# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_JRMS22_a
_database_code_depnum_ccdc_archive 'CCDC 1987739'
loop_
_audit_author_name
_audit_author_address
'Chunhui Zhou'
;KAUST
Saudi Arabia
;
_audit_update_record             
;
2020-03-03 deposited with the CCDC.	2020-04-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H74 N6 O4 P4 Rh2'
_chemical_formula_weight         1080.79

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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   10.812(6)
_cell_length_b                   16.839(11)
_cell_length_c                   17.119(12)
_cell_angle_alpha                117.98(3)
_cell_angle_beta                 100.64(3)
_cell_angle_gamma                96.97(3)
_cell_volume                     2626(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6058
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      25.37

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_F_000             1124
_exptl_transmission_factor_min   0.845
_exptl_transmission_factor_max   0.870
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.793
_shelx_estimated_absorpt_T_min   0.845
_shelx_estimated_absorpt_T_max   0.870
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   Sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30148
_diffrn_reflns_av_unetI/netI     0.1290
_diffrn_reflns_av_R_equivalents  0.1258
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.974
_diffrn_reflns_theta_max         25.473
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             9633
_reflns_number_gt                6962
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)] 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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.044(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         9633
_refine_ls_number_parameters     554
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2036
_refine_ls_R_factor_gt           0.1719
_refine_ls_wR_factor_ref         0.3405
_refine_ls_wR_factor_gt          0.3338
_refine_ls_goodness_of_fit_ref   2.715
_refine_ls_restrained_S_all      2.715
_refine_ls_shift/su_max          0.000
_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
Rh2 Rh 0.52212(13) 0.24513(10) 0.21986(9) 0.0275(5) Uani 1 1 d . . . . .
Rh1 Rh 0.50127(13) 0.25248(10) 0.75746(9) 0.0284(5) Uani 1 1 d . . . . .
P4 P 0.3212(4) 0.2604(3) 0.1695(3) 0.0295(11) Uani 1 1 d . . . . .
P1 P 0.3360(4) 0.2377(3) 0.6430(3) 0.0287(11) Uani 1 1 d . . . . .
P3 P 0.7010(10) 0.2464(4) 0.3150(6) 0.0228(17) Uani 0.85 1 d . . P . .
P2 P 0.7073(5) 0.2933(3) 0.8502(3) 0.0317(11) Uani 1 1 d . . . . .
N1 N 0.6007(13) 0.3182(9) 0.7055(8) 0.025(3) Uani 1 1 d . . . . .
O3 O 0.2500(12) 0.4429(10) 0.4401(9) 0.044(3) Uani 1 1 d . . . . .
N4 N 0.4782(13) 0.3142(9) 0.3429(9) 0.023(3) Uani 1 1 d . . . . .
O1 O 0.9244(13) 0.4300(10) 0.7308(9) 0.046(4) Uani 1 1 d . . . . .
N3 N 0.7987(14) 0.3512(11) 0.8116(11) 0.036(4) Uani 1 1 d . . . . .
O4 O 0.5860(16) 0.1413(11) 0.0414(10) 0.058(4) Uani 1 1 d . . . . .
N6A N 0.2771(14) 0.3231(11) 0.2678(10) 0.038(4) Uani 1 1 d . . . . .
N2 N 0.4117(14) 0.2921(10) 0.5953(10) 0.033(3) Uani 1 1 d . . . . .
C2 C 0.6037(18) 0.3715(13) 0.5920(12) 0.032(4) Uani 1 1 d . . . . .
N5 N 0.6660(15) 0.3008(9) 0.4238(8) 0.031(4) Uani 1 1 d . . . . .
C23 C 0.5266(17) 0.3721(12) 0.5105(11) 0.028(4) Uani 1 1 d . . . . .
C22 C 0.5601(16) 0.3275(11) 0.4210(11) 0.023(4) Uani 1 1 d . . . . .
