#------------------------------------------------------------------------------
#$Date: 2020-11-04 03:15:21 +0200 (Wed, 04 Nov 2020) $
#$Revision: 258696 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/81/4518122.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_4518122
loop_
_publ_author_name
'Takaya, Jun'
'Ogawa, Koki'
'Nakaya, Ryota'
'Iwasawa, Nobuharu'
_publ_section_title
;
 Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine
 Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand
;
_journal_issue                   20
_journal_name_full               'ACS Catalysis'
_journal_page_first              12223
_journal_page_last               12228
_journal_paper_doi               10.1021/acscatal.0c02779
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety
'C57 H45 N3 P2 Ga Rh Cl2', 'Ga Cl4', 'C4 H10 O', 'C2 O0.5'
_chemical_formula_sum            'C126 H110 Cl12 Ga4 N6 O3 P6 Rh2'
_chemical_formula_weight         2852.11
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90.5378(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   37.41790(10)
_cell_length_b                   14.68540(10)
_cell_length_c                   22.68860(10)
_cell_measurement_reflns_used    56597
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      76.2170
_cell_measurement_theta_min      3.7450
_cell_volume                     12466.76(11)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    Yadokari-XG
_computing_publication_material  Yadokari-XG
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            76878
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.380
_diffrn_reflns_theta_min         3.233
_diffrn_source                   'Rotating-anode X-ray tube'
_exptl_absorpt_coefficient_mu    6.573
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_description       prism
_exptl_crystal_F_000             5760
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.384
_refine_diff_density_min         -0.958
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     764
_refine_ls_number_reflns         12691
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0488P)²+26.1387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0900
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12203
_reflns_number_total             12691
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs0c02779_si_002.cif
_cod_data_source_block           GaRhHCl-10
_cod_depositor_comments
'Adding full bibliography for 4518119--4518122.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4518122
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.506
_shelx_estimated_absorpt_t_max   0.735
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.35869(2) 0.02694(2) 0.07022(2) 0.01918(5) Uani 1 1 d . . . . .
Ga1 Ga 0.30735(2) 0.02231(2) 0.00376(2) 0.02070(7) Uani 1 1 d . . . . .
Cl1 Cl 0.30464(2) 0.10340(4) 0.11791(2) 0.02545(11) Uani 1 1 d . . . . .
Cl2 Cl 0.31249(2) -0.04916(4) -0.08446(2) 0.02788(11) Uani 1 1 d . . . . .
P1 P 0.33770(2) -0.11471(4) 0.09994(2) 0.02119(11) Uani 1 1 d . . . . .
P2 P 0.37378(2) 0.15585(4) 0.01883(2) 0.02005(11) Uani 1 1 d . . . . .
P3 P 0.41137(2) 0.03522(4) 0.13702(2) 0.02312(11) Uani 1 1 d . . . . .
N1 N 0.27538(5) -0.07837(12) 0.04310(8) 0.0223(3) Uani 1 1 d . . . . .
N2 N 0.25341(5) 0.05456(13) -0.01863(8) 0.0240(4) Uani 1 1 d . . . . .
N3 N 0.30712(5) 0.15803(12) -0.02863(8) 0.0218(3) Uani 1 1 d . . . . .
C1 C 0.29040(6) -0.13871(15) 0.07939(9) 0.0238(4) Uani 1 1 d . . . . .
C2 C 0.27105(6) -0.21249(17) 0.09987(10) 0.0296(5) Uani 1 1 d . . . . .
H1 H 0.281795 -0.255139 0.126057 0.036 Uiso 1 1 calc R U . . .
C47 C 0.47787(6) 0.04854(18) 0.07924(11) 0.0313(5) Uani 1 1 d . . . . .
H2 H 0.474148 -0.013693 0.069537 0.038 Uiso 1 1 calc R U . . .
C48 C 0.50869(7) 0.0925(2) 0.06045(12) 0.0370(6) Uani 1 1 d . . . . .
H3 H 0.525868 0.059851 0.038236 0.044 Uiso 1 1 calc R U . . .
C49 C 0.51450(6) 0.1828(2) 0.07378(12) 0.0385(6) Uani 1 1 d . . . . .
H4 H 0.535463 0.212567 0.060460 0.046 Uiso 1 1 calc R U . . .
C50 C 0.48962(7) 0.22988(19) 0.10672(12) 0.0372(6) Uani 1 1 d . . . . .
H5 H 0.493671 0.292022 0.116314 0.045 Uiso 1 1 calc R U . . .
C51 C 0.45867(6) 0.18674(17) 0.12589(11) 0.0309(5) Uani 1 1 d . . . . .
H6 H 0.441766 0.219800 0.148387 0.037 Uiso 1 1 calc R U . . .
C52 C 0.40369(6) 0.08302(17) 0.21042(10) 0.0285(5) Uani 1 1 d . . . . .
C53 C 0.43081(7) 0.1190(2) 0.24653(11) 0.0388(6) Uani 1 1 d . . . . .
H7 H 0.454875 0.119000 0.233526 0.047 Uiso 1 1 calc R U . . .
C54 C 0.42240(9) 0.1547(2) 0.30138(12) 0.0510(8) Uani 1 1 d . . . . .
H8 H 0.440717 0.180049 0.325585 0.061 Uiso 1 1 calc R U . . .
C55 C 0.38755(10) 0.1536(2) 0.32089(12) 0.0521(8) Uani 1 1 d . . . . .
H9 H 0.381998 0.178636 0.358307 0.062 Uiso 1 1 calc R U . . .
C56 C 0.36085(8) 0.1164(2) 0.28656(11) 0.0406(6) Uani 1 1 d . . . . .
H10 H 0.337017 0.114424 0.300573 0.049 Uiso 1 1 calc R U . . .
