#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:18:24 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179240 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/60/4316027.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_4316027
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, F6 P, 3(C H2 Cl2)'
_chemical_formula_sum            'C66 H57 Cl7 F6 N3 P5 Rh'
_chemical_formula_weight         1512.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.963(2)
_cell_angle_beta                 110.874(2)
_cell_angle_gamma                101.654(3)
_cell_formula_units_Z            2
_cell_length_a                   13.2110(6)
_cell_length_b                   15.3608(8)
_cell_length_c                   17.6791(10)
_cell_measurement_reflns_used    47377
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.70
_cell_volume                     3243.8(3)
_computing_cell_refinement       'PEAKREF (Schreurs, 2005)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'EVALCCD (Duisenberg et al., 2003)'
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0194
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            83759
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'large blocks'
_exptl_crystal_F_000             1534
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.042
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     796
_refine_ls_number_reflns         14892
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0309
_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)+(0.0296P)²+4.7366P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0715
_refine_ls_wR_factor_ref         0.0759
_reflns_number_gt                12836
_reflns_number_total             14892
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic100221w_si_002_8.cif
_cod_data_source_block           8PF6
_cod_database_code               4316027
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.251225(12) 0.152806(9) 0.358993(9) 0.00861(4) Uani 1 1 d . . .
Cl1 Cl 0.27671(4) 0.05174(3) 0.45770(3) 0.01609(10) Uani 1 1 d . . .
P1 P 0.43345(4) 0.17861(3) 0.36713(3) 0.01039(9) Uani 1 1 d . . .
P2 P 0.23815(4) 0.27092(3) 0.44050(3) 0.01081(9) Uani 1 1 d . . .
P3 P 0.06603(4) 0.07634(3) 0.27870(3) 0.01040(9) Uani 1 1 d . . .
P4 P 0.22670(4) 0.24034(3) 0.26359(3) 0.00918(9) Uani 1 1 d . . .
C1 C 0.35842(16) 0.29088(13) 0.25741(11) 0.0117(4) Uani 1 1 d . . .
C2 C 0.39531(16) 0.35726(13) 0.21899(12) 0.0134(4) Uani 1 1 d . . .
C3 C 0.51427(16) 0.36880(13) 0.24579(12) 0.0151(4) Uani 1 1 d . . .
C4 C 0.59509(18) 0.42776(15) 0.22710(13) 0.0214(4) Uani 1 1 d . . .
H4 H 0.5748 0.4700 0.1911 0.026 Uiso 1 1 calc R . .
C5 C 0.70470(19) 0.42276(17) 0.26235(14) 0.0261(5) Uani 1 1 d . . .
H5 H 0.7608 0.4628 0.2512 0.031 Uiso 1 1 calc R . .
C6 C 0.73462(18) 0.35966(17) 0.31429(14) 0.0247(5) Uani 1 1 d . . .
H6 H 0.8107 0.3571 0.3368 0.030 Uiso 1 1 calc R . .
C7 C 0.65647(17) 0.30079(15) 0.33381(13) 0.0204(4) Uani 1 1 d . . .
H7 H 0.6770 0.2577 0.3688 0.024 Uiso 1 1 calc R . .
C8 C 0.54582(16) 0.30787(14) 0.29952(12) 0.0149(4) Uani 1 1 d . . .
C9 C 0.33127(18) 0.40962(14) 0.15957(13) 0.0184(4) Uani 1 1 d . . .
H9A H 0.3240 0.3872 0.1042 0.028 Uiso 1 1 calc R . .
H9B H 0.3709 0.4733 0.1741 0.028 Uiso 1 1 calc R . .
H9C H 0.2568 0.4028 0.1614 0.028 Uiso 1 1 calc R . .
C10 C 0.55635(15) 0.21450(13) 0.46069(11) 0.0120(4) Uani 1 1 d . . .
C11 C 0.61098(16) 0.15276(13) 0.50163(12) 0.0148(4) Uani 1 1 d . . .
H11 H 0.5854 0.0906 0.4794 0.018 Uiso 1 1 calc R . .
C12 C 0.70270(17) 0.18207(14) 0.57479(13) 0.0178(4) Uani 1 1 d . . .
H12 H 0.7390 0.1397 0.6030 0.021 Uiso 1 1 calc R . .
C13 C 0.74147(17) 0.27241(14) 0.60679(13) 0.0179(4) Uani 1 1 d . . .
H13 H 0.8045 0.2921 0.6568 0.022 Uiso 1 1 calc R . .
C14 C 0.68832(17) 0.33436(14) 0.56581(13) 0.0175(4) Uani 1 1 d . . .
H14 H 0.7158 0.3966 0.5874 0.021 Uiso 1 1 calc R . .
C15 C 0.59548(16) 0.30573(13) 0.49367(13) 0.0155(4) Uani 1 1 d . . .
H15 H 0.5583 0.3482 0.4665 0.019 Uiso 1 1 calc R . .
C16 C 0.44962(15) 0.08001(13) 0.31354(12) 0.0147(4) Uani 1 1 d . . .
C17 C 0.44015(16) -0.00170(14) 0.34428(14) 0.0182(4) Uani 1 1 d . . .
H17 H 0.4294 -0.0048 0.3945 0.022 Uiso 1 1 calc R . .
C18 C 0.44655(18) -0.07790(15) 0.30130(16) 0.0255(5) Uani 1 1 d . . .
H18 H 0.4418 -0.1329 0.3228 0.031 Uiso 1 1 calc R . .
C19 C 0.45981(19) -0.07444(17) 0.22713(16) 0.0304(6) Uani 1 1 d . . .
H19 H 0.4633 -0.1272 0.1977 0.036 Uiso 1 1 calc R . .
C20 C 0.46797(19) 0.00545(17) 0.19603(15) 0.0275(5) Uani 1 1 d . . .
H20 H 0.4772 0.0075 0.1452 0.033 Uiso 1 1 calc R . .