C24 C 0.4223(18) 0.4095(12) 0.5164(11) 0.033(4) Uani 1 1 d . . . . .
H24 H 0.403455 0.440950 0.573969 0.039 Uiso 1 1 calc R U . . .
C26 C 0.3672(16) 0.3450(11) 0.3425(12) 0.027(4) Uani 1 1 d . . . . .
C4 C 0.8066(18) 0.3990(13) 0.7013(12) 0.035(4) Uani 1 1 d . . . . .
C5 C 0.7338(15) 0.3543(12) 0.7430(11) 0.026(4) Uani 1 1 d . . . . .
C25 C 0.3365(17) 0.4012(12) 0.4322(12) 0.030(4) Uani 1 1 d . . . . .
C1 C 0.5340(19) 0.3262(12) 0.6322(12) 0.033(4) Uani 1 1 d . . . . .
C43 C 0.4158(17) 0.1919(12) 0.8046(12) 0.028(4) Uiso 1 1 d . . . . .
O2 O 0.3526(17) 0.1530(10) 0.8287(11) 0.065(5) Uani 1 1 d . . . . .
C8 C 0.9344(19) 0.2278(18) 0.8724(16) 0.054(6) Uani 1 1 d . . . . .
H8A H 0.975011 0.179202 0.835961 0.081 Uiso 1 1 calc R U . . .
H8B H 0.954788 0.239720 0.935705 0.081 Uiso 1 1 calc R U . . .
H8C H 0.967475 0.284612 0.872442 0.081 Uiso 1 1 calc R U . . .
C27 C 0.195(2) 0.1530(15) 0.1052(15) 0.048(5) Uani 1 1 d . . . . .
C39 C 0.8541(19) 0.3313(12) 0.3390(14) 0.043(5) Uani 1 1 d . . . . .
C3 C 0.7285(18) 0.4069(13) 0.6249(12) 0.037(5) Uani 1 1 d . . . . .
H3 H 0.770545 0.438283 0.599573 0.045 Uiso 1 1 calc R U . . .
C31 C 0.308(2) 0.3383(16) 0.1225(15) 0.052(6) Uani 1 1 d . . . . .
C6 C 0.789(2) 0.1965(15) 0.8307(16) 0.052(6) Uani 1 1 d . . . . .
C10 C 0.741(2) 0.3824(18) 0.9769(14) 0.053(6) Uani 1 1 d . . . . .
C35 C 0.724(2) 0.1348(15) 0.3031(16) 0.049(5) Uani 1 1 d . . . . .
C34 C 0.1880(19) 0.3804(15) 0.1318(13) 0.047(5) Uani 1 1 d . . . . .
H34A H 0.212752 0.445345 0.148231 0.070 Uiso 1 1 calc R U . . .
H34B H 0.155118 0.376623 0.179928 0.070 Uiso 1 1 calc R U . . .
H34C H 0.120222 0.345758 0.073132 0.070 Uiso 1 1 calc R U . . .
C44 C 0.5605(17) 0.1807(14) 0.1111(14) 0.037(5) Uani 1 1 d . . . . .
C14 C 0.271(2) 0.1151(14) 0.5394(16) 0.060(7) Uani 1 1 d . . . . .
C20 C 0.120(2) 0.3042(19) 0.5995(17) 0.067(7) Uani 1 1 d . . . . .
H20A H 0.057196 0.340533 0.621842 0.100 Uiso 1 1 calc R U . . .
H20B H 0.074298 0.239853 0.554295 0.100 Uiso 1 1 calc R U . . .
H20C H 0.168930 0.330237 0.570526 0.100 Uiso 1 1 calc R U . . .
C32 C 0.428(2) 0.4184(16) 0.1823(16) 0.058(6) Uani 1 1 d . . . . .
H32A H 0.506353 0.394565 0.176370 0.087 Uiso 1 1 calc R U . . .