C57 C 0.36888(7) 0.08181(17) 0.23117(10) 0.0302(5) Uani 1 1 d . . . . .
H11 H 0.350322 0.057011 0.207239 0.036 Uiso 1 1 calc R U . . .
Ga2 Ga 0.39460(3) 0.52068(7) 0.32484(4) 0.0508(2) Uani 0.849(3) 1 d . U P A 2
Cl3 Cl 0.3874(3) 0.5675(8) 0.2466(4) 0.086(2) Uani 0.151(3) 1 d . U P A 1
Cl4 Cl 0.42019(3) 0.63956(9) 0.36338(6) 0.0707(4) Uani 0.849(3) 1 d . U P A 2
Cl5 Cl 0.35432(5) 0.47176(8) 0.38713(6) 0.0772(5) Uani 0.849(3) 1 d . U P A 2
Cl6 Cl 0.43128(7) 0.41057(17) 0.30687(11) 0.1146(9) Uani 0.849(3) 1 d . U P A 2
Ga3 Ga 0.3893(3) 0.4971(6) 0.3309(4) 0.090(2) Uani 0.151(3) 1 d . U P A 1
Cl7 Cl 0.36744(5) 0.56056(9) 0.24379(5) 0.0636(4) Uani 0.849(3) 1 d . U P A 2
Cl8 Cl 0.4155(4) 0.5841(11) 0.3921(6) 0.128(4) Uani 0.151(3) 1 d . U P A 1
Cl9 Cl 0.3356(5) 0.4674(8) 0.3570(7) 0.123(3) Uani 0.151(3) 1 d . U P A 1
Cl10 Cl 0.4328(3) 0.4006(7) 0.3384(6) 0.085(3) Uani 0.151(3) 1 d . U P A 1
O1 O 0.26116(7) 0.19937(19) 0.28627(10) 0.0626(6) Uani 1 1 d . . . . .
C58 C 0.24226(14) 0.1268(3) 0.2609(2) 0.0867(15) Uani 1 1 d . . . . .
H45 H 0.258562 0.089240 0.236869 0.104 Uiso 1 1 calc R U . . .
H46 H 0.223067 0.150511 0.234791 0.104 Uiso 1 1 calc R U . . .
C59 C 0.22615(12) 0.0691(3) 0.3094(2) 0.0863(15) Uani 1 1 d . . . . .
H47 H 0.244997 0.050482 0.337161 0.129 Uiso 1 1 calc R U . . .
H48 H 0.214955 0.014933 0.292073 0.129 Uiso 1 1 calc R U . . .
H49 H 0.208095 0.104716 0.330308 0.129 Uiso 1 1 calc R U . . .
C60 C 0.27857(12) 0.2568(3) 0.24397(15) 0.0760(13) Uani 1 1 d . . . . .
H50 H 0.260527 0.283991 0.217045 0.091 Uiso 1 1 calc R U . . .
H51 H 0.295273 0.220140 0.220120 0.091 Uiso 1 1 calc R U . . .
C61 C 0.29839(13) 0.3298(3) 0.2749(2) 0.0811(13) Uani 1 1 d . . . . .
H52 H 0.281717 0.366388 0.298085 0.122 Uiso 1 1 calc R U . . .
H53 H 0.310258 0.368723 0.246015 0.122 Uiso 1 1 calc R U . . .
H54 H 0.316360 0.302608 0.301269 0.122 Uiso 1 1 calc R U . . .
C3 C 0.23582(6) -0.22334(17) 0.08172(11) 0.0316(5) Uani 1 1 d . . . . .
H12 H 0.222501 -0.274808 0.094190 0.038 Uiso 1 1 calc R U . . .
C4 C 0.22015(6) -0.15863(17) 0.04525(10) 0.0295(5) Uani 1 1 d . . . . .
H13 H 0.195895 -0.164208 0.033028 0.035 Uiso 1 1 calc R U . . .
C5 C 0.24075(6) -0.08565(16) 0.02708(9) 0.0245(4) Uani 1 1 d . . . . .
C6 C 0.22809(6) -0.00782(16) -0.00901(10) 0.0261(4) Uani 1 1 d . . . . .
C7 C 0.19370(6) 0.00358(18) -0.03087(12) 0.0337(5) Uani 1 1 d . . . . .
H14 H 0.175691 -0.040369 -0.023276 0.040 Uiso 1 1 calc R U . . .
C8 C 0.18617(6) 0.08024(19) -0.06394(12) 0.0370(6) Uani 1 1 d . . . . .
H15 H 0.162817 0.088863 -0.079760 0.044 Uiso 1 1 calc R U . . .
C9 C 0.21255(6) 0.14503(17) -0.07429(11) 0.0321(5) Uani 1 1 d . . . . .
H16 H 0.207647 0.198116 -0.096885 0.038 Uiso 1 1 calc R U . . .
C10 C 0.24631(6) 0.12926(16) -0.05038(10) 0.0253(4) Uani 1 1 d . . . . .
C11 C 0.27755(6) 0.19012(15) -0.05605(9) 0.0242(4) Uani 1 1 d . . . . .
C12 C 0.27766(6) 0.27292(16) -0.08496(10) 0.0289(5) Uani 1 1 d . . . . .
H17 H 0.256609 0.295744 -0.103457 0.035 Uiso 1 1 calc R U . . .
C13 C 0.30929(7) 0.32165(17) -0.08619(11) 0.0322(5) Uani 1 1 d . . . . .
H18 H 0.310440 0.377421 -0.107309 0.039 Uiso 1 1 calc R U . . .
C14 C 0.33938(6) 0.28917(16) -0.05661(10) 0.0293(5) Uani 1 1 d . . . . .
H19 H 0.361065 0.322832 -0.056661 0.035 Uiso 1 1 calc R U . . .