C21 C 0.46278(17) 0.08302(15) 0.23852(13) 0.0200(4) Uani 1 1 d . . .
H21 H 0.4682 0.1378 0.2167 0.024 Uiso 1 1 calc R . .
C22 C 0.16956(15) 0.32769(13) 0.29244(11) 0.0119(4) Uani 1 1 d . . .
C23 C 0.10279(16) 0.38005(13) 0.25136(12) 0.0143(4) Uani 1 1 d . . .
C24 C 0.09002(16) 0.43894(13) 0.31284(13) 0.0153(4) Uani 1 1 d . . .
C25 C 0.02981(17) 0.50521(14) 0.30614(14) 0.0197(4) Uani 1 1 d . . .
H25 H -0.0104 0.5195 0.2542 0.024 Uiso 1 1 calc R . .
C26 C 0.03043(18) 0.54908(14) 0.37702(15) 0.0225(5) Uani 1 1 d . . .
H26 H -0.0103 0.5940 0.3738 0.027 Uiso 1 1 calc R . .
C27 C 0.09014(18) 0.52848(14) 0.45380(14) 0.0202(4) Uani 1 1 d . . .
H27 H 0.0896 0.5604 0.5016 0.024 Uiso 1 1 calc R . .
C28 C 0.14988(17) 0.46311(14) 0.46219(13) 0.0181(4) Uani 1 1 d . . .
H28 H 0.1895 0.4490 0.5144 0.022 Uiso 1 1 calc R . .
C29 C 0.14926(16) 0.41892(13) 0.39042(12) 0.0141(4) Uani 1 1 d . . .
C30 C 0.04611(18) 0.37844(15) 0.16125(13) 0.0209(4) Uani 1 1 d . . .
H30A H 0.0622 0.3304 0.1313 0.031 Uiso 1 1 calc R . .
H30B H 0.0737 0.4364 0.1467 0.031 Uiso 1 1 calc R . .
H30C H -0.0347 0.3675 0.1467 0.031 Uiso 1 1 calc R . .
C31 C 0.13349(16) 0.24921(13) 0.48558(12) 0.0141(4) Uani 1 1 d . . .
C32 C 0.15973(19) 0.22289(15) 0.56293(14) 0.0214(4) Uani 1 1 d . . .
H32 H 0.2330 0.2167 0.5924 0.026 Uiso 1 1 calc R . .
C33 C 0.0795(2) 0.20573(17) 0.59690(15) 0.0274(5) Uani 1 1 d . . .
H33 H 0.0980 0.1877 0.6495 0.033 Uiso 1 1 calc R . .
C34 C -0.0272(2) 0.21469(15) 0.55480(15) 0.0261(5) Uani 1 1 d . . .
H34 H -0.0818 0.2036 0.5786 0.031 Uiso 1 1 calc R . .
C35 C -0.05422(18) 0.23984(14) 0.47792(15) 0.0227(5) Uani 1 1 d . . .
H35 H -0.1277 0.2460 0.4490 0.027 Uiso 1 1 calc R . .
C36 C 0.02463(17) 0.25617(13) 0.44254(13) 0.0178(4) Uani 1 1 d . . .
H36 H 0.0047 0.2721 0.3891 0.021 Uiso 1 1 calc R . .
C37 C 0.36386(16) 0.33000(13) 0.52556(12) 0.0133(4) Uani 1 1 d . . .
C38 C 0.41817(17) 0.28001(14) 0.58363(12) 0.0167(4) Uani 1 1 d . . .
H38 H 0.3926 0.2164 0.5753 0.020 Uiso 1 1 calc R . .
C39 C 0.50937(18) 0.32389(15) 0.65339(13) 0.0208(4) Uani 1 1 d . . .
H39 H 0.5443 0.2905 0.6940 0.025 Uiso 1 1 calc R . .
C40 C 0.54970(19) 0.41621(16) 0.66398(14) 0.0239(5) Uani 1 1 d . . .
H40 H 0.6125 0.4458 0.7117 0.029 Uiso 1 1 calc R . .
C41 C 0.49889(18) 0.46546(15) 0.60547(14) 0.0220(4) Uani 1 1 d . . .
H41 H 0.5277 0.5287 0.6126 0.026 Uiso 1 1 calc R . .
C42 C 0.40583(17) 0.42280(14) 0.53627(13) 0.0170(4) Uani 1 1 d . . .
H42 H 0.3708 0.4568 0.4963 0.020 Uiso 1 1 calc R . .
C43 C 0.12174(15) 0.17525(12) 0.17115(12) 0.0117(4) Uani 1 1 d . . .
C44 C 0.09691(16) 0.17025(13) 0.08902(12) 0.0137(4) Uani 1 1 d . . .
C45 C -0.01164(16) 0.10926(13) 0.04959(12) 0.0150(4) Uani 1 1 d . . .
C46 C -0.07841(18) 0.08065(14) -0.03309(13) 0.0196(4) Uani 1 1 d . . .
H46 H -0.0535 0.1010 -0.0745 0.024 Uiso 1 1 calc R . .
C47 C -0.18161(19) 0.02207(15) -0.05348(13) 0.0233(5) Uani 1 1 d . . .
H47 H -0.2283 0.0019 -0.1095 0.028 Uiso 1 1 calc R . .
C48 C -0.21800(18) -0.00776(15) 0.00726(14) 0.0230(5) Uani 1 1 d . . .
H48 H -0.2897 -0.0475 -0.0084 0.028 Uiso 1 1 calc R . .
C49 C -0.15285(17) 0.01883(14) 0.08986(13) 0.0192(4) Uani 1 1 d . . .
H49 H -0.1780 -0.0025 0.1308 0.023 Uiso 1 1 calc R . .
C50 C -0.04881(16) 0.07817(13) 0.11032(12) 0.0145(4) Uani 1 1 d . . .
C51 C 0.16183(18) 0.21738(14) 0.04361(13) 0.0194(4) Uani 1 1 d . . .
