#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:18:24 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179240 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/60/4316025.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4316025
loop_
_publ_author_name
'Jeroen Wassenaar'
'Maxime A. Siegler'
'Anthony L. Spek'
'Bas de Bruin'
'Joost N. H. Reek'
'Jarl Ivar van der Vlugt'
_publ_section_title
;
 Versatile New C3-Symmetric Tripodal Tetraphosphine Ligands; Structural
 Flexibility to Stabilize CuI and RhI Species and Tune Their Reactivity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6495
_journal_page_last               6508
_journal_paper_doi               10.1021/ic100221w
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C63 H51 Cl N3 P4 Rh, C4 H8 O'
_chemical_formula_sum            'C67 H59 Cl N3 O P4 Rh'
_chemical_formula_weight         1184.41
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.1776(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.19780(10)
_cell_length_b                   18.47700(10)
_cell_length_c                   25.01230(10)
_cell_measurement_reflns_used    82974
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.02
_cell_volume                     5593.07(6)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 2006)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 2006)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF08 (Beurskens et al., 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            82453
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.806
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         12817
_refine_ls_number_restraints     200
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0315P)²+5.0742P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                11096
_reflns_number_total             12817
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic100221w_si_002_6.cif
_cod_data_source_block           7
_cod_original_cell_volume        5593.06(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4316025
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.151984(10) 0.199007(7) 0.121907(5) 0.01441(4) Uani 1 1 d . A .
Cl1 Cl -0.04051(3) 0.16888(3) 0.094851(18) 0.02334(10) Uani 1 1 d . . .
P1 P 0.11905(4) 0.29846(2) 0.173982(18) 0.01624(9) Uani 1 1 d . A .
P2 P 0.21761(4) 0.22841(2) 0.039732(17) 0.01607(9) Uani 1 1 d . A .
P3 P 0.19352(4) 0.08442(2) 0.154250(18) 0.01644(9) Uani 1 1 d D . .
P4 P 0.31632(3) 0.22205(2) 0.154729(17) 0.01473(9) Uani 1 1 d . . .
C1 C 0.22780(14) 0.29224(9) 0.23062(7) 0.0167(3) Uani 1 1 d . . .
C2 C 0.24090(14) 0.31381(10) 0.28313(7) 0.0179(3) Uani 1 1 d . A .
C3 C 0.34702(15) 0.28713(10) 0.30687(7) 0.0190(4) Uani 1 1 d . . .
C4 C 0.40315(16) 0.29216(11) 0.35933(7) 0.0235(4) Uani 1 1 d . A .
H4 H 0.3714 0.3175 0.3866 0.028 Uiso 1 1 calc R . .
C5 C 0.50498(17) 0.25966(12) 0.37043(8) 0.0297(4) Uani 1 1 d . . .
H5 H 0.5437 0.2627 0.4057 0.036 Uiso 1 1 calc R A .
C6 C 0.55206(17) 0.22229(13) 0.33053(8) 0.0309(5) Uani 1 1 d . A .
H6 H 0.6221 0.1999 0.3395 0.037 Uiso 1 1 calc R . .
C7 C 0.49960(15) 0.21691(11) 0.27819(8) 0.0249(4) Uani 1 1 d . . .
H7 H 0.5325 0.1917 0.2512 0.030 Uiso 1 1 calc R A .
C8 C 0.39666(14) 0.24997(10) 0.26686(7) 0.0188(3) Uani 1 1 d . A .
C9 C 0.16284(15) 0.35824(10) 0.31166(7) 0.0221(4) Uani 1 1 d . . .
H9A H 0.1330 0.3979 0.2882 0.033 Uiso 1 1 calc R A .
H9B H 0.2025 0.3782 0.3449 0.033 Uiso 1 1 calc R . .
H9C H 0.1021 0.3276 0.3205 0.033 Uiso 1 1 calc R . .
C10 C -0.00751(14) 0.30276(10) 0.20566(7) 0.0197(4) Uani 1 1 d . . .
C11 C -0.03683(16) 0.24161(12) 0.23307(8) 0.0260(4) Uani 1 1 d . A .
H11 H 0.0092 0.2000 0.2353 0.031 Uiso 1 1 calc R . .
C12 C -0.13317(17) 0.24148(13) 0.25714(8) 0.0304(5) Uani 1 1 d . . .
H12 H -0.1524 0.2000 0.2764 0.037 Uiso 1 1 calc R A .
C13 C -0.20117(17) 0.30143(13) 0.25322(9) 0.0352(5) Uani 1 1 d . A .
H13 H -0.2668 0.3013 0.2700 0.042 Uiso 1 1 calc R . .
C14 C -0.17402(18) 0.36119(13) 0.22504(11) 0.0411(6) Uani 1 1 d . . .
H14 H -0.2217 0.4020 0.2218 0.049 Uiso 1 1 calc R A .
C15 C -0.07641(16) 0.36216(12) 0.20117(9) 0.0307(5) Uani 1 1 d . A .
H15 H -0.0576 0.4037 0.1819 0.037 Uiso 1 1 calc R . .
C16 C 0.14364(16) 0.39105(10) 0.15098(8) 0.0228(4) Uani 1 1 d . . .
C17 C 0.21903(16) 0.43797(11) 0.17965(9) 0.0276(4) Uani 1 1 d . A .
H17 H 0.2532 0.4244 0.2144 0.033 Uiso 1 1 calc R . .
C18 C 0.24510(18) 0.50439(12) 0.15816(10) 0.0363(5) Uani 1 1 d . . .
H18 H 0.2962 0.5358 0.1784 0.044 Uiso 1 1 calc R A .
C19 C 0.1973(2) 0.52452(13) 0.10802(11) 0.0424(6) Uani 1 1 d . A .
H19 H 0.2166 0.5693 0.0930 0.051 Uiso 1 1 calc R . .
C20 C 0.1210(2) 0.47977(14) 0.07921(10) 0.0459(6) Uani 1 1 d . . .
H20 H 0.0864 0.4945 0.0448 0.055 Uiso 1 1 calc R A .
C21 C 0.0942(2) 0.41286(12) 0.10036(9) 0.0353(5) Uani 1 1 d . A .
H21 H 0.0420 0.3822 0.0801 0.042 Uiso 1 1 calc R . .
C22 C 0.31994(14) 0.29721(10) 0.06346(7) 0.0178(3) Uani 1 1 d . . .