C15 C 0.33720(6) 0.20643(15) -0.02688(9) 0.0230(4) Uani 1 1 d . . . . .
C16 C 0.35757(6) -0.21770(16) 0.06865(10) 0.0259(4) Uani 1 1 d . . . . .
C17 C 0.36994(6) -0.21376(16) 0.01072(10) 0.0287(5) Uani 1 1 d . . . . .
H20 H 0.367904 -0.158796 -0.011140 0.034 Uiso 1 1 calc R U . . .
C18 C 0.38523(7) -0.29038(18) -0.01490(12) 0.0349(5) Uani 1 1 d . . . . .
H21 H 0.393075 -0.287972 -0.054577 0.042 Uiso 1 1 calc R U . . .
C19 C 0.38908(7) -0.37019(18) 0.01719(13) 0.0376(6) Uani 1 1 d . . . . .
H22 H 0.400349 -0.421656 0.000086 0.045 Uiso 1 1 calc R U . . .
C20 C 0.37646(7) -0.37454(17) 0.07415(12) 0.0352(5) Uani 1 1 d . . . . .
H23 H 0.379103 -0.429188 0.096168 0.042 Uiso 1 1 calc R U . . .
C21 C 0.35997(6) -0.29972(16) 0.09942(11) 0.0300(5) Uani 1 1 d . . . . .
H24 H 0.350258 -0.304357 0.137841 0.036 Uiso 1 1 calc R U . . .
C22 C 0.33430(6) -0.13290(15) 0.17958(9) 0.0252(4) Uani 1 1 d . . . . .
C23 C 0.30528(6) -0.09291(17) 0.20843(10) 0.0302(5) Uani 1 1 d . . . . .
H25 H 0.287035 -0.063327 0.186201 0.036 Uiso 1 1 calc R U . . .
C24 C 0.30318(7) -0.09649(19) 0.26939(11) 0.0352(5) Uani 1 1 d . . . . .
H26 H 0.283643 -0.068683 0.288877 0.042 Uiso 1 1 calc R U . . .
C25 C 0.32940(7) -0.1404(2) 0.30182(10) 0.0374(6) Uani 1 1 d . . . . .
H27 H 0.327765 -0.142996 0.343546 0.045 Uiso 1 1 calc R U . . .
C26 C 0.35806(7) -0.18053(19) 0.27380(11) 0.0348(5) Uani 1 1 d . . . . .
H28 H 0.375949 -0.211020 0.296279 0.042 Uiso 1 1 calc R U . . .
C27 C 0.36070(6) -0.17632(16) 0.21281(10) 0.0287(5) Uani 1 1 d . . . . .
H29 H 0.380584 -0.203163 0.193740 0.034 Uiso 1 1 calc R U . . .
C28 C 0.40787(6) 0.14094(15) -0.03710(9) 0.0238(4) Uani 1 1 d . . . . .
C29 C 0.44276(6) 0.17233(16) -0.03179(10) 0.0281(5) Uani 1 1 d . . . . .
H30 H 0.449960 0.205409 0.002288 0.034 Uiso 1 1 calc R U . . .
C30 C 0.46710(6) 0.15547(19) -0.07614(11) 0.0360(6) Uani 1 1 d . . . . .
H31 H 0.490830 0.177931 -0.072561 0.043 Uiso 1 1 calc R U . . .
C31 C 0.45710(7) 0.1061(2) -0.12565(11) 0.0405(6) Uani 1 1 d . . . . .
H32 H 0.473891 0.095022 -0.155965 0.049 Uiso 1 1 calc R U . . .
C32 C 0.42246(7) 0.0729(2) -0.13083(11) 0.0403(6) Uani 1 1 d . . . . .
H33 H 0.415605 0.038464 -0.164511 0.048 Uiso 1 1 calc R U . . .
C33 C 0.39786(6) 0.09014(18) -0.08684(10) 0.0316(5) Uani 1 1 d . . . . .
H34 H 0.374174 0.067401 -0.090451 0.038 Uiso 1 1 calc R U . . .
C34 C 0.38602(6) 0.25625(15) 0.06279(9) 0.0239(4) Uani 1 1 d . . . . .
C35 C 0.37466(6) 0.25791(16) 0.12134(10) 0.0266(4) Uani 1 1 d . . . . .
H35 H 0.360261 0.209826 0.135969 0.032 Uiso 1 1 calc R U . . .
C36 C 0.38435(6) 0.32976(17) 0.15834(11) 0.0327(5) Uani 1 1 d . . . . .
H36 H 0.376424 0.330782 0.197987 0.039 Uiso 1 1 calc R U . . .
C37 C 0.40547(7) 0.39940(17) 0.13732(12) 0.0350(5) Uani 1 1 d . . . . .
H37 H 0.412920 0.447057 0.162943 0.042 Uiso 1 1 calc R U . . .
C38 C 0.41585(7) 0.39977(17) 0.07859(12) 0.0339(5) Uani 1 1 d . . . . .
H38 H 0.429777 0.448755 0.063968 0.041 Uiso 1 1 calc R U . . .
C39 C 0.40598(6) 0.32895(16) 0.04116(10) 0.0277(4) Uani 1 1 d . . . . .
H39 H 0.412808 0.330079 0.000945 0.033 Uiso 1 1 calc R U . . .
C40 C 0.43076(6) -0.07745(16) 0.15320(10) 0.0273(5) Uani 1 1 d . . . . .
C41 C 0.44270(6) -0.10164(18) 0.20959(11) 0.0337(5) Uani 1 1 d . . . . .
H40 H 0.441949 -0.058420 0.240707 0.040 Uiso 1 1 calc R U . . .
C42 C 0.45571(7) -0.1891(2) 0.22025(13) 0.0420(6) Uani 1 1 d . . . . .