H32B H 0.426470 0.447844 0.246768 0.087 Uiso 1 1 calc R U . . .
H32C H 0.428901 0.464050 0.162070 0.087 Uiso 1 1 calc R U . . .
C30 C 0.058(3) 0.167(2) 0.0704(18) 0.083(9) Uani 1 1 d . . . . .
H30A H -0.009408 0.130941 0.079772 0.125 Uiso 1 1 calc R U . . .
H30B H 0.040313 0.147197 0.004777 0.125 Uiso 1 1 calc R U . . .
H30C H 0.057995 0.233173 0.105113 0.125 Uiso 1 1 calc R U . . .
C38 C 0.600(3) 0.0919(15) 0.3105(17) 0.063(7) Uani 1 1 d . . . . .
H38A H 0.527186 0.084729 0.262211 0.094 Uiso 1 1 calc R U . . .
H38B H 0.587744 0.131861 0.370943 0.094 Uiso 1 1 calc R U . . .
H38C H 0.604016 0.031003 0.303121 0.094 Uiso 1 1 calc R U . . .
C18 C 0.213(2) 0.3075(16) 0.6802(17) 0.050(6) Uani 1 1 d . . . . .
C19 C 0.289(3) 0.4019(17) 0.7495(17) 0.082(9) Uani 1 1 d . . . . .
H19A H 0.338736 0.427617 0.721007 0.123 Uiso 1 1 calc R U . . .
H19B H 0.347629 0.400351 0.799378 0.123 Uiso 1 1 calc R U . . .
H19C H 0.229304 0.440703 0.774499 0.123 Uiso 1 1 calc R U . . .
C41 C 0.949(2) 0.362(2) 0.4336(18) 0.078(9) Uani 1 1 d . . . . .
H41A H 1.024304 0.409627 0.446166 0.117 Uiso 1 1 calc R U . . .
H41B H 0.977674 0.308898 0.432427 0.117 Uiso 1 1 calc R U . . .
H41C H 0.904878 0.388197 0.482000 0.117 Uiso 1 1 calc R U . . .
C33 C 0.310(3) 0.2903(16) 0.0226(15) 0.059(6) Uani 1 1 d . . . . .
H33A H 0.220984 0.264293 -0.017348 0.089 Uiso 1 1 calc R U . . .
H33B H 0.355229 0.240476 0.010573 0.089 Uiso 1 1 calc R U . . .
H33C H 0.355375 0.335273 0.010050 0.089 Uiso 1 1 calc R U . . .
C28 C 0.188(2) 0.1153(16) 0.1707(16) 0.058(6) Uani 1 1 d . . . . .
H28A H 0.127717 0.141298 0.206296 0.087 Uiso 1 1 calc R U . . .
H28B H 0.274687 0.132964 0.212710 0.087 Uiso 1 1 calc R U . . .
H28C H 0.158651 0.047665 0.134967 0.087 Uiso 1 1 calc R U . . .
C42 C 0.816(2) 0.4143(14) 0.3428(17) 0.061(7) Uani 1 1 d . . . . .
H42A H 0.894359 0.463178 0.363812 0.092 Uiso 1 1 calc R U . . .
H42B H 0.763069 0.436191 0.385677 0.092 Uiso 1 1 calc R U . . .
H42C H 0.766545 0.398478 0.281343 0.092 Uiso 1 1 calc R U . . .
C17 C 0.187(3) 0.060(2) 0.5660(19) 0.099(12) Uani 1 1 d . . . . .
H17A H 0.114280 0.088231 0.581959 0.148 Uiso 1 1 calc R U . . .
H17B H 0.237483 0.059071 0.619208 0.148 Uiso 1 1 calc R U . . .
H17C H 0.152631 -0.003694 0.514257 0.148 Uiso 1 1 calc R U . . .
C37 C 0.743(3) 0.0734(16) 0.2095(18) 0.072(8) Uani 1 1 d . . . . .