C23 C 0.35178(16) 0.36202(10) 0.04456(7) 0.0225(4) Uani 1 1 d . A .
C24 C 0.42369(15) 0.39589(10) 0.08736(8) 0.0220(4) Uani 1 1 d . . .
C25 C 0.47300(17) 0.46429(11) 0.09107(9) 0.0291(4) Uani 1 1 d . A .
H25 H 0.4654 0.4961 0.0610 0.035 Uiso 1 1 calc R . .
C26 C 0.53288(17) 0.48472(12) 0.13916(9) 0.0325(5) Uani 1 1 d . . .
H26 H 0.5658 0.5313 0.1425 0.039 Uiso 1 1 calc R A .
C27 C 0.54542(16) 0.43732(12) 0.18306(8) 0.0293(4) Uani 1 1 d . A .
H27 H 0.5878 0.4524 0.2156 0.035 Uiso 1 1 calc R . .
C28 C 0.49802(15) 0.36910(11) 0.18057(8) 0.0232(4) Uani 1 1 d . . .
H28 H 0.5077 0.3371 0.2105 0.028 Uiso 1 1 calc R A .
C29 C 0.43554(14) 0.34934(10) 0.13228(7) 0.0199(4) Uani 1 1 d . A .
C30 C 0.31936(19) 0.39707(12) -0.00930(8) 0.0324(5) Uani 1 1 d . . .
H30A H 0.3533 0.3707 -0.0370 0.049 Uiso 1 1 calc R A .
H30B H 0.3449 0.4474 -0.0080 0.049 Uiso 1 1 calc R . .
H30C H 0.2388 0.3959 -0.0180 0.049 Uiso 1 1 calc R . .
C31 C 0.12799(15) 0.26731(10) -0.01705(7) 0.0188(4) Uani 1 1 d . . .
C32 C 0.02290(16) 0.28926(10) -0.00765(8) 0.0227(4) Uani 1 1 d . A .
H32 H 0.0016 0.2852 0.0275 0.027 Uiso 1 1 calc R . .
C33 C -0.05094(17) 0.31706(12) -0.04937(9) 0.0298(4) Uani 1 1 d . . .
H33 H -0.1217 0.3334 -0.0425 0.036 Uiso 1 1 calc R A .
C34 C -0.02165(18) 0.32103(11) -0.10089(8) 0.0297(4) Uani 1 1 d . A .
H34 H -0.0722 0.3402 -0.1294 0.036 Uiso 1 1 calc R . .
C35 C 0.08132(18) 0.29715(11) -0.11107(8) 0.0269(4) Uani 1 1 d . . .
H35 H 0.1007 0.2989 -0.1467 0.032 Uiso 1 1 calc R A .
C36 C 0.15600(16) 0.27070(10) -0.06952(7) 0.0228(4) Uani 1 1 d . A .
H36 H 0.2268 0.2547 -0.0767 0.027 Uiso 1 1 calc R . .
C37 C 0.30106(15) 0.16495(10) 0.00544(7) 0.0192(4) Uani 1 1 d . . .
C38 C 0.41573(16) 0.16349(11) 0.01546(7) 0.0237(4) Uani 1 1 d . A .
H38 H 0.4534 0.1987 0.0386 0.028 Uiso 1 1 calc R . .
C39 C 0.47596(18) 0.11080(12) -0.00807(8) 0.0309(5) Uani 1 1 d . . .
H39 H 0.5543 0.1103 -0.0010 0.037 Uiso 1 1 calc R A .
C40 C 0.42167(19) 0.05920(11) -0.04172(8) 0.0310(5) Uani 1 1 d . A .
H40 H 0.4627 0.0232 -0.0577 0.037 Uiso 1 1 calc R . .
C41 C 0.30732(18) 0.06017(11) -0.05199(8) 0.0284(4) Uani 1 1 d . . .
H41 H 0.2700 0.0248 -0.0751 0.034 Uiso 1 1 calc R A .
C42 C 0.24723(16) 0.11262(10) -0.02873(7) 0.0226(4) Uani 1 1 d . A .
H42 H 0.1689 0.1130 -0.0360 0.027 Uiso 1 1 calc R . .
C43 C 0.34429(14) 0.08026(10) 0.16287(7) 0.0183(3) Uani 1 1 d . A .
C44 C 0.42093(15) 0.02615(10) 0.16716(7) 0.0205(4) Uani 1 1 d . . .
C45 C 0.52715(14) 0.05991(10) 0.16531(7) 0.0204(4) Uani 1 1 d . A .
C46 C 0.63449(16) 0.03131(12) 0.16764(8) 0.0274(4) Uani 1 1 d . . .
H46 H 0.6475 -0.0190 0.1731 0.033 Uiso 1 1 calc R A .
C47 C 0.72053(16) 0.07797(12) 0.16183(8) 0.0309(5) Uani 1 1 d . A .
H47 H 0.7933 0.0592 0.1629 0.037 Uiso 1 1 calc R . .
C48 C 0.70279(16) 0.15234(12) 0.15435(8) 0.0280(4) Uani 1 1 d . . .
H48 H 0.7636 0.1830 0.1500 0.034 Uiso 1 1 calc R A .
C49 C 0.59840(15) 0.18216(11) 0.15320(7) 0.0232(4) Uani 1 1 d . A .
H49 H 0.5865 0.2327 0.1488 0.028 Uiso 1 1 calc R . .
C50 C 0.51155(14) 0.13485(10) 0.15880(7) 0.0194(4) Uani 1 1 d . . .
C51 C 0.40273(17) -0.05380(11) 0.16971(9) 0.0287(4) Uani 1 1 d . A .
H51A H 0.3366 -0.0635 0.1872 0.043 Uiso 1 1 calc R . .
H51B H 0.4670 -0.0766 0.1905 0.043 Uiso 1 1 calc R . .
H51C H 0.3926 -0.0737 0.1331 0.043 Uiso 1 1 calc R . .