H41 H 0.463385 -0.205547 0.258828 0.050 Uiso 1 1 calc R U . . .
C43 C 0.45752(7) -0.25191(19) 0.17514(14) 0.0433(6) Uani 1 1 d . . . . .
H42 H 0.466228 -0.311560 0.182803 0.052 Uiso 1 1 calc R U . . .
C44 C 0.44664(6) -0.22799(18) 0.11866(13) 0.0379(6) Uani 1 1 d . . . . .
H43 H 0.448309 -0.270775 0.087402 0.046 Uiso 1 1 calc R U . . .
C45 C 0.43325(6) -0.14096(16) 0.10790(11) 0.0300(5) Uani 1 1 d . . . . .
H44 H 0.425735 -0.124788 0.069187 0.036 Uiso 1 1 calc R U . . .
C46 C 0.45224(6) 0.09523(16) 0.11235(10) 0.0266(4) Uani 1 1 d . . . . .
O3 O -0.0225(3) 1.0505(8) 0.0151(7) 0.158(2) Uani 0.5 1 d . . P . .
C66 C 0.0014(2) 1.0584(7) 0.0500(5) 0.158(2) Uani 1 1 d . . . . .
C65 C -0.0069(4) 1.0340(12) 0.1213(10) 0.158(2) Uani 0.5 1 d . . P . .
H55 H 0.3795(9) -0.015(2) 0.0358(15) 0.050(9) Uiso 1 1 d . . . . .
C67 C -0.0175(5) 1.0236(14) -0.0425(11) 0.158(2) Uani 0.5 1 d . . P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P2 Rh1 P1 165.883(19) . . ?
P2 Rh1 Ga1 84.534(14) . . ?
P1 Rh1 Ga1 83.561(14) . . ?
P2 Rh1 P3 94.133(18) . . ?
P1 Rh1 P3 97.785(18) . . ?
Ga1 Rh1 P3 178.654(16) . . ?
P2 Rh1 Cl1 92.975(18) . . ?
P1 Rh1 Cl1 89.974(18) . . ?
Ga1 Rh1 Cl1 69.638(13) . . ?
P3 Rh1 Cl1 110.293(18) . . ?
P2 Rh1 H55 86.0(15) . . ?
P1 Rh1 H55 87.5(15) . . ?
Ga1 Rh1 H55 95.2(16) . . ?
P3 Rh1 H55 84.8(16) . . ?
Cl1 Rh1 H55 164.9(16) . . ?
N1 Ga1 N3 143.60(7) . . ?
N1 Ga1 N2 73.52(7) . . ?
N3 Ga1 N2 73.03(7) . . ?
N1 Ga1 Cl2 95.87(5) . . ?
N3 Ga1 Cl2 97.41(5) . . ?
N2 Ga1 Cl2 88.88(5) . . ?
N1 Ga1 Rh1 101.85(5) . . ?
N3 Ga1 Rh1 100.89(5) . . ?
N2 Ga1 Rh1 151.99(5) . . ?
Cl2 Ga1 Rh1 119.132(18) . . ?
C16 P1 C22 107.10(10) . . ?
C16 P1 C1 97.78(10) . . ?
C22 P1 C1 98.34(10) . . ?
C16 P1 Rh1 119.13(7) . . ?
C22 P1 Rh1 116.30(7) . . ?
C1 P1 Rh1 114.83(7) . . ?
C28 P2 C34 107.60(10) . . ?
C28 P2 C15 100.12(9) . . ?
C34 P2 C15 99.24(10) . . ?
C28 P2 Rh1 115.58(7) . . ?
C34 P2 Rh1 116.59(7) . . ?
C15 P2 Rh1 115.35(7) . . ?
C52 P3 C40 103.16(11) . . ?
C52 P3 C46 103.23(11) . . ?
C40 P3 C46 99.35(10) . . ?
C52 P3 Rh1 116.36(8) . . ?
C40 P3 Rh1 112.79(8) . . ?
C46 P3 Rh1 119.46(7) . . ?
C1 N1 C5 120.92(19) . . ?
C1 N1 Ga1 119.44(14) . . ?
C5 N1 Ga1 119.37(15) . . ?
C6 N2 C10 120.80(19) . . ?
C6 N2 Ga1 118.69(15) . . ?
C10 N2 Ga1 119.59(15) . . ?
C15 N3 C11 121.10(19) . . ?
C15 N3 Ga1 119.34(14) . . ?
C11 N3 Ga1 119.20(15) . . ?
N1 C1 C2 120.6(2) . . ?
N1 C1 P1 115.11(16) . . ?
C2 C1 P1 124.27(17) . . ?
C1 C2 C3 119.2(2) . . ?
C1 C2 H1 120.4 . . ?
C3 C2 H1 120.4 . . ?
C48 C47 C46 120.7(2) . . ?
C48 C47 H2 119.7 . . ?
C46 C47 H2 119.7 . . ?
C49 C48 C47 120.6(3) . . ?
C49 C48 H3 119.7 . . ?
C47 C48 H3 119.7 . . ?
C48 C49 C50 119.6(2) . . ?
C48 C49 H4 120.2 . . ?
C50 C49 H4 120.2 . . ?
C49 C50 C51 120.4(3) . . ?
C49 C50 H5 119.8 . . ?
C51 C50 H5 119.8 . . ?
C50 C51 C46 120.7(2) . . ?
C50 C51 H6 119.7 . . ?
C46 C51 H6 119.7 . . ?
C57 C52 C53 118.9(2) . . ?
C57 C52 P3 117.30(18) . . ?
C53 C52 P3 123.83(19) . . ?
C54 C53 C52 119.8(3) . . ?
C54 C53 H7 120.1 . . ?
C52 C53 H7 120.1 . . ?
C55 C54 C53 120.3(3) . . ?
C55 C54 H8 119.8 . . ?