H37A H 0.799862 0.033720 0.214331 0.107 Uiso 1 1 calc R U . . .
H37B H 0.783358 0.112186 0.188174 0.107 Uiso 1 1 calc R U . . .
H37C H 0.659228 0.034759 0.165552 0.107 Uiso 1 1 calc R U . . .
C29 C 0.235(3) 0.0833(17) 0.0206(17) 0.077(9) Uani 1 1 d . . . . .
H29A H 0.178652 0.021477 -0.006829 0.115 Uiso 1 1 calc R U . . .
H29B H 0.325383 0.081372 0.040447 0.115 Uiso 1 1 calc R U . . .
H29C H 0.227397 0.103266 -0.025090 0.115 Uiso 1 1 calc R U . . .
C12 C 0.676(4) 0.345(2) 1.0251(19) 0.16(2) Uani 1 1 d . . . . .
H12A H 0.724351 0.304028 1.036685 0.234 Uiso 1 1 calc R U . . .
H12B H 0.587728 0.309493 0.986788 0.234 Uiso 1 1 calc R U . . .
H12C H 0.672651 0.395896 1.083706 0.234 Uiso 1 1 calc R U . . .
C16 C 0.198(3) 0.1143(19) 0.4556(18) 0.094(10) Uani 1 1 d . . . . .
H16A H 0.250543 0.157902 0.444910 0.142 Uiso 1 1 calc R U . . .
H16B H 0.116834 0.132540 0.464953 0.142 Uiso 1 1 calc R U . . .
H16C H 0.178413 0.051779 0.402128 0.142 Uiso 1 1 calc R U . . .
C7A C 0.759(3) 0.137(2) 0.728(2) 0.119(14) Uani 1 1 d . . . . .
H7A1 H 0.793903 0.173231 0.702354 0.178 Uiso 1 1 calc R U . . .
H7A2 H 0.664871 0.114086 0.700702 0.178 Uiso 1 1 calc R U . . .
H7A3 H 0.798686 0.083852 0.712571 0.178 Uiso 1 1 calc R U . . .
C36 C 0.835(3) 0.1455(19) 0.379(2) 0.086(9) Uani 1 1 d . . . . .
H36A H 0.799572 0.126353 0.418134 0.129 Uiso 1 1 calc R U . . .
H36B H 0.882987 0.210472 0.416373 0.129 Uiso 1 1 calc R U . . .
H36C H 0.892541 0.106678 0.351747 0.129 Uiso 1 1 calc R U . . .
C13 C 0.877(3) 0.432(2) 1.0270(19) 0.103(12) Uani 1 1 d . . . . .
H13A H 0.882640 0.478015 1.090553 0.155 Uiso 1 1 calc R U . . .
H13B H 0.911083 0.463840 0.996931 0.155 Uiso 1 1 calc R U . . .
H13C H 0.928708 0.388151 1.026920 0.155 Uiso 1 1 calc R U . . .
C9 C 0.725(4) 0.136(2) 0.866(3) 0.107(13) Uani 1 1 d . . . . .
H9A H 0.632933 0.135130 0.856485 0.160 Uiso 1 1 calc R U . . .
H9B H 0.767247 0.162878 0.931531 0.160 Uiso 1 1 calc R U . . .
H9C H 0.736272 0.073130 0.831642 0.160 Uiso 1 1 calc R U . . .
C15 C 0.390(3) 0.0817(18) 0.521(2) 0.103(12) Uani 1 1 d . . . . .
H15A H 0.365608 0.019440 0.466550 0.154 Uiso 1 1 calc R U . . .
H15B H 0.438585 0.079789 0.574160 0.154 Uiso 1 1 calc R U . . .
H15C H 0.445227 0.123936 0.509709 0.154 Uiso 1 1 calc R U . . .
C11 C 0.674(4) 0.459(2) 0.9780(18) 0.130(16) Uani 1 1 d . . . . .