C52 C 0.1427(4) 0.0048(4) 0.1150(3) 0.0224(13) Uani 0.544(6) 1 d PDU A 1
C53 C 0.1241(4) 0.0135(2) 0.05923(16) 0.0328(10) Uani 0.544(6) 1 d PDU A 1
H53 H 0.1330 0.0597 0.0438 0.039 Uiso 0.544(6) 1 calc PR A 1
C54 C 0.0927(4) -0.0450(3) 0.02618(18) 0.0431(12) Uani 0.544(6) 1 d PDU A 1
H54 H 0.0799 -0.0393 -0.0118 0.052 Uiso 0.544(6) 1 calc PR A 1
C55 C 0.0802(5) -0.1122(5) 0.0495(4) 0.0378(14) Uani 0.544(6) 1 d PDU A 1
H55 H 0.0589 -0.1525 0.0270 0.045 Uiso 0.544(6) 1 calc PR A 1
C56 C 0.0983(5) -0.1215(5) 0.1048(3) 0.0351(13) Uani 0.544(6) 1 d PDU A 1
H56 H 0.0893 -0.1679 0.1200 0.042 Uiso 0.544(6) 1 calc PR A 1
C57 C 0.1297(5) -0.0628(4) 0.1378(3) 0.0272(12) Uani 0.544(6) 1 d PDU A 1
H57 H 0.1422 -0.0687 0.1758 0.033 Uiso 0.544(6) 1 calc PR A 1
C52' C 0.1585(5) 0.0028(5) 0.1151(4) 0.0196(14) Uani 0.456(6) 1 d PDU A 2
C53' C 0.1909(5) 0.0000(3) 0.06450(19) 0.0330(12) Uani 0.456(6) 1 d PDU A 2
H53' H 0.2319 0.0390 0.0522 0.040 Uiso 0.456(6) 1 calc PR A 2
C54' C 0.1646(5) -0.0588(3) 0.0313(2) 0.0392(13) Uani 0.456(6) 1 d PDU A 2
H54' H 0.1881 -0.0591 -0.0035 0.047 Uiso 0.456(6) 1 calc PR A 2
C55' C 0.1058(6) -0.1165(5) 0.0467(4) 0.0351(15) Uani 0.456(6) 1 d PDU A 2
H55' H 0.0886 -0.1565 0.0233 0.042 Uiso 0.456(6) 1 calc PR A 2
C56' C 0.0726(6) -0.1145(6) 0.0972(4) 0.0342(16) Uani 0.456(6) 1 d PDU A 2
H56' H 0.0314 -0.1539 0.1088 0.041 Uiso 0.456(6) 1 calc PR A 2
C57' C 0.0981(5) -0.0556(5) 0.1321(4) 0.0273(15) Uani 0.456(6) 1 d PDU A 2
H57' H 0.0746 -0.0554 0.1670 0.033 Uiso 0.456(6) 1 calc PR A 2
C58 C 0.15369(15) 0.06543(10) 0.22055(7) 0.0196(4) Uani 1 1 d . A .
C59 C 0.22593(17) 0.06885(11) 0.26778(8) 0.0263(4) Uani 1 1 d . . .
H59 H 0.3024 0.0769 0.2664 0.032 Uiso 1 1 calc R A .
C60 C 0.1864(2) 0.06048(13) 0.31733(8) 0.0364(5) Uani 1 1 d . A .
H60 H 0.2362 0.0630 0.3497 0.044 Uiso 1 1 calc R . .
C61 C 0.0755(2) 0.04854(11) 0.31979(9) 0.0359(5) Uani 1 1 d . . .
H61 H 0.0493 0.0419 0.3537 0.043 Uiso 1 1 calc R A .
C62 C 0.00281(19) 0.04625(12) 0.27296(10) 0.0367(5) Uani 1 1 d . A .
H62 H -0.0737 0.0387 0.2746 0.044 Uiso 1 1 calc R . .
C63 C 0.04122(17) 0.05497(12) 0.22366(9) 0.0312(5) Uani 1 1 d . . .
H63 H -0.0094 0.0538 0.1915 0.037 Uiso 1 1 calc R A .
N1 N 0.32366(11) 0.25441(8) 0.21891(6) 0.0170(3) Uani 1 1 d . A .
N2 N 0.37311(12) 0.28650(8) 0.11775(6) 0.0179(3) Uani 1 1 d . A .
N3 N 0.39827(11) 0.14820(8) 0.15843(6) 0.0170(3) Uani 1 1 d . A .
O1S O 0.7104(2) 0.40552(12) 0.00433(8) 0.0717(6) Uani 1 1 d D B 1
C1S C 0.7640(2) 0.40070(15) 0.05691(11) 0.0482(6) Uani 1 1 d D B 1
H1S1 H 0.7369 0.4390 0.0796 0.058 Uiso 1 1 calc R B 1
H1S2 H 0.8446 0.4071 0.0570 0.058 Uiso 1 1 calc R B 1
C2S C 0.7403(2) 0.32755(15) 0.07868(11) 0.0503(6) Uani 1 1 d . B 1
H2S1 H 0.8085 0.3053 0.0972 0.060 Uiso 1 1 calc R B 1
H2S2 H 0.6849 0.3310 0.1043 0.060 Uiso 1 1 calc R B 1
C3S C 0.6962(3) 0.28460(17) 0.02994(13) 0.0611(8) Uani 1 1 d . B 1
H3S1 H 0.6370 0.2511 0.0380 0.073 Uiso 1 1 calc R B 1
H3S2 H 0.7555 0.2565 0.0159 0.073 Uiso 1 1 calc R B 1
C4S C 0.6517(3) 0.3423(2) -0.00898(12) 0.0741(11) Uani 1 1 d D B 1
H4S1 H 0.6604 0.3276 -0.0463 0.089 Uiso 1 1 calc R B 1
H4S2 H 0.5721 0.3501 -0.0067 0.089 Uiso 1 1 calc R B 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P4 Rh1 P3 83.813(17) . . ?
P4 Rh1 P1 81.047(17) . . ?
P3 Rh1 P1 125.344(17) . . ?
P4 Rh1 P2 83.309(16) . . ?
P3 Rh1 P2 115.741(16) . . ?
P1 Rh1 P2 114.116(17) . . ?
P4 Rh1 Cl1 173.292(17) . . ?
P3 Rh1 Cl1 92.859(17) . . ?
P1 Rh1 Cl1 96.263(16) . . ?
P2 Rh1 Cl1 103.393(16) . . ?
C1 P1 C10 103.83(8) . . ?
C1 P1 C16 99.82(9) . . ?
C10 P1 C16 105.97(8) . . ?
C1 P1 Rh1 103.12(6) . . ?
C10 P1 Rh1 119.65(6) . . ?
C16 P1 Rh1 120.99(6) . . ?
C31 P2 C22 107.25(8) . . ?