C53 C54 H8 119.8 . . ?
C56 C55 C54 120.4(3) . . ?
C56 C55 H9 119.8 . . ?
C54 C55 H9 119.8 . . ?
C55 C56 C57 119.7(3) . . ?
C55 C56 H10 120.2 . . ?
C57 C56 H10 120.2 . . ?
C52 C57 C56 120.8(2) . . ?
C52 C57 H11 119.6 . . ?
C56 C57 H11 119.6 . . ?
Cl6 Ga2 Cl7 109.56(8) . . ?
Cl6 Ga2 Cl4 113.51(9) . . ?
Cl7 Ga2 Cl4 108.97(7) . . ?
Cl6 Ga2 Cl5 108.50(10) . . ?
Cl7 Ga2 Cl5 108.32(8) . . ?
Cl4 Ga2 Cl5 107.85(7) . . ?
Cl8 Ga3 Cl9 111.7(6) . . ?
Cl8 Ga3 Cl10 90.0(6) . . ?
Cl9 Ga3 Cl10 123.5(6) . . ?
Cl8 Ga3 Cl3 107.5(6) . . ?
Cl9 Ga3 Cl3 108.5(6) . . ?
Cl10 Ga3 Cl3 113.5(6) . . ?
C58 O1 C60 113.7(3) . . ?
O1 C58 C59 109.2(3) . . ?
O1 C58 H45 109.8 . . ?
C59 C58 H45 109.8 . . ?
O1 C58 H46 109.8 . . ?
C59 C58 H46 109.8 . . ?
H45 C58 H46 108.3 . . ?
C58 C59 H47 109.5 . . ?
C58 C59 H48 109.5 . . ?
H47 C59 H48 109.5 . . ?
C58 C59 H49 109.5 . . ?
H47 C59 H49 109.5 . . ?
H48 C59 H49 109.5 . . ?
O1 C60 C61 109.7(3) . . ?
O1 C60 H50 109.7 . . ?
C61 C60 H50 109.7 . . ?
O1 C60 H51 109.7 . . ?
C61 C60 H51 109.7 . . ?
H50 C60 H51 108.2 . . ?
C60 C61 H52 109.5 . . ?
C60 C61 H53 109.5 . . ?
H52 C61 H53 109.5 . . ?
C60 C61 H54 109.5 . . ?
H52 C61 H54 109.5 . . ?
H53 C61 H54 109.5 . . ?
C2 C3 C4 119.6(2) . . ?
C2 C3 H12 120.2 . . ?
C4 C3 H12 120.2 . . ?
C5 C4 C3 118.3(2) . . ?
C5 C4 H13 120.8 . . ?
C3 C4 H13 120.8 . . ?
N1 C5 C4 121.2(2) . . ?
N1 C5 C6 112.94(19) . . ?
C4 C5 C6 125.8(2) . . ?
N2 C6 C7 121.1(2) . . ?
N2 C6 C5 113.29(19) . . ?
C7 C6 C5 125.6(2) . . ?
C8 C7 C6 118.5(2) . . ?
C8 C7 H14 120.7 . . ?
C6 C7 H14 120.7 . . ?
C7 C8 C9 120.5(2) . . ?
C7 C8 H15 119.8 . . ?
C9 C8 H15 119.8 . . ?
C10 C9 C8 117.6(2) . . ?
C10 C9 H16 121.2 . . ?
C8 C9 H16 121.2 . . ?
N2 C10 C9 121.5(2) . . ?
N2 C10 C11 112.92(18) . . ?
C9 C10 C11 125.6(2) . . ?
N3 C11 C12 121.4(2) . . ?
N3 C11 C10 113.24(19) . . ?
C12 C11 C10 125.4(2) . . ?
C11 C12 C13 118.1(2) . . ?
C11 C12 H17 120.9 . . ?
C13 C12 H17 120.9 . . ?
C12 C13 C14 120.1(2) . . ?
C12 C13 H18 119.9 . . ?
C14 C13 H18 119.9 . . ?
C13 C14 C15 118.8(2) . . ?
C13 C14 H19 120.6 . . ?
C15 C14 H19 120.6 . . ?
N3 C15 C14 120.34(19) . . ?
N3 C15 P2 114.83(16) . . ?
C14 C15 P2 124.82(17) . . ?
C21 C16 C17 119.1(2) . . ?
C21 C16 P1 122.93(17) . . ?
C17 C16 P1 117.98(18) . . ?
C18 C17 C16 120.0(2) . . ?
C18 C17 H20 120.0 . . ?
C16 C17 H20 120.0 . . ?
C19 C18 C17 120.3(2) . . ?
C19 C18 H21 119.8 . . ?
C17 C18 H21 119.8 . . ?
C20 C19 C18 119.7(2) . . ?
C20 C19 H22 120.1 . . ?
C18 C19 H22 120.1 . . ?
C19 C20 C21 120.5(2) . . ?
C19 C20 H23 119.8 . . ?
C21 C20 H23 119.8 . . ?
C20 C21 C16 120.3(2) . . ?
C20 C21 H24 119.9 . . ?
C16 C21 H24 119.9 . . ?
C27 C22 C23 119.2(2) . . ?
C27 C22 P1 123.07(17) . . ?
C23 C22 P1 117.42(17) . . ?
C24 C23 C22 120.1(2) . . ?
C24 C23 H25 120.0 . . ?
C22 C23 H25 120.0 . . ?
C25 C24 C23 120.2(2) . . ?
C25 C24 H26 119.9 . . ?
C23 C24 H26 119.9 . . ?
C24 C25 C26 120.3(2) . . ?
C24 C25 H27 119.9 . . ?
C26 C25 H27 119.9 . . ?
C25 C26 C27 120.1(2) . . ?
C25 C26 H28 120.0 . . ?
