh2 P3 C65 C66 174.7(7) . . . . ?
C70 C65 C66 C67 -4.2(16) . . . . ?
P3 C65 C66 C67 175.4(8) . . . . ?
C65 C66 C67 C68 0.7(17) . . . . ?
C66 C67 C68 C69 -1(2) . . . . ?
C67 C68 C69 C70 4(2) . . . . ?
C66 C65 C70 C69 7.8(17) . . . . ?
P3 C65 C70 C69 -171.8(8) . . . . ?
C68 C69 C70 C65 -8.0(18) . . . . ?
C65 P3 C71 C72 -150.6(9) . . . . ?
C58 P3 C71 C72 -43.3(10) . . . . ?
Rh2 P3 C71 C72 84.5(10) . . . . ?
C65 P3 C71 C76 41.7(9) . . . . ?
C58 P3 C71 C76 149.1(8) . . . . ?
Rh2 P3 C71 C76 -83.2(8) . . . . ?
C76 C71 C72 C73 -5.6(18) . . . . ?
P3 C71 C72 C73 -173.1(11) . . . . ?
C71 C72 C73 C74 6(2) . . . . ?
C72 C73 C74 C75 -2(2) . . . . ?
C73 C74 C75 C76 -2(2) . . . . ?
C74 C75 C76 C71 3(2) . . . . ?
C72 C71 C76 C75 1.3(17) . . . . ?
P3 C71 C76 C75 169.5(10) . . . . ?
C83 P4 C77 C78 23.6(10) . . . . ?
C62 P4 C77 C78 132.1(9) . . . . ?
Rh2 P4 C77 C78 -99.8(9) . . . . ?
C83 P4 C77 C82 -158.1(9) . . . . ?
C62 P4 C77 C82 -49.6(11) . . . . ?
Rh2 P4 C77 C82 78.5(9) . . . . ?
C82 C77 C78 C79 0.8(17) . . . . ?
P4 C77 C78 C79 179.1(8) . . . . ?
C77 C78 C79 C80 -1.8(17) . . . . ?
C78 C79 C80 C81 2(2) . . . . ?
C79 C80 C81 C82 -2(2) . . . . ?
C78 C77 C82 C81 -0.2(18) . . . . ?
P4 C77 C82 C81 -178.5(9) . . . . ?
C80 C81 C82 C77 0.6(18) . . . . ?
C77 P4 C83 C84 74.5(9) . . . . ?
C62 P4 C83 C84 -33.5(10) . . . . ?
Rh2 P4 C83 C84 -161.0(8) . . . . ?
C77 P4 C83 C88 -106.1(8) . . . . ?
C62 P4 C83 C88 146.0(8) . . . . ?
Rh2 P4 C83 C88 18.4(9) . . . . ?
C88 C83 C84 C85 -1.2(16) . . . . ?
P4 C83 C84 C85 178.2(9) . . . . ?
C83 C84 C85 C86 0.1(17) . . . . ?
C84 C85 C86 C87 2.1(16) . . . . ?
C85 C86 C87 C88 -3.0(16) . . . . ?
C84 C83 C88 C87 0.2(16) . . . . ?
P4 C83 C88 C87 -179.3(8) . . . . ?
C86 C87 C88 C83 1.9(16) . . . . ?
C9 O1 C10 C13 113.2(13) . . . . ?
C9 O1 C10 O2 -11.3(13) . . . . ?
C9 O1 C10 C14 -118.5(11) . . . . ?
C11 O2 C10 O1 36.3(12) . . . . ?
C11 O2 C10 C13 -87.7(14) . . . . ?
C11 O2 C10 C14 147.0(11) . . . . ?
C9 O1 C10' C14' -99.4(17) . . . . ?
C9 O1 C10' O2 31.7(14) . . . . ?
C9 O1 C10' C13' 139.3(14) . . . . ?
C11 O2 C10' C14' 125.7(16) . . . . ?
C11 O2 C10' O1 -6.4(15) . . . . ?
C11 O2 C10' C13' -112.0(16) . . . . ?

_refine_diff_density_max         1.170
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.065




_chemical_properties_physical    Air-sensitive,Moisture-sensitive