H51A H 0.1345 0.2703 0.0263 0.029 Uiso 1 1 calc R . .
H51B H 0.1526 0.1765 -0.0047 0.029 Uiso 1 1 calc R . .
H51C H 0.2411 0.2363 0.0794 0.029 Uiso 1 1 calc R . .
C52 C 0.05593(16) -0.04193(13) 0.25023(11) 0.0119(4) Uani 1 1 d . . .
C53 C -0.04418(17) -0.10778(14) 0.22773(12) 0.0164(4) Uani 1 1 d . . .
H53 H -0.1090 -0.0914 0.2295 0.020 Uiso 1 1 calc R . .
C54 C -0.04933(18) -0.19651(14) 0.20290(13) 0.0192(4) Uani 1 1 d . . .
H54 H -0.1177 -0.2407 0.1873 0.023 Uiso 1 1 calc R . .
C55 C 0.04510(18) -0.22103(14) 0.20066(13) 0.0186(4) Uani 1 1 d . . .
H55 H 0.0415 -0.2821 0.1840 0.022 Uiso 1 1 calc R . .
C56 C 0.14470(18) -0.15643(14) 0.22269(12) 0.0180(4) Uani 1 1 d . . .
H56 H 0.2093 -0.1732 0.2208 0.022 Uiso 1 1 calc R . .
C57 C 0.15014(16) -0.06741(13) 0.24743(11) 0.0141(4) Uani 1 1 d . . .
H57 H 0.2186 -0.0234 0.2626 0.017 Uiso 1 1 calc R . .
C58 C -0.05263(16) 0.07428(13) 0.30722(12) 0.0140(4) Uani 1 1 d . . .
C59 C -0.05803(18) 0.02743(14) 0.37105(13) 0.0179(4) Uani 1 1 d . . .
H59 H 0.0014 0.0015 0.3996 0.022 Uiso 1 1 calc R . .
C60 C -0.15037(19) 0.01871(15) 0.39280(14) 0.0244(5) Uani 1 1 d . . .
H60 H -0.1542 -0.0132 0.4362 0.029 Uiso 1 1 calc R . .
C61 C -0.23701(19) 0.05677(16) 0.35088(15) 0.0271(5) Uani 1 1 d . . .
H61 H -0.3012 0.0492 0.3646 0.033 Uiso 1 1 calc R . .
C62 C -0.23054(18) 0.10559(16) 0.28937(15) 0.0254(5) Uani 1 1 d . . .
H62 H -0.2893 0.1327 0.2620 0.031 Uiso 1 1 calc R . .
C63 C -0.13784(17) 0.11517(14) 0.26730(13) 0.0190(4) Uani 1 1 d . . .
H63 H -0.1329 0.1493 0.2254 0.023 Uiso 1 1 calc R . .
N1 N 0.45021(13) 0.26028(11) 0.30899(10) 0.0134(3) Uani 1 1 d . . .
N2 N 0.19966(13) 0.34942(11) 0.37889(10) 0.0123(3) Uani 1 1 d . . .
N3 N 0.03377(13) 0.11853(11) 0.18715(10) 0.0126(3) Uani 1 1 d . . .
P5 P 0.78090(5) 0.54094(4) 0.08305(4) 0.02157(12) Uani 1 1 d . . .
F1 F 0.80266(14) 0.44726(10) 0.11154(10) 0.0382(4) Uani 1 1 d . . .
F2 F 0.83073(15) 0.58697(10) 0.17674(9) 0.0398(4) Uani 1 1 d . . .
F3 F 0.75772(13) 0.63401(9) 0.05493(9) 0.0338(3) Uani 1 1 d . . .
F4 F 0.72991(15) 0.49310(11) -0.00971(9) 0.0435(4) Uani 1 1 d . . .
F5 F 0.90219(14) 0.56589(13) 0.08010(14) 0.0571(5) Uani 1 1 d . . .
F6 F 0.66034(14) 0.51472(12) 0.08777(11) 0.0463(4) Uani 1 1 d . . .
C1S C 0.1431(2) 0.6307(2) 0.06967(17) 0.0387(6) Uani 1 1 d . . .
H1S1 H 0.1517 0.5808 0.0358 0.046 Uiso 1 1 calc R . .
H1S2 H 0.0623 0.6235 0.0571 0.046 Uiso 1 1 calc R . .
Cl2 Cl 0.19699(8) 0.73328(6) 0.04432(5) 0.0545(2) Uani 1 1 d . . .
Cl3 Cl 0.21177(6) 0.62436(5) 0.17470(4) 0.03770(15) Uani 1 1 d . . .
C2S C 0.6297(2) 0.6956(2) 0.1760(2) 0.0494(8) Uani 1 1 d . . .
H2S1 H 0.6565 0.6907 0.1306 0.059 Uiso 1 1 calc R . .
H2S2 H 0.6651 0.6586 0.2165 0.059 Uiso 1 1 calc R . .
Cl4 Cl 0.48517(6) 0.65374(6) 0.13770(5) 0.04948(19) Uani 1 1 d . . .
Cl5 Cl 0.67053(6) 0.80879(5) 0.22297(5) 0.04320(17) Uani 1 1 d . . .
C3S C 0.5960(3) 0.2625(2) 0.0649(2) 0.0488(8) Uani 1 1 d . . .
H3S1 H 0.6119 0.2907 0.0204 0.059 Uiso 1 1 calc R . .
H3S2 H 0.6353 0.3061 0.1162 0.059 Uiso 1 1 calc R . .
Cl6 Cl 0.64707(12) 0.16539(9) 0.07631(9) 0.0976(4) Uani 1 1 d . . .
Cl7 Cl 0.45155(7) 0.23850(7) 0.04212(6) 0.0637(2) Uani 1 1 d . . .
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'
F F 0.0171 0.0103 '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'
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 P1 85.734(17) . . ?
P4 Rh1 P2 85.826(18) . . ?