C27 C26 H28 120.0 . . ?
C26 C27 C22 120.2(2) . . ?
C26 C27 H29 119.9 . . ?
C22 C27 H29 119.9 . . ?
C29 C28 C33 119.4(2) . . ?
C29 C28 P2 124.32(17) . . ?
C33 C28 P2 116.22(17) . . ?
C30 C29 C28 120.1(2) . . ?
C30 C29 H30 120.0 . . ?
C28 C29 H30 120.0 . . ?
C31 C30 C29 120.5(2) . . ?
C31 C30 H31 119.7 . . ?
C29 C30 H31 119.7 . . ?
C30 C31 C32 119.8(2) . . ?
C30 C31 H32 120.1 . . ?
C32 C31 H32 120.1 . . ?
C33 C32 C31 120.0(2) . . ?
C33 C32 H33 120.0 . . ?
C31 C32 H33 120.0 . . ?
C32 C33 C28 120.2(2) . . ?
C32 C33 H34 119.9 . . ?
C28 C33 H34 119.9 . . ?
C39 C34 C35 119.3(2) . . ?
C39 C34 P2 123.73(17) . . ?
C35 C34 P2 116.96(17) . . ?
C36 C35 C34 120.4(2) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C37 C36 C35 120.0(2) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C37 C38 120.0(2) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C39 C38 C37 120.5(2) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C38 C39 C34 119.8(2) . . ?
C38 C39 H39 120.1 . . ?
C34 C39 H39 120.1 . . ?
C45 C40 C41 118.9(2) . . ?
C45 C40 P3 118.93(17) . . ?
C41 C40 P3 122.20(19) . . ?
C42 C41 C40 120.1(3) . . ?
C42 C41 H40 120.0 . . ?
C40 C41 H40 120.0 . . ?
C43 C42 C41 120.5(3) . . ?
C43 C42 H41 119.8 . . ?
C41 C42 H41 119.8 . . ?
C42 C43 C44 120.0(2) . . ?
C42 C43 H42 120.0 . . ?
C44 C43 H42 120.0 . . ?
C43 C44 C45 119.8(3) . . ?
C43 C44 H43 120.1 . . ?
C45 C44 H43 120.1 . . ?
C40 C45 C44 120.8(2) . . ?
C40 C45 H44 119.6 . . ?
C44 C45 H44 119.6 . . ?
C51 C46 C47 118.0(2) . . ?
C51 C46 P3 122.04(18) . . ?
C47 C46 P3 119.92(19) . . ?
C66 O3 C67 123.1(14) . . ?
O3 C66 C67 99.3(12) . 5_575 ?
O3 C66 C65 118.0(12) . . ?
C67 C66 C65 90.9(14) 5_575 . ?
C66 C67 O3 115.8(18) 5_575 . ?
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 P2 2.2967(5) . ?
Rh1 P1 2.3257(5) . ?
Rh1 Ga1 2.4318(3) . ?
Rh1 P3 2.4781(5) . ?
Rh1 Cl1 2.5617(5) . ?
Rh1 H55 1.27(3) . ?
Ga1 N1 2.1058(18) . ?
Ga1 N3 2.1243(18) . ?
Ga1 N2 2.1299(18) . ?
Ga1 Cl2 2.2697(6) . ?
P1 C16 1.831(2) . ?
P1 C22 1.832(2) . ?
P1 C1 1.860(2) . ?
P2 C28 1.821(2) . ?
P2 C34 1.836(2) . ?
P2 C15 1.864(2) . ?
P3 C52 1.832(2) . ?
P3 C40 1.842(2) . ?
P3 C46 1.856(2) . ?
N1 C1 1.331(3) . ?
N1 C5 1.347(3) . ?
N2 C6 1.337(3) . ?
N2 C10 1.338(3) . ?
N3 C15 1.331(3) . ?
N3 C11 1.349(3) . ?
C1 C2 1.386(3) . ?
C2 C3 1.386(3) . ?
C2 H1 0.9500 . ?
C47 C48 1.392(3) . ?
C47 C46 1.403(3) . ?
C47 H2 0.9500 . ?
C48 C49 1.377(4) . ?
C48 H3 0.9500 . ?
C49 C50 1.385(4) . ?
C49 H4 0.9500 . ?
C50 C51 1.393(3) . ?
C50 H5 0.9500 . ?
C51 C46 1.399(3) . ?
C51 H6 0.9500 . ?
C52 C57 1.389(3) . ?
C52 C53 1.402(3) . ?
C53 C54 1.389(4) . ?
C53 H7 0.9500 . ?
C54 C55 1.381(5) . ?
C54 H8 0.9500 . ?
C55 C56 1.374(4) . ?
C55 H9 0.9500 . ?
C56 C57 1.391(3) . ?
C56 H10 0.9500 . ?
C57 H11 0.9500 . ?
Ga2 Cl6 2.162(2) . ?
Ga2 Cl7 2.1731(14) . ?
Ga2 Cl4 2.1712(14) . ?
Ga2 Cl5 2.1967(19) . ?
Cl3 Ga3 2.174(13) . ?
Ga3 Cl8 2.122(15) . ?
Ga3 Cl9 2.143(17) . ?
Ga3 Cl10 2.164(13) . ?
O1 C58 1.400(5) . ?
O1 C60 1.438(5) . ?
C58 C59 1.518(7) . ?
C58 H45 0.9900 . ?
C58 H46 0.9900 . ?
C59 H47 0.9800 . ?
C59 H48 0.9800 . ?
C59 H49 0.9800 . ?
C60 C61 1.477(7) . ?
C60 H50 0.9900 . ?
C60 H51 0.9900 . ?
C61 H52 0.9800 . ?
C61 H53 0.9800 . ?
C61 H54 0.9800 . ?
C3 C4 1.387(3) . ?