C31 P2 C37 101.60(8) . . ?
C22 P2 C37 101.54(8) . . ?
C31 P2 Rh1 122.15(6) . . ?
C22 P2 Rh1 99.76(6) . . ?
C37 P2 Rh1 121.90(6) . . ?
C58 P3 C52' 105.0(3) . . ?
C58 P3 C43 105.30(8) . . ?
C52' P3 C43 101.19(19) . . ?
C58 P3 C52 102.8(3) . . ?
C43 P3 C52 107.31(15) . . ?
C58 P3 Rh1 115.21(6) . . ?
C52' P3 Rh1 123.2(3) . . ?
C43 P3 Rh1 104.74(6) . . ?
C52 P3 Rh1 120.4(2) . . ?
N3 P4 N1 105.72(7) . . ?
N3 P4 N2 108.42(7) . . ?
N1 P4 N2 106.77(8) . . ?
N3 P4 Rh1 112.66(5) . . ?
N1 P4 Rh1 111.86(5) . . ?
N2 P4 Rh1 111.08(5) . . ?
C2 C1 N1 109.97(15) . . ?
C2 C1 P1 135.91(14) . . ?
N1 C1 P1 114.10(12) . . ?
C1 C2 C3 106.74(15) . . ?
C1 C2 C9 127.76(16) . . ?
C3 C2 C9 125.49(16) . . ?
C4 C3 C8 119.49(17) . . ?
C4 C3 C2 132.02(17) . . ?
C8 C3 C2 108.49(15) . . ?
C5 C4 C3 118.78(17) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
C4 C5 C6 120.90(18) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 121.88(19) . . ?
C7 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C6 C7 C8 117.28(18) . . ?
C6 C7 H7 121.4 . . ?
C8 C7 H7 121.4 . . ?
C7 C8 N1 131.19(16) . . ?
C7 C8 C3 121.66(16) . . ?
N1 C8 C3 107.15(15) . . ?
C2 C9 H9A 109.5 . . ?
C2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 119.68(17) . . ?
C15 C10 P1 122.69(15) . . ?
C11 C10 P1 117.55(14) . . ?
C12 C11 C10 119.98(19) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C13 C12 C11 120.2(2) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C12 120.05(19) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.2(2) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C10 C15 C14 119.9(2) . . ?
C10 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C21 C16 C17 118.07(19) . . ?
C21 C16 P1 118.94(16) . . ?
C17 C16 P1 122.64(15) . . ?
C18 C17 C16 121.1(2) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C19 C18 C17 120.1(2) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C20 119.9(2) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 C21 120.4(2) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C16 C21 C20 120.3(2) . . ?
C16 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 N2 109.45(15) . . ?
C23 C22 P2 135.38(14) . . ?
N2 C22 P2 114.73(12) . . ?
C22 C23 C24 107.34(16) . . ?
C22 C23 C30 129.47(18) . . ?
C24 C23 C30 123.16(17) . . ?
C25 C24 C29 119.93(18) . . ?
C25 C24 C23 131.27(18) . . ?
C29 C24 C23 108.67(16) . . ?
C26 C25 C24 118.80(19) . . ?
C26 C25 H25 120.6 . . ?
C24 C25 H25 120.6 . . ?
C25 C26 C27 120.50(19) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C28 C27 C26 122.05(19) . . ?
C28 C27 H27 119.0 . . ?
C26 C27 H27 119.0 . . ?
C27 C28 C29 117.22(18) . . ?
C27 C28 H28 121.4 . . ?
C29 C28 H28 121.4 . . ?
C28 C29 C24 121.47(17) . . ?
C28 C29 N2 131.13(17) . . ?
C24 C29 N2 107.39(16) . . ?
C23 C30 H30A 109.5 . . ?
C23 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C23 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 118.91(17) . . ?
C32 C31 P2 117.21(13) . . ?
C36 C31 P2 123.67(14) . . ?
C33 C32 C31 120.34(18) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 120.09(19) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.06(18) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 120.13(18) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C35 C36 C31 120.40(18) . . ?
C35 C36 H36 119.8 . . ?
C31 C36 H36 119.8 . . ?
C38 C37 C42 118.80(17) . . ?
C38 C37 P2 122.19(14) . . ?
C42 C37 P2 118.82(14) . . ?
C37 C38 C39 120.60(19) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C40 C39 C38 120.04(19) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C40 C41 119.82(18) . . ?
C39 C40 H40 120.1 . . ?
C41 C40 H40 120.1 . . ?
C42 C41 C40 120.26(19) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C41 C42 C37 120.48(18) . . ?
C41 C42 H42 119.8 . . ?
C37 C42 H42 119.8 . . ?
C44 C43 N3 109.41(15) . . ?
C44 C43 P3 135.26(15) . . ?
N3 C43 P3 114.91(12) . . ?
C43 C44 C45 106.84(16) . . ?
C43 C44 C51 128.56(17) . . ?
C45 C44 C51 124.49(17) . . ?
C50 C45 C46 119.15(17) . . ?
C50 C45 C44 108.70(15) . . ?
C46 C45 C44 132.13(19) . . ?
C47 C46 C45 118.51(19) . . ?
C47 C46 H46 120.7 . . ?
C45 C46 H46 120.7 . . ?
C46 C47 C48 121.36(18) . . ?
C46 C47 H47 119.3 . . ?
C48 C47 H47 119.3 . . ?
C49 C48 C47 121.32(19) . . ?
C49 C48 H48 119.3 . . ?
C47 C48 H48 119.3 . . ?
C48 C49 C50 117.19(19) . . ?
C48 C49 H49 121.4 . . ?
C50 C49 H49 121.4 . . ?
C49 C50 N3 130.51(18) . . ?
C49 C50 C45 122.43(16) . . ?
N3 C50 C45 107.05(15) . . ?
C44 C51 H51A 109.5 . . ?
C44 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C44 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C57 C52 C53 120.1(6) . . ?
C57 C52 P3 123.3(6) . . ?
C53 C52 P3 116.5(5) . . ?
C54 C53 C52 120.4(5) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C53 C54 C55 118.9(5) . . ?
C53 C54 H54 120.5 . . ?
C55 C54 H54 120.5 . . ?
C56 C55 C54 121.3(8) . . ?
C56 C55 H55 119.3 . . ?
C54 C55 H55 119.3 . . ?
C55 C56 C57 119.6(8) . . ?