H11A H 0.701511 0.478961 0.936954 0.195 Uiso 1 1 calc R U . . .
H11B H 0.698649 0.512599 1.040785 0.195 Uiso 1 1 calc R U . . .
H11C H 0.579886 0.435274 0.957122 0.195 Uiso 1 1 calc R U . . .
C21 C 0.140(3) 0.2593(18) 0.7304(18) 0.074(7) Uiso 1 1 d . . . . .
H21A H 0.204935 0.259107 0.778491 0.110 Uiso 1 1 calc R U . . .
H21B H 0.092689 0.195484 0.684323 0.110 Uiso 1 1 calc R U . . .
H21C H 0.079089 0.294926 0.757895 0.110 Uiso 1 1 calc R U . . .
P3B P 0.705(7) 0.272(4) 0.331(5) 0.0228(17) Uani 0.15 1 d . . P . .
C40 C 0.908(2) 0.2830(16) 0.2581(16) 0.057(6) Uiso 1 1 d . . . . .
H40A H 0.842479 0.265949 0.201260 0.085 Uiso 1 1 calc R U . . .
H40B H 0.929090 0.226998 0.255289 0.085 Uiso 1 1 calc R U . . .
H40C H 0.985787 0.324550 0.265109 0.085 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
Rh2 C44 1.82(2) . ?
Rh2 N4 2.054(12) . ?
Rh2 P4 2.276(5) . ?
Rh2 P3 2.278(11) . ?
Rh2 P3B 2.31(8) . ?
Rh1 C43 1.834(16) . ?
Rh1 N1 2.040(13) . ?
Rh1 P1 2.289(5) . ?
Rh1 P2 2.292(5) . ?
P4 N6A 1.710(16) . ?
P4 C27 1.82(2) . ?
P4 C31 1.84(2) . ?
P1 N2 1.715(14) . ?
P1 C18 1.88(2) . ?
P1 C14 1.91(2) . ?
P3 N5 1.787(16) . ?
P3 C35 1.85(2) . ?
P3 C39 1.89(2) . ?
P2 N3 1.724(15) . ?
P2 C6 1.87(2) . ?
P2 C10 1.90(2) . ?
N1 C5 1.39(2) . ?
N1 C1 1.40(2) . ?
O3 C25 1.23(2) . ?
N4 C22 1.36(2) . ?
N4 C26 1.36(2) . ?
O1 C4 1.23(2) . ?
N3 C5 1.28(2) . ?
O4 C44 1.17(2) . ?
N6A C26 1.32(2) . ?
N2 C1 1.28(2) . ?
C2 C3 1.30(3) . ?
C2 C1 1.47(2) . ?
C2 C23 1.49(2) . ?
N5 C22 1.28(2) . ?
N5 P3B 1.58(7) . ?
C23 C24 1.35(3) . ?
C23 C22 1.49(2) . ?
C24 C25 1.50(3) . ?
C24 H24 0.9500 . ?
C26 C25 1.50(2) . ?
C4 C3 1.49(3) . ?
C4 C5 1.50(2) . ?
C43 O2 1.147(19) . ?
C8 C6 1.51(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C27 C28 1.53(3) . ?
C27 C29 1.56(3) . ?
C27 C30 1.58(4) . ?
C39 C42 1.48(3) . ?
C39 C40 1.51(3) . ?
C39 C41 1.55(3) . ?
C39 P3B 1.74(8) . ?
C3 H3 0.9500 . ?
C31 C33 1.52(3) . ?
C31 C32 1.53(3) . ?
C31 C34 1.55(3) . ?
C6 C7A 1.51(4) . ?
C6 C9 1.55(3) . ?
C10 C13 1.47(3) . ?
C10 C12 1.48(3) . ?
C10 C11 1.56(4) . ?
C35 C38 1.50(3) . ?
C35 C37 1.52(3) . ?