C3 H12 0.9500 . ?
C4 C5 1.385(3) . ?
C4 H13 0.9500 . ?
C5 C6 1.481(3) . ?
C6 C7 1.385(3) . ?
C7 C8 1.381(4) . ?
C7 H14 0.9500 . ?
C8 C9 1.393(4) . ?
C8 H15 0.9500 . ?
C9 C10 1.389(3) . ?
C9 H16 0.9500 . ?
C10 C11 1.478(3) . ?
C11 C12 1.382(3) . ?
C12 C13 1.384(3) . ?
C12 H17 0.9500 . ?
C13 C14 1.390(3) . ?
C13 H18 0.9500 . ?
C14 C15 1.392(3) . ?
C14 H19 0.9500 . ?
C16 C21 1.395(3) . ?
C16 C17 1.399(3) . ?
C17 C18 1.392(3) . ?
C17 H20 0.9500 . ?
C18 C19 1.387(4) . ?
C18 H21 0.9500 . ?
C19 C20 1.381(4) . ?
C19 H22 0.9500 . ?
C20 C21 1.387(4) . ?
C20 H23 0.9500 . ?
C21 H24 0.9500 . ?
C22 C27 1.392(3) . ?
C22 C23 1.402(3) . ?
C23 C24 1.387(3) . ?
C23 H25 0.9500 . ?
C24 C25 1.380(4) . ?
C24 H26 0.9500 . ?
C25 C26 1.384(4) . ?
C25 H27 0.9500 . ?
C26 C27 1.389(3) . ?
C26 H28 0.9500 . ?
C27 H29 0.9500 . ?
C28 C29 1.389(3) . ?
C28 C33 1.401(3) . ?
C29 C30 1.386(3) . ?
C29 H30 0.9500 . ?
C30 C31 1.385(4) . ?
C30 H31 0.9500 . ?
C31 C32 1.389(4) . ?
C31 H32 0.9500 . ?
C32 C33 1.387(3) . ?
C32 H33 0.9500 . ?
C33 H34 0.9500 . ?
C34 C39 1.395(3) . ?
C34 C35 1.399(3) . ?
C35 C36 1.394(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.380(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.391(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.391(3) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C45 1.392(3) . ?
C40 C41 1.397(3) . ?
C41 C42 1.394(4) . ?
C41 H40 0.9500 . ?
C42 C43 1.380(5) . ?
C42 H41 0.9500 . ?
C43 C44 1.386(4) . ?
C43 H42 0.9500 . ?
C44 C45 1.394(4) . ?
C44 H43 0.9500 . ?
C45 H44 0.9500 . ?
O3 C66 1.195(13) . ?
O3 C67 1.38(2) . ?
C66 C67 1.36(2) 5_575 ?
C66 C65 1.69(2) . ?
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
C5 N1 C1 C2 2.4(3) . . . . ?
Ga1 N1 C1 C2 -171.64(17) . . . . ?
C5 N1 C1 P1 -176.87(16) . . . . ?
Ga1 N1 C1 P1 9.1(2) . . . . ?
C16 P1 C1 N1 -118.15(17) . . . . ?
C22 P1 C1 N1 133.19(17) . . . . ?
Rh1 P1 C1 N1 9.05(18) . . . . ?
C16 P1 C1 C2 62.6(2) . . . . ?
C22 P1 C1 C2 -46.0(2) . . . . ?
Rh1 P1 C1 C2 -170.18(17) . . . . ?
N1 C1 C2 C3 0.6(3) . . . . ?
P1 C1 C2 C3 179.74(18) . . . . ?
C46 C47 C48 C49 -0.3(4) . . . . ?
C47 C48 C49 C50 0.7(4) . . . . ?
C48 C49 C50 C51 -0.6(4) . . . . ?
C49 C50 C51 C46 0.1(4) . . . . ?
C40 P3 C52 C57 -102.4(2) . . . . ?
C46 P3 C52 C57 154.55(19) . . . . ?
Rh1 P3 C52 C57 21.7(2) . . . . ?
C40 P3 C52 C53 76.7(2) . . . . ?
C46 P3 C52 C53 -26.4(2) . . . . ?
Rh1 P3 C52 C53 -159.27(19) . . . . ?
C57 C52 C53 C54 -1.6(4) . . . . ?
P3 C52 C53 C54 179.3(2) . . . . ?
C52 C53 C54 C55 1.1(5) . . . . ?
C53 C54 C55 C56 0.6(5) . . . . ?
C54 C55 C56 C57 -1.6(5) . . . . ?
C53 C52 C57 C56 0.6(4) . . . . ?
P3 C52 C57 C56 179.7(2) . . . . ?
C55 C56 C57 C52 1.0(4) . . . . ?
C60 O1 C58 C59 178.0(3) . . . . ?
C58 O1 C60 C61 -178.7(3) . . . . ?
C1 C2 C3 C4 -2.4(4) . . . . ?
C2 C3 C4 C5 1.4(4) . . . . ?
C1 N1 C5 C4 -3.5(3) . . . . ?
Ga1 N1 C5 C4 170.55(16) . . . . ?
C1 N1 C5 C6 174.76(19) . . . . ?
Ga1 N1 C5 C6 -11.2(2) . . . . ?
C3 C4 C5 N1 1.6(3) . . . . ?
C3 C4 C5 C6 -176.5(2) . . . . ?
C10 N2 C6 C7 -0.9(3) . . . . ?
Ga1 N2 C6 C7 -169.91(18) . . . . ?
C10 N2 C6 C5 -179.87(19) . . . . ?
Ga1 N2 C6 C5 11.1(2) . . . . ?
N1 C5 C6 N2 -0.1(3) . . . . ?
C4 C5 C6 N2 178.1(2) . . . . ?