C55 C56 H56 120.2 . . ?
C57 C56 H56 120.2 . . ?
C56 C57 C52 119.7(7) . . ?
C56 C57 H57 120.2 . . ?
C52 C57 H57 120.2 . . ?
C53' C52' C57' 118.3(7) . . ?
C53' C52' P3 116.8(6) . . ?
C57' C52' P3 124.9(7) . . ?
C52' C53' C54' 120.8(5) . . ?
C52' C53' H53' 119.6 . . ?
C54' C53' H53' 119.6 . . ?
C55' C54' C53' 122.3(6) . . ?
C55' C54' H54' 118.8 . . ?
C53' C54' H54' 118.8 . . ?
C54' C55' C56' 117.6(9) . . ?
C54' C55' H55' 121.2 . . ?
C56' C55' H55' 121.2 . . ?
C55' C56' C57' 121.6(9) . . ?
C55' C56' H56' 119.2 . . ?
C57' C56' H56' 119.2 . . ?
C52' C57' C56' 119.4(8) . . ?
C52' C57' H57' 120.3 . . ?
C56' C57' H57' 120.3 . . ?
C59 C58 C63 118.93(17) . . ?
C59 C58 P3 123.71(14) . . ?
C63 C58 P3 116.95(15) . . ?
C58 C59 C60 119.99(19) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C61 C60 C59 120.5(2) . . ?
C61 C60 H60 119.7 . . ?
C59 C60 H60 119.7 . . ?
C62 C61 C60 119.80(19) . . ?
C62 C61 H61 120.1 . . ?
C60 C61 H61 120.1 . . ?
C61 C62 C63 120.1(2) . . ?
C61 C62 H62 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 C58 120.7(2) . . ?
C62 C63 H63 119.7 . . ?
C58 C63 H63 119.7 . . ?
C8 N1 C1 107.60(14) . . ?
C8 N1 P4 137.47(12) . . ?
C1 N1 P4 114.71(11) . . ?
C29 N2 C22 107.10(14) . . ?
C29 N2 P4 132.61(13) . . ?
C22 N2 P4 116.13(12) . . ?
C50 N3 C43 107.95(14) . . ?
C50 N3 P4 135.99(13) . . ?
C43 N3 P4 116.06(11) . . ?
C4S O1S C1S 109.8(2) . . ?
O1S C1S C2S 108.1(2) . . ?
O1S C1S H1S1 110.1 . . ?
C2S C1S H1S1 110.1 . . ?
O1S C1S H1S2 110.1 . . ?
C2S C1S H1S2 110.1 . . ?
H1S1 C1S H1S2 108.4 . . ?
C3S C2S C1S 104.4(2) . . ?
C3S C2S H2S1 110.9 . . ?
C1S C2S H2S1 110.9 . . ?
C3S C2S H2S2 110.9 . . ?
C1S C2S H2S2 110.9 . . ?
H2S1 C2S H2S2 108.9 . . ?
C2S C3S C4S 102.5(3) . . ?
C2S C3S H3S1 111.3 . . ?
C4S C3S H3S1 111.3 . . ?
C2S C3S H3S2 111.3 . . ?
C4S C3S H3S2 111.3 . . ?
H3S1 C3S H3S2 109.2 . . ?
O1S C4S C3S 108.0(2) . . ?
O1S C4S H4S1 110.1 . . ?
C3S C4S H4S1 110.1 . . ?
O1S C4S H4S2 110.1 . . ?
C3S C4S H4S2 110.1 . . ?
H4S1 C4S H4S2 108.4 . . ?
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 P4 2.1123(4) . ?
Rh1 P3 2.3004(5) . ?
Rh1 P1 2.3164(5) . ?
Rh1 P2 2.3604(4) . ?
Rh1 Cl1 2.4256(4) . ?
P1 C1 1.8194(18) . ?
P1 C10 1.8229(18) . ?
P1 C16 1.841(2) . ?
P2 C31 1.8277(18) . ?
P2 C22 1.8279(18) . ?
P2 C37 1.8343(18) . ?
P3 C58 1.8195(18) . ?
P3 C52' 1.820(9) . ?
P3 C43 1.8263(18) . ?
P3 C52 1.832(7) . ?
P4 N3 1.6871(15) . ?
P4 N1 1.7048(15) . ?
P4 N2 1.7071(15) . ?
C1 C2 1.363(2) . ?
C1 N1 1.424(2) . ?
C2 C3 1.442(3) . ?
C2 C9 1.503(2) . ?
C3 C4 1.405(2) . ?
C3 C8 1.411(2) . ?
C4 C5 1.376(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.395(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.387(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.393(3) . ?
C7 H7 0.9500 . ?
C8 N1 1.404(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C15 1.378(3) . ?
C10 C11 1.391(3) . ?
C11 C12 1.386(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.373(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.397(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.393(3) . ?
C16 C17 1.395(3) . ?
C17 C18 1.393(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.367(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.379(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.399(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.362(3) . ?
C22 N2 1.443(2) . ?
C23 C24 1.440(3) . ?
C23 C30 1.503(3) . ?
C24 C25 1.398(3) . ?
C24 C29 1.408(3) . ?
C25 C26 1.380(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.398(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.385(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.394(3) . ?
C28 H28 0.9500 . ?
C29 N2 1.411(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.392(3) . ?
C31 C36 1.398(2) . ?
C32 C33 1.389(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.382(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.384(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.383(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.390(3) . ?
C37 C42 1.399(3) . ?
C38 C39 1.394(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.384(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.386(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.386(3) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.364(3) . ?
C43 N3 1.428(2) . ?
C44 C45 1.444(3) . ?
C44 C51 1.496(3) . ?
C45 C50 1.405(3) . ?
C45 C46 1.406(2) . ?
C46 C47 1.380(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.400(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.384(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.394(3) . ?
C49 H49 0.9500 . ?
C50 N3 1.402(2) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C57 1.390(8) . ?
C52 C53 1.395(8) . ?
C53 C54 1.385(6) . ?
C53 H53 0.9500 . ?
C54 C55 1.387(8) . ?
C54 H54 0.9500 . ?
C55 C56 1.384(9) . ?
C55 H55 0.9500 . ?
C56 C57 1.390(8) . ?
C56 H56 0.9500 . ?
C57 H57 0.9500 . ?
C52' C53' 1.374(9) . ?
C52' C57' 1.402(9) . ?