P1 Rh1 P2 107.925(18) . . ?
P4 Rh1 P3 83.830(18) . . ?
P1 Rh1 P3 144.214(18) . . ?
P2 Rh1 P3 105.326(18) . . ?
P4 Rh1 Cl1 177.206(18) . . ?
P1 Rh1 Cl1 93.862(17) . . ?
P2 Rh1 Cl1 96.925(18) . . ?
P3 Rh1 Cl1 94.936(18) . . ?
N1 P1 C10 103.59(8) . . ?
N1 P1 C16 103.75(9) . . ?
C10 P1 C16 106.77(9) . . ?
N1 P1 Rh1 106.84(6) . . ?
C10 P1 Rh1 125.29(6) . . ?
C16 P1 Rh1 108.58(6) . . ?
N2 P2 C37 105.73(9) . . ?
N2 P2 C31 103.93(9) . . ?
C37 P2 C31 103.78(9) . . ?
N2 P2 Rh1 106.81(6) . . ?
C37 P2 Rh1 117.22(6) . . ?
C31 P2 Rh1 118.01(6) . . ?
N3 P3 C58 105.23(9) . . ?
N3 P3 C52 104.37(8) . . ?
C58 P3 C52 103.37(9) . . ?
N3 P3 Rh1 105.79(6) . . ?
C58 P3 Rh1 125.37(7) . . ?
C52 P3 Rh1 110.87(6) . . ?
C43 P4 C22 106.42(9) . . ?
C43 P4 C1 115.83(9) . . ?
C22 P4 C1 108.84(9) . . ?
C43 P4 Rh1 107.53(6) . . ?
C22 P4 Rh1 107.60(6) . . ?
C1 P4 Rh1 110.28(6) . . ?
C2 C1 N1 109.90(16) . . ?
C2 C1 P4 135.73(15) . . ?
N1 C1 P4 114.19(13) . . ?
C1 C2 C3 106.44(17) . . ?
C1 C2 C9 129.82(18) . . ?
C3 C2 C9 123.73(17) . . ?
C8 C3 C4 120.13(19) . . ?
C8 C3 C2 108.50(17) . . ?
C4 C3 C2 131.37(19) . . ?
C5 C4 C3 118.2(2) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
C4 C5 C6 121.0(2) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 121.9(2) . . ?
C7 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C6 C7 C8 116.8(2) . . ?
C6 C7 H7 121.6 . . ?
C8 C7 H7 121.6 . . ?
C3 C8 N1 107.94(17) . . ?
C3 C8 C7 121.94(18) . . ?
N1 C8 C7 130.12(18) . . ?
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 . . ?
C11 C10 C15 119.35(18) . . ?
C11 C10 P1 121.38(15) . . ?
C15 C10 P1 119.25(15) . . ?
C12 C11 C10 120.00(19) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C13 C12 C11 120.38(19) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C12 C13 C14 119.91(19) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.21(19) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C10 120.13(19) . . ?
C14 C15 H15 119.9 . . ?
C10 C15 H15 119.9 . . ?
C21 C16 C17 119.44(19) . . ?
C21 C16 P1 120.62(16) . . ?
C17 C16 P1 119.75(16) . . ?
C18 C17 C16 119.8(2) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 120.5(2) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C18 120.1(2) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 120.5(2) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C16 119.7(2) . . ?
C20 C21 H21 120.1 . . ?
C16 C21 H21 120.1 . . ?
C23 C22 N2 110.45(16) . . ?
C23 C22 P4 135.28(15) . . ?
N2 C22 P4 114.27(13) . . ?
C22 C23 C24 106.47(17) . . ?
C22 C23 C30 129.84(18) . . ?
C24 C23 C30 123.63(18) . . ?
C25 C24 C29 120.03(19) . . ?
C25 C24 C23 131.5(2) . . ?
C29 C24 C23 108.48(17) . . ?
C26 C25 C24 118.2(2) . . ?
C26 C25 H25 120.9 . . ?
C24 C25 H25 120.9 . . ?
C25 C26 C27 121.04(19) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 122.0(2) . . ?
C28 C27 H27 119.0 . . ?
C26 C27 H27 119.0 . . ?
C27 C28 C29 116.8(2) . . ?
C27 C28 H28 121.6 . . ?
C29 C28 H28 121.6 . . ?
C28 C29 N2 130.17(19) . . ?
C28 C29 C24 121.90(18) . . ?
N2 C29 C24 107.91(17) . . ?
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 118.94(19) . . ?
C32 C31 P2 120.47(16) . . ?
C36 C31 P2 120.57(15) . . ?
C33 C32 C31 120.3(2) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 120.4(2) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 119.7(2) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 H34 120.2 . . ?
C34 C35 C36 120.7(2) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C35 C36 C31 119.9(2) . . ?
C35 C36 H36 120.0 . . ?
C31 C36 H36 120.0 . . ?
C42 C37 C38 119.60(18) . . ?
C42 C37 P2 122.41(15) . . ?
C38 C37 P2 117.96(15) . . ?
C39 C38 C37 119.71(19) . . ?
C39 C38 H38 120.1 . . ?
C37 C38 H38 120.1 . . ?
C40 C39 C38 120.2(2) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C41 C40 C39 120.3(2) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 120.2(2) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C41 C42 C37 119.93(19) . . ?
C41 C42 H42 120.0 . . ?
C37 C42 H42 120.0 . . ?
C44 C43 N3 110.80(16) . . ?
C44 C43 P4 137.65(15) . . ?
N3 C43 P4 111.21(13) . . ?
C43 C44 C45 106.24(17) . . ?
C43 C44 C51 130.08(18) . . ?
C45 C44 C51 123.67(18) . . ?
C46 C45 C50 120.33(19) . . ?
C46 C45 C44 131.07(19) . . ?
C50 C45 C44 108.60(17) . . ?
C47 C46 C45 118.5(2) . . ?
C47 C46 H46 120.8 . . ?