C35 C36 1.52(4) . ?
C35 P3B 2.18(6) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C14 C15 1.49(4) . ?
C14 C16 1.50(4) . ?
C14 C17 1.50(3) . ?
C20 C18 1.53(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C18 C19 1.47(3) . ?
C18 C21 1.67(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C7A H7A1 0.9800 . ?
C7A H7A2 0.9800 . ?
C7A H7A3 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C44 Rh2 N4 178.2(7) . . ?
C44 Rh2 P4 100.7(6) . . ?
N4 Rh2 P4 79.9(4) . . ?
C44 Rh2 P3 98.5(6) . . ?
N4 Rh2 P3 80.8(5) . . ?
P4 Rh2 P3 160.3(3) . . ?
C44 Rh2 P3B 105.1(17) . . ?
N4 Rh2 P3B 74.4(17) . . ?
P4 Rh2 P3B 154.0(15) . . ?
P3 Rh2 P3B 9.6(14) . . ?
C43 Rh1 N1 178.3(7) . . ?
C43 Rh1 P1 101.5(6) . . ?
N1 Rh1 P1 79.8(4) . . ?
C43 Rh1 P2 99.4(6) . . ?
N1 Rh1 P2 79.3(4) . . ?
P1 Rh1 P2 159.05(17) . . ?
N6A P4 C27 103.7(8) . . ?
N6A P4 C31 98.6(9) . . ?
C27 P4 C31 113.6(11) . . ?
N6A P4 Rh2 104.5(6) . . ?
C27 P4 Rh2 115.0(8) . . ?
C31 P4 Rh2 118.2(7) . . ?
N2 P1 C18 101.1(8) . . ?
N2 P1 C14 100.6(9) . . ?
C18 P1 C14 116.8(11) . . ?
N2 P1 Rh1 103.3(6) . . ?
C18 P1 Rh1 116.6(8) . . ?
C14 P1 Rh1 114.6(8) . . ?
N5 P3 C35 101.8(10) . . ?
N5 P3 C39 100.8(8) . . ?
C35 P3 C39 115.2(11) . . ?
N5 P3 Rh2 101.8(7) . . ?
C35 P3 Rh2 118.1(8) . . ?
C39 P3 Rh2 115.0(9) . . ?
N3 P2 C6 100.5(9) . . ?
N3 P2 C10 102.4(8) . . ?
C6 P2 C10 112.6(11) . . ?
N3 P2 Rh1 103.9(6) . . ?
C6 P2 Rh1 116.1(7) . . ?
C10 P2 Rh1 118.0(7) . . ?
C5 N1 C1 120.8(13) . . ?
C5 N1 Rh1 119.7(11) . . ?
C1 N1 Rh1 119.5(11) . . ?
C22 N4 C26 122.8(14) . . ?
C22 N4 Rh2 119.2(11) . . ?
C26 N4 Rh2 118.0(11) . . ?
C5 N3 P2 113.9(12) . . ?
C26 N6A P4 112.4(13) . . ?
C1 N2 P1 115.4(13) . . ?
C3 C2 C1 121.0(18) . . ?
C3 C2 C23 121.7(16) . . ?
C1 C2 C23 117.2(16) . . ?
C22 N5 P3B 111(3) . . ?
C22 N5 P3 113.8(12) . . ?
P3B N5 P3 11(2) . . ?
C24 C23 C2 119.9(15) . . ?
C24 C23 C22 119.7(16) . . ?
C2 C23 C22 120.3(16) . . ?
N5 C22 N4 124.1(15) . . ?
N5 C22 C23 115.3(15) . . ?
N4 C22 C23 120.5(15) . . ?
C23 C24 C25 120.0(16) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
N6A C26 N4 124.6(16) . . ?
N6A C26 C25 115.8(16) . . ?
N4 C26 C25 119.4(15) . . ?
O1 C4 C3 121.6(16) . . ?