C53' C54' 1.381(7) . ?
C53' H53' 0.9500 . ?
C54' C55' 1.366(10) . ?
C54' H54' 0.9500 . ?
C55' C56' 1.376(10) . ?
C55' H55' 0.9500 . ?
C56' C57' 1.405(9) . ?
C56' H56' 0.9500 . ?
C57' H57' 0.9500 . ?
C58 C59 1.384(3) . ?
C58 C63 1.397(3) . ?
C59 C60 1.393(3) . ?
C59 H59 0.9500 . ?
C60 C61 1.380(3) . ?
C60 H60 0.9500 . ?
C61 C62 1.378(3) . ?
C61 H61 0.9500 . ?
C62 C63 1.382(3) . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
O1S C4S 1.389(4) . ?
O1S C1S 1.397(3) . ?
C1S C2S 1.499(4) . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
C2S C3S 1.497(4) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
C3S C4S 1.498(5) . ?
C3S H3S1 0.9900 . ?
C3S H3S2 0.9900 . ?
C4S H4S1 0.9900 . ?
C4S H4S2 0.9900 . ?
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
P4 Rh1 P1 C1 -31.68(6) . . . . ?
P3 Rh1 P1 C1 44.11(6) . . . . ?
P2 Rh1 P1 C1 -110.15(6) . . . . ?
Cl1 Rh1 P1 C1 142.12(6) . . . . ?
P4 Rh1 P1 C10 -146.20(7) . . . . ?
P3 Rh1 P1 C10 -70.41(7) . . . . ?
P2 Rh1 P1 C10 135.32(7) . . . . ?
Cl1 Rh1 P1 C10 27.60(7) . . . . ?
P4 Rh1 P1 C16 78.46(8) . . . . ?
P3 Rh1 P1 C16 154.25(7) . . . . ?
P2 Rh1 P1 C16 -0.02(8) . . . . ?
Cl1 Rh1 P1 C16 -107.74(7) . . . . ?
P4 Rh1 P2 C31 -150.40(7) . . . . ?
P3 Rh1 P2 C31 129.80(7) . . . . ?
P1 Rh1 P2 C31 -73.35(7) . . . . ?
Cl1 Rh1 P2 C31 29.91(7) . . . . ?
P4 Rh1 P2 C22 -32.78(6) . . . . ?
P3 Rh1 P2 C22 -112.58(6) . . . . ?
P1 Rh1 P2 C22 44.27(6) . . . . ?
Cl1 Rh1 P2 C22 147.53(6) . . . . ?
P4 Rh1 P2 C37 77.47(7) . . . . ?
P3 Rh1 P2 C37 -2.33(7) . . . . ?
P1 Rh1 P2 C37 154.51(7) . . . . ?
Cl1 Rh1 P2 C37 -102.22(7) . . . . ?
P4 Rh1 P3 C58 95.04(7) . . . . ?
P1 Rh1 P3 C58 20.63(7) . . . . ?
P2 Rh1 P3 C58 174.53(7) . . . . ?
Cl1 Rh1 P3 C58 -79.12(7) . . . . ?
P4 Rh1 P3 C52' -134.5(3) . . . . ?
P1 Rh1 P3 C52' 151.1(3) . . . . ?
P2 Rh1 P3 C52' -55.0(3) . . . . ?
Cl1 Rh1 P3 C52' 51.4(3) . . . . ?
P4 Rh1 P3 C43 -20.14(6) . . . . ?
P1 Rh1 P3 C43 -94.55(6) . . . . ?
P2 Rh1 P3 C43 59.35(6) . . . . ?
Cl1 Rh1 P3 C43 165.70(6) . . . . ?
P4 Rh1 P3 C52 -140.9(2) . . . . ?
P1 Rh1 P3 C52 144.7(2) . . . . ?
P2 Rh1 P3 C52 -61.4(2) . . . . ?
Cl1 Rh1 P3 C52 45.0(2) . . . . ?
P3 Rh1 P4 N3 25.93(6) . . . . ?
P1 Rh1 P4 N3 153.24(6) . . . . ?
P2 Rh1 P4 N3 -90.98(6) . . . . ?
P3 Rh1 P4 N1 -93.01(6) . . . . ?
P1 Rh1 P4 N1 34.30(6) . . . . ?
P2 Rh1 P4 N1 150.08(6) . . . . ?
P3 Rh1 P4 N2 147.80(6) . . . . ?
P1 Rh1 P4 N2 -84.89(6) . . . . ?
P2 Rh1 P4 N2 30.89(6) . . . . ?
C10 P1 C1 C2 -27.4(2) . . . . ?
C16 P1 C1 C2 81.9(2) . . . . ?
Rh1 P1 C1 C2 -152.92(18) . . . . ?
C10 P1 C1 N1 150.98(13) . . . . ?
C16 P1 C1 N1 -99.74(13) . . . . ?
Rh1 P1 C1 N1 25.49(13) . . . . ?
N1 C1 C2 C3 -1.9(2) . . . . ?
P1 C1 C2 C3 176.52(15) . . . . ?
N1 C1 C2 C9 176.75(17) . . . . ?
P1 C1 C2 C9 -4.8(3) . . . . ?
C1 C2 C3 C4 -179.25(19) . . . . ?
C9 C2 C3 C4 2.0(3) . . . . ?
C1 C2 C3 C8 0.6(2) . . . . ?
C9 C2 C3 C8 -178.09(17) . . . . ?
C8 C3 C4 C5 -0.8(3) . . . . ?
C2 C3 C4 C5 179.0(2) . . . . ?
C3 C4 C5 C6 0.0(3) . . . . ?
C4 C5 C6 C7 0.8(3) . . . . ?
C5 C6 C7 C8 -0.6(3) . . . . ?
C6 C7 C8 N1 180.0(2) . . . . ?
C6 C7 C8 C3 -0.4(3) . . . . ?
C4 C3 C8 C7 1.1(3) . . . . ?
C2 C3 C8 C7 -178.84(17) . . . . ?
C4 C3 C8 N1 -179.19(16) . . . . ?
C2 C3 C8 N1 0.9(2) . . . . ?
C1 P1 C10 C15 116.33(17) . . . . ?
C16 P1 C10 C15 11.67(19) . . . . ?
Rh1 P1 C10 C15 -129.52(15) . . . . ?
C1 P1 C10 C11 -66.86(16) . . . . ?