C45 C46 H46 120.8 . . ?
C46 C47 C48 120.7(2) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C49 C48 C47 122.0(2) . . ?
C49 C48 H48 119.0 . . ?
C47 C48 H48 119.0 . . ?
C48 C49 C50 117.2(2) . . ?
C48 C49 H49 121.4 . . ?
C50 C49 H49 121.4 . . ?
C49 C50 C45 121.28(19) . . ?
C49 C50 N3 130.63(19) . . ?
C45 C50 N3 108.08(17) . . ?
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 118.86(18) . . ?
C57 C52 P3 118.73(15) . . ?
C53 C52 P3 122.35(15) . . ?
C54 C53 C52 120.42(19) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C53 C54 C55 120.14(19) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 H54 119.9 . . ?
C56 C55 C54 119.99(19) . . ?
C56 C55 H55 120.0 . . ?
C54 C55 H55 120.0 . . ?
C57 C56 C55 120.05(19) . . ?
C57 C56 H56 120.0 . . ?
C55 C56 H56 120.0 . . ?
C56 C57 C52 120.54(19) . . ?
C56 C57 H57 119.7 . . ?
C52 C57 H57 119.7 . . ?
C63 C58 C59 120.02(18) . . ?
C63 C58 P3 122.89(16) . . ?
C59 C58 P3 117.07(15) . . ?
C60 C59 C58 120.0(2) . . ?
C60 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C61 C60 C59 119.8(2) . . ?
C61 C60 H60 120.1 . . ?
C59 C60 H60 120.1 . . ?
C62 C61 C60 120.5(2) . . ?
C62 C61 H61 119.8 . . ?
C60 C61 H61 119.8 . . ?
C61 C62 C63 120.2(2) . . ?
C61 C62 H62 119.9 . . ?
C63 C62 H62 119.9 . . ?
C58 C63 C62 119.5(2) . . ?
C58 C63 H63 120.3 . . ?
C62 C63 H63 120.3 . . ?
C8 N1 C1 107.17(15) . . ?
C8 N1 P1 130.85(14) . . ?
C1 N1 P1 121.98(13) . . ?
C29 N2 C22 106.70(15) . . ?
C29 N2 P2 129.05(14) . . ?
C22 N2 P2 119.26(13) . . ?
C50 N3 C43 106.28(15) . . ?
C50 N3 P3 128.37(13) . . ?
C43 N3 P3 118.69(13) . . ?
F4 P5 F5 90.48(11) . . ?
F4 P5 F6 90.25(10) . . ?
F5 P5 F6 178.66(11) . . ?
F4 P5 F2 178.69(10) . . ?
F5 P5 F2 90.34(11) . . ?
F6 P5 F2 88.90(10) . . ?
F4 P5 F3 90.94(8) . . ?
F5 P5 F3 91.35(10) . . ?
F6 P5 F3 89.77(9) . . ?
F2 P5 F3 90.06(8) . . ?
F4 P5 F1 89.19(9) . . ?
F5 P5 F1 89.42(10) . . ?
F6 P5 F1 89.46(9) . . ?
F2 P5 F1 89.80(8) . . ?
F3 P5 F1 179.22(9) . . ?
Cl2 C1S Cl3 111.67(15) . . ?
Cl2 C1S H1S1 109.3 . . ?
Cl3 C1S H1S1 109.3 . . ?
Cl2 C1S H1S2 109.3 . . ?
Cl3 C1S H1S2 109.3 . . ?
H1S1 C1S H1S2 107.9 . . ?
Cl4 C2S Cl5 112.15(16) . . ?
Cl4 C2S H2S1 109.2 . . ?
Cl5 C2S H2S1 109.2 . . ?
Cl4 C2S H2S2 109.2 . . ?
Cl5 C2S H2S2 109.2 . . ?
H2S1 C2S H2S2 107.9 . . ?
Cl6 C3S Cl7 111.84(19) . . ?
Cl6 C3S H3S1 109.2 . . ?
Cl7 C3S H3S1 109.2 . . ?
Cl6 C3S H3S2 109.2 . . ?
Cl7 C3S H3S2 109.2 . . ?
H3S1 C3S H3S2 107.9 . . ?
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 2.2040(5) . ?
Rh1 P1 2.3093(5) . ?
Rh1 P2 2.3110(5) . ?
Rh1 P3 2.3482(5) . ?
Rh1 Cl1 2.3950(5) . ?
P1 N1 1.7052(16) . ?
P1 C10 1.8096(19) . ?
P1 C16 1.821(2) . ?
P2 N2 1.7127(17) . ?
P2 C37 1.807(2) . ?
P2 C31 1.815(2) . ?
P3 N3 1.7279(16) . ?
P3 C58 1.8050(19) . ?
P3 C52 1.8165(19) . ?
P4 C43 1.7867(19) . ?
P4 C22 1.7943(19) . ?
P4 C1 1.8012(19) . ?
C1 C2 1.367(3) . ?
C1 N1 1.423(2) . ?
C2 C3 1.439(3) . ?
C2 C9 1.492(3) . ?
C3 C8 1.397(3) . ?
C3 C4 1.404(3) . ?
C4 C5 1.378(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.399(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.387(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.399(3) . ?
C7 H7 0.9500 . ?
C8 N1 1.397(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.394(3) . ?
C10 C15 1.397(3) . ?
C11 C12 1.388(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.381(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.388(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.384(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.400(3) . ?
C16 C17 1.402(3) . ?
C17 C18 1.385(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.379(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.391(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.365(3) . ?
C22 N2 1.431(2) . ?
C23 C24 1.444(3) . ?
C23 C30 1.495(3) . ?
C24 C25 1.400(3) . ?
C24 C29 1.407(3) . ?
C25 C26 1.378(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.401(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.382(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.394(3) . ?
C28 H28 0.9500 . ?
C29 N2 1.407(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.396(3) . ?
C31 C36 1.397(3) . ?