O1 C4 C5 121.3(17) . . ?
C3 C4 C5 117.0(15) . . ?
N3 C5 N1 123.2(15) . . ?
N3 C5 C4 117.7(15) . . ?
N1 C5 C4 119.0(15) . . ?
O3 C25 C24 119.1(16) . . ?
O3 C25 C26 123.8(17) . . ?
C24 C25 C26 117.0(16) . . ?
N2 C1 N1 122.0(15) . . ?
N2 C1 C2 117.3(17) . . ?
N1 C1 C2 120.7(16) . . ?
O2 C43 Rh1 174.0(17) . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C28 C27 C29 110(2) . . ?
C28 C27 C30 110.2(18) . . ?
C29 C27 C30 109(2) . . ?
C28 C27 P4 106.2(16) . . ?
C29 C27 P4 108.7(14) . . ?
C30 C27 P4 112.9(17) . . ?
C42 C39 C40 110.5(19) . . ?
C42 C39 C41 107.8(18) . . ?
C40 C39 C41 114(2) . . ?
C42 C39 P3B 99(3) . . ?
C40 C39 P3B 116(2) . . ?
C41 C39 P3B 109(3) . . ?
C42 C39 P3 107.4(15) . . ?
C40 C39 P3 105.3(13) . . ?
C41 C39 P3 111.4(16) . . ?
P3B C39 P3 11.2(19) . . ?
C2 C3 C4 121.4(17) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C33 C31 C32 110.4(18) . . ?
C33 C31 C34 109.5(19) . . ?
C32 C31 C34 107.2(19) . . ?
C33 C31 P4 111.0(16) . . ?
C32 C31 P4 103.8(15) . . ?
C34 C31 P4 114.6(15) . . ?
C7A C6 C8 109(2) . . ?
C7A C6 C9 107(2) . . ?
C8 C6 C9 111(2) . . ?
C7A C6 P2 105.3(18) . . ?
C8 C6 P2 114.1(16) . . ?
C9 C6 P2 109.7(18) . . ?
C13 C10 C12 113(3) . . ?
C13 C10 C11 104(3) . . ?
C12 C10 C11 106(3) . . ?
C13 C10 P2 116.7(17) . . ?
C12 C10 P2 111.5(17) . . ?
C11 C10 P2 104.7(16) . . ?
C38 C35 C37 109.8(19) . . ?
C38 C35 C36 108(2) . . ?
C37 C35 C36 110(2) . . ?
C38 C35 P3 104.8(16) . . ?
C37 C35 P3 110.2(16) . . ?
C36 C35 P3 113.3(17) . . ?
C38 C35 P3B 105(2) . . ?
C37 C35 P3B 115(2) . . ?
C36 C35 P3B 108(2) . . ?
P3 C35 P3B 6(2) . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O4 C44 Rh2 178.4(17) . . ?
C15 C14 C16 108(2) . . ?
C15 C14 C17 114(3) . . ?
C16 C14 C17 111(2) . . ?
C15 C14 P1 104.3(16) . . ?
C16 C14 P1 112.2(17) . . ?
C17 C14 P1 107.7(17) . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C19 C18 C20 112(2) . . ?
C19 C18 C21 110(2) . . ?
C20 C18 C21 112.9(19) . . ?
C19 C18 P1 105.9(16) . . ?
C20 C18 P1 112.3(17) . . ?
C21 C18 P1 103.0(15) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C6 C7A H7A1 109.5 . . ?
C6 C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
C6 C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
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 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N5 P3B C39 117(4) . . ?
N5 P3B C35 96(4) . . ?
C39 P3B C35 107(3) . . ?
N5 P3B Rh2 108(4) . . ?
C39 P3B Rh2 120(4) . . ?
C35 P3B Rh2 104(3) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?

_refine_diff_density_max         6.023
_refine_diff_density_min         -2.282
_refine_diff_density_rms         0.363