C16 P1 C10 C11 -171.53(15) . . . . ?
Rh1 P1 C10 C11 47.28(16) . . . . ?
C15 C10 C11 C12 -2.0(3) . . . . ?
P1 C10 C11 C12 -178.94(15) . . . . ?
C10 C11 C12 C13 1.1(3) . . . . ?
C11 C12 C13 C14 0.6(3) . . . . ?
C12 C13 C14 C15 -1.3(4) . . . . ?
C11 C10 C15 C14 1.3(3) . . . . ?
P1 C10 C15 C14 178.03(17) . . . . ?
C13 C14 C15 C10 0.4(4) . . . . ?
C1 P1 C16 C21 165.50(16) . . . . ?
C10 P1 C16 C21 -86.93(17) . . . . ?
Rh1 P1 C16 C21 53.62(17) . . . . ?
C1 P1 C16 C17 -7.56(17) . . . . ?
C10 P1 C16 C17 100.01(16) . . . . ?
Rh1 P1 C16 C17 -119.44(15) . . . . ?
C21 C16 C17 C18 -0.7(3) . . . . ?
P1 C16 C17 C18 172.45(15) . . . . ?
C16 C17 C18 C19 -0.5(3) . . . . ?
C17 C18 C19 C20 1.6(3) . . . . ?
C18 C19 C20 C21 -1.7(4) . . . . ?
C17 C16 C21 C20 0.6(3) . . . . ?
P1 C16 C21 C20 -172.76(17) . . . . ?
C19 C20 C21 C16 0.5(3) . . . . ?
C31 P2 C22 C23 -11.3(2) . . . . ?
C37 P2 C22 C23 94.9(2) . . . . ?
Rh1 P2 C22 C23 -139.50(19) . . . . ?
C31 P2 C22 N2 160.09(12) . . . . ?
C37 P2 C22 N2 -93.75(13) . . . . ?
Rh1 P2 C22 N2 31.86(13) . . . . ?
N2 C22 C23 C24 -2.0(2) . . . . ?
P2 C22 C23 C24 169.65(15) . . . . ?
N2 C22 C23 C30 179.90(19) . . . . ?
P2 C22 C23 C30 -8.4(3) . . . . ?
C22 C23 C24 C25 -174.9(2) . . . . ?
C30 C23 C24 C25 3.3(3) . . . . ?
C22 C23 C24 C29 0.8(2) . . . . ?
C30 C23 C24 C29 179.02(18) . . . . ?
C29 C24 C25 C26 0.1(3) . . . . ?
C23 C24 C25 C26 175.4(2) . . . . ?
C24 C25 C26 C27 1.0(3) . . . . ?
C25 C26 C27 C28 -0.8(3) . . . . ?
C26 C27 C28 C29 -0.7(3) . . . . ?
C27 C28 C29 C24 1.8(3) . . . . ?
C27 C28 C29 N2 -176.45(18) . . . . ?
C25 C24 C29 C28 -1.6(3) . . . . ?
C23 C24 C29 C28 -177.86(17) . . . . ?
C25 C24 C29 N2 177.07(17) . . . . ?
C23 C24 C29 N2 0.8(2) . . . . ?
C22 P2 C31 C32 -104.51(15) . . . . ?
C37 P2 C31 C32 149.38(15) . . . . ?
Rh1 P2 C31 C32 9.37(17) . . . . ?
C22 P2 C31 C36 80.74(17) . . . . ?
C37 P2 C31 C36 -25.37(18) . . . . ?
Rh1 P2 C31 C36 -165.38(13) . . . . ?
C36 C31 C32 C33 -2.8(3) . . . . ?
P2 C31 C32 C33 -177.85(15) . . . . ?
C31 C32 C33 C34 2.0(3) . . . . ?
C32 C33 C34 C35 0.1(3) . . . . ?
C33 C34 C35 C36 -1.4(3) . . . . ?
C34 C35 C36 C31 0.5(3) . . . . ?
C32 C31 C36 C35 1.6(3) . . . . ?
P2 C31 C36 C35 176.27(15) . . . . ?
C31 P2 C37 C38 129.85(16) . . . . ?
C22 P2 C37 C38 19.31(17) . . . . ?
Rh1 P2 C37 C38 -90.01(16) . . . . ?
C31 P2 C37 C42 -55.24(16) . . . . ?
C22 P2 C37 C42 -165.79(14) . . . . ?
Rh1 P2 C37 C42 84.90(15) . . . . ?
C42 C37 C38 C39 -0.1(3) . . . . ?
P2 C37 C38 C39 174.85(15) . . . . ?
C37 C38 C39 C40 -0.1(3) . . . . ?
C38 C39 C40 C41 0.1(3) . . . . ?
C39 C40 C41 C42 0.0(3) . . . . ?
C40 C41 C42 C37 -0.2(3) . . . . ?
C38 C37 C42 C41 0.2(3) . . . . ?
P2 C37 C42 C41 -174.88(14) . . . . ?
C58 P3 C43 C44 77.9(2) . . . . ?
C52' P3 C43 C44 -31.2(4) . . . . ?
C52 P3 C43 C44 -31.2(3) . . . . ?
Rh1 P3 C43 C44 -160.18(18) . . . . ?
C58 P3 C43 N3 -110.57(13) . . . . ?
C52' P3 C43 N3 140.3(3) . . . . ?
C52 P3 C43 N3 140.4(3) . . . . ?
Rh1 P3 C43 N3 11.33(13) . . . . ?
N3 C43 C44 C45 -0.1(2) . . . . ?
P3 C43 C44 C45 171.69(15) . . . . ?
N3 C43 C44 C51 -176.40(18) . . . . ?
P3 C43 C44 C51 -4.6(3) . . . . ?
C43 C44 C45 C50 -1.1(2) . . . . ?
C51 C44 C45 C50 175.32(17) . . . . ?
C43 C44 C45 C46 -179.6(2) . . . . ?
C51 C44 C45 C46 -3.1(3) . . . . ?
C50 C45 C46 C47 -1.9(3) . . . . ?
C44 C45 C46 C47 176.47(19) . . . . ?
C45 C46 C47 C48 0.7(3) . . . . ?
C46 C47 C48 C49 0.9(3) . . . . ?
C47 C48 C49 C50 -1.2(3) . . . . ?
C48 C49 C50 N3 -178.88(18) . . . . ?
C48 C49 C50 C45 -0.1(3) . . . . ?