C32 C33 1.384(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.380(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.381(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.394(3) . ?
C37 C38 1.402(3) . ?
C38 C39 1.387(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.384(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.383(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.389(3) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.363(3) . ?
C43 N3 1.431(2) . ?
C44 C45 1.440(3) . ?
C44 C51 1.491(3) . ?
C45 C46 1.394(3) . ?
C45 C50 1.405(3) . ?
C46 C47 1.381(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.393(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.386(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.394(3) . ?
C49 H49 0.9500 . ?
C50 N3 1.405(2) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C57 1.394(3) . ?
C52 C53 1.400(3) . ?
C53 C54 1.383(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.387(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.386(3) . ?
C55 H55 0.9500 . ?
C56 C57 1.386(3) . ?
C56 H56 0.9500 . ?
C57 H57 0.9500 . ?
C58 C63 1.393(3) . ?
C58 C59 1.395(3) . ?
C59 C60 1.389(3) . ?
C59 H59 0.9500 . ?
C60 C61 1.388(3) . ?
C60 H60 0.9500 . ?
C61 C62 1.380(4) . ?
C61 H61 0.9500 . ?
C62 C63 1.396(3) . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
P5 F4 1.5903(16) . ?
P5 F5 1.5909(17) . ?
P5 F6 1.5957(16) . ?
P5 F2 1.5968(16) . ?
P5 F3 1.5973(15) . ?
P5 F1 1.6035(15) . ?
C1S Cl2 1.751(3) . ?
C1S Cl3 1.772(3) . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
C2S Cl4 1.743(3) . ?
C2S Cl5 1.762(3) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
C3S Cl6 1.753(3) . ?
C3S Cl7 1.757(3) . ?
C3S H3S1 0.9900 . ?
C3S H3S2 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 N1 8.70(6) . . . . ?
P2 Rh1 P1 N1 -75.51(7) . . . . ?
P3 Rh1 P1 N1 81.97(7) . . . . ?
Cl1 Rh1 P1 N1 -174.07(6) . . . . ?
P4 Rh1 P1 C10 129.70(8) . . . . ?
P2 Rh1 P1 C10 45.49(8) . . . . ?
P3 Rh1 P1 C10 -157.03(8) . . . . ?
Cl1 Rh1 P1 C10 -53.07(8) . . . . ?
P4 Rh1 P1 C16 -102.64(7) . . . . ?
P2 Rh1 P1 C16 173.15(7) . . . . ?
P3 Rh1 P1 C16 -29.36(8) . . . . ?
Cl1 Rh1 P1 C16 74.59(7) . . . . ?
P4 Rh1 P2 N2 7.73(6) . . . . ?
P1 Rh1 P2 N2 91.88(6) . . . . ?
P3 Rh1 P2 N2 -74.70(6) . . . . ?
Cl1 Rh1 P2 N2 -171.77(6) . . . . ?
P4 Rh1 P2 C37 -110.56(7) . . . . ?
P1 Rh1 P2 C37 -26.41(8) . . . . ?
P3 Rh1 P2 C37 167.01(7) . . . . ?
Cl1 Rh1 P2 C37 69.93(7) . . . . ?
P4 Rh1 P2 C31 124.19(8) . . . . ?
P1 Rh1 P2 C31 -151.66(8) . . . . ?
P3 Rh1 P2 C31 41.76(8) . . . . ?
Cl1 Rh1 P2 C31 -55.31(8) . . . . ?
P4 Rh1 P3 N3 11.62(6) . . . . ?
P1 Rh1 P3 N3 -62.24(7) . . . . ?
P2 Rh1 P3 N3 95.57(6) . . . . ?
Cl1 Rh1 P3 N3 -165.86(6) . . . . ?
P4 Rh1 P3 C58 -110.76(8) . . . . ?
P1 Rh1 P3 C58 175.38(8) . . . . ?
P2 Rh1 P3 C58 -26.82(8) . . . . ?
Cl1 Rh1 P3 C58 71.76(8) . . . . ?
P4 Rh1 P3 C52 124.19(7) . . . . ?
P1 Rh1 P3 C52 50.33(7) . . . . ?
P2 Rh1 P3 C52 -151.87(7) . . . . ?
Cl1 Rh1 P3 C52 -53.29(7) . . . . ?
P1 Rh1 P4 C43 119.58(7) . . . . ?
P2 Rh1 P4 C43 -132.06(7) . . . . ?
P3 Rh1 P4 C43 -26.14(7) . . . . ?
P1 Rh1 P4 C22 -126.14(7) . . . . ?
P2 Rh1 P4 C22 -17.79(7) . . . . ?
P3 Rh1 P4 C22 88.14(7) . . . . ?
P1 Rh1 P4 C1 -7.56(7) . . . . ?
P2 Rh1 P4 C1 100.79(7) . . . . ?
P3 Rh1 P4 C1 -153.28(7) . . . . ?
C43 P4 C1 C2 67.9(2) . . . . ?
C22 P4 C1 C2 -51.9(2) . . . . ?
Rh1 P4 C1 C2 -169.71(19) . . . . ?
C43 P4 C1 N1 -117.63(14) . . . . ?
C22 P4 C1 N1 122.57(14) . . . . ?
Rh1 P4 C1 N1 4.75(15) . . . . ?
N1 C1 C2 C3 0.8(2) . . . . ?
P4 C1 C2 C3 175.46(17) . . . . ?
N1 C1 C2 C9 179.92(19) . . . . ?
P4 C1 C2 C9 -5.4(4) . . . . ?
C1 C2 C3 C8 0.6(2) . . . . ?
C9 C2 C3 C8 -178.61(19) . . . . ?
C1 C2 C3 C4 -179.2(2) . . . . ?
C9 C2 C3 C4 1.6(4) . . . . ?
C8 C3 C4 C5 0.7(3) . . . . ?
C2 C3 C4 C5 -179.6(2) . . . . ?
C3 C4 C5 C6 1.1(4) . . . . ?
C4 C5 C6 C7 -1.2(4) . . . . ?
C5 C6 C7 C8 -0.5(4) . . . . ?
C4 C3 C8 N1 178.06(18) . . . . ?
C2 C3 C8 N1 -1.7(2) . . . . ?
C4 C3 C8 C7 -2.5(3) . . . . ?
C2 C3 C8 C7 177.74(19) . . . . ?
C6 C7 C8 C3 2.3(3) . . . . ?
C6 C7 C8 N1 -178.3(2) . . . . ?
N1 P1 C10 C11 -141.63(16) . . . . ?
C16 P1 C10 C11 -32.46(18) . . . . ?
Rh1 P1 C10 C11 95.94(16) . . . . ?
N1 P1 C10 C15 40.08(17) . . . . ?
C16 P1 C10 C15 149.25(16) . . . . ?
Rh1 P1 C10 C15 -82.35(16) . . . . ?
C15 C10 C11 C12 0.6(3) . . . . ?
P1 C10 C11 C12 -177.72(15) . . . . ?
C10 C11 C12 C13 -1.0(3) . . . . ?
C11 C12 C13 C14 0.2(3) . . . . ?
C12 C13 C14 C15 1.1(3) . . . . ?
C13 C14 C15 C10 -1.5(3) . . . . ?
C11 C10 C15 C14 0.7(3) . . . . ?
P1 C10 C15 C14 179.02(15) . . . . ?
N1 P1 C16 C21 -4.60(18) . . . . ?
C10 P1 C16 C21 -113.66(17) . . . . ?
Rh1 P1 C16 C21 108.79(16) . . . . ?
N1 P1 C16 C17 -179.61(15) . . . . ?
C10 P1 C16 C17 71.34(17) . . . . ?
Rh1 P1 C16 C17 -66.22(16) . . . . ?
C21 C16 C17 C18 1.5(3) . . . . ?
P1 C16 C17 C18 176.59(16) . . . . ?
C16 C17 C18 C19 -1.4(3) . . . . ?
C17 C18 C19 C20 0.7(3) . . . . ?
C18 C19 C20 C21 -0.1(3) . . . . ?
C19 C20 C21 C16 0.2(3) . . . . ?
C17 C16 C21 C20 -0.9(3) . . . . ?
P1 C16 C21 C20 -175.97(16) . . . . ?
C43 P4 C22 C23 -37.2(2) . . . . ?
C1 P4 C22 C23 88.3(2) . . . . ?
Rh1 P4 C22 C23 -152.22(19) . . . . ?
C43 P4 C22 N2 142.84(13) . . . . ?
C1 P4 C22 N2 -91.68(15) . . . . ?
Rh1 P4 C22 N2 27.83(15) . . . . ?
N2 C22 C23 C24 0.9(2) . . . . ?
P4 C22 C23 C24 -179.08(16) . . . . ?
N2 C22 C23 C30 -176.3(2) . . . . ?
P4 C22 C23 C30 3.7(4) . . . . ?
C22 C23 C24 C25 -179.0(2) . . . . ?
C30 C23 C24 C25 -1.6(3) . . . . ?
C22 C23 C24 C29 -0.9(2) . . . . ?
C30 C23 C24 C29 176.53(19) . . . . ?
C29 C24 C25 C26 -0.2(3) . . . . ?
C23 C24 C25 C26 177.7(2) . . . . ?
C24 C25 C26 C27 0.4(3) . . . . ?
C25 C26 C27 C28 -0.7(3) . . . . ?
C26 C27 C28 C29 0.8(3) . . . . ?
C27 C28 C29 N2 -178.83(19) . . . . ?
C27 C28 C29 C24 -0.6(3) . . . . ?
C25 C24 C29 C28 0.3(3) . . . . ?
C23 C24 C29 C28 -178.05(18) . . . . ?
C25 C24 C29 N2 178.91(17) . . . . ?
C23 C24 C29 N2 0.5(2) . . . . ?
N2 P2 C31 C32 -151.00(17) . . . . ?
C37 P2 C31 C32 -40.61(19) . . . . ?
Rh1 P2 C31 C32 90.99(17) . . . . ?
N2 P2 C31 C36 30.75(18) . . . . ?
C37 P2 C31 C36 141.15(16) . . . . ?
Rh1 P2 C31 C36 -87.25(17) . . . . ?
C36 C31 C32 C33 -1.3(3) . . . . ?
P2 C31 C32 C33 -179.52(18) . . . . ?
C31 C32 C33 C34 -0.2(4) . . . . ?
C32 C33 C34 C35 0.8(4) . . . . ?
C33 C34 C35 C36 0.0(3) . . . . ?
C34 C35 C36 C31 -1.5(3) . . . . ?
C32 C31 C36 C35 2.1(3) . . . . ?
P2 C31 C36 C35 -179.68(16) . . . . ?
N2 P2 C37 C42 5.94(19) . . . . ?
C31 P2 C37 C42 -103.12(17) . . . . ?
Rh1 P2 C37 C42 124.82(15) . . . . ?
N2 P2 C37 C38 -176.03(15) . . . . ?
C31 P2 C37 C38 74.91(17) . . . . ?
Rh1 P2 C37 C38 -57.16(17) . . . . ?
C42 C37 C38 C39 3.5(3) . . . . ?
P2 C37 C38 C39 -174.54(16) . . . . ?
C37 C38 C39 C40 -2.8(3) . . . . ?
C38 C39 C40 C41 0.5(3) . . . . ?
C39 C40 C41 C42 1.1(3) . . . . ?
C40 C41 C42 C37 -0.3(3) . . . . ?
C38 C37 C42 C41 -2.0(3) . . . . ?
P2 C37 C42 C41 176.02(16) . . . . ?
C22 P4 C43 C44 97.3(2) . . . . ?
C1 P4 C43 C44 -23.8(3) . . . . ?
Rh1 P4 C43 C44 -147.6(2) . . . . ?