C46 C45 C50 C49 1.6(3) . . . . ?
C44 C45 C50 C49 -177.10(16) . . . . ?
C46 C45 C50 N3 -179.35(16) . . . . ?
C44 C45 C50 N3 1.95(19) . . . . ?
C58 P3 C52 C57 -26.8(3) . . . . ?
C52' P3 C52 C57 84(5) . . . . ?
C43 P3 C52 C57 83.9(3) . . . . ?
Rh1 P3 C52 C57 -156.6(3) . . . . ?
C58 P3 C52 C53 157.5(2) . . . . ?
C52' P3 C52 C53 -91(5) . . . . ?
C43 P3 C52 C53 -91.8(3) . . . . ?
Rh1 P3 C52 C53 27.7(3) . . . . ?
C57 C52 C53 C54 -0.09(14) . . . . ?
P3 C52 C53 C54 175.7(3) . . . . ?
C52 C53 C54 C55 -0.06(14) . . . . ?
C53 C54 C55 C56 0.1(3) . . . . ?
C54 C55 C56 C57 -0.1(4) . . . . ?
C55 C56 C57 C52 -0.1(4) . . . . ?
C53 C52 C57 C56 0.2(3) . . . . ?
P3 C52 C57 C56 -175.4(4) . . . . ?
C58 P3 C52' C53' -173.5(3) . . . . ?
C43 P3 C52' C53' -64.1(3) . . . . ?
C52 P3 C52' C53' 116(5) . . . . ?
Rh1 P3 C52' C53' 51.9(4) . . . . ?
C58 P3 C52' C57' 8.9(4) . . . . ?
C43 P3 C52' C57' 118.2(4) . . . . ?
C52 P3 C52' C57' -61(5) . . . . ?
Rh1 P3 C52' C57' -125.7(4) . . . . ?
C57' C52' C53' C54' 0.04(14) . . . . ?
P3 C52' C53' C54' -177.8(4) . . . . ?
C52' C53' C54' C55' -0.03(15) . . . . ?
C53' C54' C55' C56' 0.1(3) . . . . ?
C54' C55' C56' C57' -0.2(4) . . . . ?
C53' C52' C57' C56' -0.1(3) . . . . ?
P3 C52' C57' C56' 177.5(4) . . . . ?
C55' C56' C57' C52' 0.2(4) . . . . ?
C52' P3 C58 C59 122.8(2) . . . . ?
C43 P3 C58 C59 16.41(18) . . . . ?
C52 P3 C58 C59 128.7(2) . . . . ?
Rh1 P3 C58 C59 -98.44(16) . . . . ?
C52' P3 C58 C63 -64.7(2) . . . . ?
C43 P3 C58 C63 -171.03(15) . . . . ?
C52 P3 C58 C63 -58.8(2) . . . . ?
Rh1 P3 C58 C63 74.11(16) . . . . ?
C63 C58 C59 C60 1.3(3) . . . . ?
P3 C58 C59 C60 173.67(16) . . . . ?
C58 C59 C60 C61 0.2(3) . . . . ?
C59 C60 C61 C62 -1.3(3) . . . . ?
C60 C61 C62 C63 0.8(3) . . . . ?
C61 C62 C63 C58 0.7(3) . . . . ?
C59 C58 C63 C62 -1.7(3) . . . . ?
P3 C58 C63 C62 -174.61(17) . . . . ?
C7 C8 N1 C1 177.7(2) . . . . ?
C3 C8 N1 C1 -2.06(19) . . . . ?
C7 C8 N1 P4 3.5(3) . . . . ?
C3 C8 N1 P4 -176.19(15) . . . . ?
C2 C1 N1 C8 2.5(2) . . . . ?
P1 C1 N1 C8 -176.28(12) . . . . ?
C2 C1 N1 P4 178.18(12) . . . . ?
P1 C1 N1 P4 -0.65(17) . . . . ?
N3 P4 N1 C8 22.3(2) . . . . ?
N2 P4 N1 C8 -93.01(19) . . . . ?
Rh1 P4 N1 C8 145.28(17) . . . . ?
N3 P4 N1 C1 -151.53(12) . . . . ?
N2 P4 N1 C1 93.14(13) . . . . ?
Rh1 P4 N1 C1 -28.56(14) . . . . ?
C28 C29 N2 C22 176.48(18) . . . . ?
C24 C29 N2 C22 -1.97(19) . . . . ?
C28 C29 N2 P4 21.1(3) . . . . ?
C24 C29 N2 P4 -157.33(14) . . . . ?
C23 C22 N2 C29 2.53(19) . . . . ?
P2 C22 N2 C29 -171.05(12) . . . . ?
C23 C22 N2 P4 162.55(13) . . . . ?
P2 C22 N2 P4 -11.03(17) . . . . ?
N3 P4 N2 C29 -101.60(17) . . . . ?
N1 P4 N2 C29 11.89(18) . . . . ?
Rh1 P4 N2 C29 134.09(15) . . . . ?
N3 P4 N2 C22 104.74(13) . . . . ?
N1 P4 N2 C22 -141.77(12) . . . . ?
Rh1 P4 N2 C22 -19.57(14) . . . . ?
C49 C50 N3 C43 176.93(18) . . . . ?
C45 C50 N3 C43 -2.02(18) . . . . ?
C49 C50 N3 P4 -3.8(3) . . . . ?
C45 C50 N3 P4 177.30(14) . . . . ?
C44 C43 N3 C50 1.37(19) . . . . ?
P3 C43 N3 C50 -172.31(12) . . . . ?
C44 C43 N3 P4 -178.11(12) . . . . ?
P3 C43 N3 P4 8.21(17) . . . . ?
N1 P4 N3 C50 -83.54(18) . . . . ?
N2 P4 N3 C50 30.64(19) . . . . ?
Rh1 P4 N3 C50 154.00(15) . . . . ?
N1 P4 N3 C43 95.74(13) . . . . ?
N2 P4 N3 C43 -150.08(12) . . . . ?
Rh1 P4 N3 C43 -26.72(13) . . . . ?
C4S O1S C1S C2S 1.6(3) . . . . ?
O1S C1S C2S C3S 15.2(3) . . . . ?
C1S C2S C3S C4S -24.6(3) . . . . ?
C1S O1S C4S C3S -18.1(4) . . . . ?
C2S C3S C4S O1S 26.7(4) . . . . ?