C22 P4 C43 N3 -75.14(14) . . . . ?
C1 P4 C43 N3 163.75(12) . . . . ?
Rh1 P4 C43 N3 39.92(14) . . . . ?
N3 C43 C44 C45 0.8(2) . . . . ?
P4 C43 C44 C45 -171.67(17) . . . . ?
N3 C43 C44 C51 179.33(19) . . . . ?
P4 C43 C44 C51 6.8(4) . . . . ?
C43 C44 C45 C46 178.7(2) . . . . ?
C51 C44 C45 C46 0.1(3) . . . . ?
C43 C44 C45 C50 -0.7(2) . . . . ?
C51 C44 C45 C50 -179.27(18) . . . . ?
C50 C45 C46 C47 0.6(3) . . . . ?
C44 C45 C46 C47 -178.7(2) . . . . ?
C45 C46 C47 C48 -0.1(3) . . . . ?
C46 C47 C48 C49 -0.6(3) . . . . ?
C47 C48 C49 C50 0.8(3) . . . . ?
C48 C49 C50 C45 -0.3(3) . . . . ?
C48 C49 C50 N3 178.2(2) . . . . ?
C46 C45 C50 C49 -0.4(3) . . . . ?
C44 C45 C50 C49 179.01(18) . . . . ?
C46 C45 C50 N3 -179.20(18) . . . . ?
C44 C45 C50 N3 0.2(2) . . . . ?
N3 P3 C52 C57 88.44(16) . . . . ?
C58 P3 C52 C57 -161.70(15) . . . . ?
Rh1 P3 C52 C57 -25.03(17) . . . . ?
N3 P3 C52 C53 -88.81(17) . . . . ?
C58 P3 C52 C53 21.04(18) . . . . ?
Rh1 P3 C52 C53 157.72(14) . . . . ?
C57 C52 C53 C54 -0.2(3) . . . . ?
P3 C52 C53 C54 177.04(16) . . . . ?
C52 C53 C54 C55 0.4(3) . . . . ?
C53 C54 C55 C56 -0.5(3) . . . . ?
C54 C55 C56 C57 0.4(3) . . . . ?
C55 C56 C57 C52 -0.2(3) . . . . ?
C53 C52 C57 C56 0.1(3) . . . . ?
P3 C52 C57 C56 -177.29(15) . . . . ?
N3 P3 C58 C63 -10.24(19) . . . . ?
C52 P3 C58 C63 -119.45(17) . . . . ?
Rh1 P3 C58 C63 112.39(16) . . . . ?
N3 P3 C58 C59 168.30(15) . . . . ?
C52 P3 C58 C59 59.08(17) . . . . ?
Rh1 P3 C58 C59 -69.08(17) . . . . ?
C63 C58 C59 C60 2.4(3) . . . . ?
P3 C58 C59 C60 -176.19(16) . . . . ?
C58 C59 C60 C61 0.0(3) . . . . ?
C59 C60 C61 C62 -2.0(3) . . . . ?
C60 C61 C62 C63 1.7(4) . . . . ?
C59 C58 C63 C62 -2.7(3) . . . . ?
P3 C58 C63 C62 175.78(16) . . . . ?
C61 C62 C63 C58 0.7(3) . . . . ?
C3 C8 N1 C1 2.2(2) . . . . ?
C7 C8 N1 C1 -177.2(2) . . . . ?
C3 C8 N1 P1 -178.82(15) . . . . ?
C7 C8 N1 P1 1.8(3) . . . . ?
C2 C1 N1 C8 -1.9(2) . . . . ?
P4 C1 N1 C8 -177.80(13) . . . . ?
C2 C1 N1 P1 179.01(14) . . . . ?
P4 C1 N1 P1 3.1(2) . . . . ?
C10 P1 N1 C8 38.2(2) . . . . ?
C16 P1 N1 C8 -73.17(19) . . . . ?
Rh1 P1 N1 C8 172.19(17) . . . . ?
C10 P1 N1 C1 -142.92(15) . . . . ?
C16 P1 N1 C1 105.68(16) . . . . ?
Rh1 P1 N1 C1 -8.96(16) . . . . ?
C28 C29 N2 C22 178.4(2) . . . . ?
C24 C29 N2 C22 0.0(2) . . . . ?
C28 C29 N2 P2 24.2(3) . . . . ?
C24 C29 N2 P2 -154.23(15) . . . . ?
C23 C22 N2 C29 -0.6(2) . . . . ?
P4 C22 N2 C29 179.41(13) . . . . ?
C23 C22 N2 P2 156.66(14) . . . . ?
P4 C22 N2 P2 -23.37(19) . . . . ?
C37 P2 N2 C29 -75.36(18) . . . . ?
C31 P2 N2 C29 33.60(19) . . . . ?
Rh1 P2 N2 C29 159.08(15) . . . . ?
C37 P2 N2 C22 133.17(14) . . . . ?
C31 P2 N2 C22 -117.88(15) . . . . ?
Rh1 P2 N2 C22 7.60(15) . . . . ?
C49 C50 N3 C43 -178.4(2) . . . . ?
C45 C50 N3 C43 0.3(2) . . . . ?
C49 C50 N3 P3 31.3(3) . . . . ?
C45 C50 N3 P3 -150.12(15) . . . . ?
C44 C43 N3 C50 -0.7(2) . . . . ?
P4 C43 N3 C50 173.89(12) . . . . ?
C44 C43 N3 P3 153.09(14) . . . . ?
P4 C43 N3 P3 -32.33(18) . . . . ?
C58 P3 N3 C50 -68.24(18) . . . . ?
C52 P3 N3 C50 40.25(18) . . . . ?
Rh1 P3 N3 C50 157.30(15) . . . . ?
C58 P3 N3 C43 144.51(14) . . . . ?
C52 P3 N3 C43 -107.00(15) . . . . ?
Rh1 P3 N3 C43 10.04(15) . . . . ?