N1 C5 C6 C7 -179.0(2) . . . . ?
C4 C5 C6 C7 -0.8(4) . . . . ?
N2 C6 C7 C8 1.2(4) . . . . ?
C5 C6 C7 C8 -180.0(2) . . . . ?
C6 C7 C8 C9 -0.8(4) . . . . ?
C7 C8 C9 C10 0.2(4) . . . . ?
C6 N2 C10 C9 0.2(3) . . . . ?
Ga1 N2 C10 C9 169.12(17) . . . . ?
C6 N2 C10 C11 179.85(19) . . . . ?
Ga1 N2 C10 C11 -11.2(2) . . . . ?
C8 C9 C10 N2 0.1(4) . . . . ?
C8 C9 C10 C11 -179.4(2) . . . . ?
C15 N3 C11 C12 2.1(3) . . . . ?
Ga1 N3 C11 C12 -170.94(16) . . . . ?
C15 N3 C11 C10 -176.66(19) . . . . ?
Ga1 N3 C11 C10 10.3(2) . . . . ?
N2 C10 C11 N3 0.6(3) . . . . ?
C9 C10 C11 N3 -179.8(2) . . . . ?
N2 C10 C11 C12 -178.1(2) . . . . ?
C9 C10 C11 C12 1.5(4) . . . . ?
N3 C11 C12 C13 1.4(3) . . . . ?
C10 C11 C12 C13 180.0(2) . . . . ?
C11 C12 C13 C14 -2.9(4) . . . . ?
C12 C13 C14 C15 1.2(4) . . . . ?
C11 N3 C15 C14 -4.0(3) . . . . ?
Ga1 N3 C15 C14 169.08(16) . . . . ?
C11 N3 C15 P2 174.54(16) . . . . ?
Ga1 N3 C15 P2 -12.4(2) . . . . ?
C13 C14 C15 N3 2.3(3) . . . . ?
C13 C14 C15 P2 -176.05(18) . . . . ?
C28 P2 C15 N3 119.41(17) . . . . ?
C34 P2 C15 N3 -130.70(16) . . . . ?
Rh1 P2 C15 N3 -5.33(18) . . . . ?
C28 P2 C15 C14 -62.1(2) . . . . ?
C34 P2 C15 C14 47.7(2) . . . . ?
Rh1 P2 C15 C14 173.11(17) . . . . ?
C22 P1 C16 C21 15.1(2) . . . . ?
C1 P1 C16 C21 -86.2(2) . . . . ?
Rh1 P1 C16 C21 149.66(16) . . . . ?
C22 P1 C16 C17 -166.70(17) . . . . ?
C1 P1 C16 C17 92.05(18) . . . . ?
Rh1 P1 C16 C17 -32.1(2) . . . . ?
C21 C16 C17 C18 -1.7(3) . . . . ?
P1 C16 C17 C18 -179.98(18) . . . . ?
C16 C17 C18 C19 -1.6(4) . . . . ?
C17 C18 C19 C20 2.4(4) . . . . ?
C18 C19 C20 C21 0.0(4) . . . . ?
C19 C20 C21 C16 -3.3(4) . . . . ?
C17 C16 C21 C20 4.1(3) . . . . ?
P1 C16 C21 C20 -177.69(18) . . . . ?
C16 P1 C22 C27 39.6(2) . . . . ?
C1 P1 C22 C27 140.4(2) . . . . ?
Rh1 P1 C22 C27 -96.5(2) . . . . ?
C16 P1 C22 C23 -146.87(18) . . . . ?
C1 P1 C22 C23 -46.0(2) . . . . ?
Rh1 P1 C22 C23 77.06(19) . . . . ?
C27 C22 C23 C24 0.3(4) . . . . ?
P1 C22 C23 C24 -173.54(19) . . . . ?
C22 C23 C24 C25 -0.8(4) . . . . ?
C23 C24 C25 C26 0.4(4) . . . . ?
C24 C25 C26 C27 0.4(4) . . . . ?
C25 C26 C27 C22 -0.9(4) . . . . ?
C23 C22 C27 C26 0.6(4) . . . . ?
P1 C22 C27 C26 174.03(19) . . . . ?
C34 P2 C28 C29 24.9(2) . . . . ?
C15 P2 C28 C29 128.1(2) . . . . ?
Rh1 P2 C28 C29 -107.30(19) . . . . ?
C34 P2 C28 C33 -158.44(18) . . . . ?
C15 P2 C28 C33 -55.28(19) . . . . ?
Rh1 P2 C28 C33 69.31(19) . . . . ?
C33 C28 C29 C30 1.7(3) . . . . ?
P2 C28 C29 C30 178.23(18) . . . . ?
C28 C29 C30 C31 -1.0(4) . . . . ?
C29 C30 C31 C32 -0.3(4) . . . . ?
C30 C31 C32 C33 0.8(4) . . . . ?
C31 C32 C33 C28 0.0(4) . . . . ?
C29 C28 C33 C32 -1.2(4) . . . . ?
P2 C28 C33 C32 -178.0(2) . . . . ?
C28 P2 C34 C39 27.7(2) . . . . ?
C15 P2 C34 C39 -76.10(19) . . . . ?
Rh1 P2 C34 C39 159.39(16) . . . . ?
C28 P2 C34 C35 -151.69(16) . . . . ?
C15 P2 C34 C35 104.52(17) . . . . ?
Rh1 P2 C34 C35 -19.99(19) . . . . ?
C39 C34 C35 C36 -2.5(3) . . . . ?
P2 C34 C35 C36 176.93(17) . . . . ?
C34 C35 C36 C37 -0.4(3) . . . . ?
C35 C36 C37 C38 2.6(4) . . . . ?
C36 C37 C38 C39 -1.9(4) . . . . ?
C37 C38 C39 C34 -1.0(3) . . . . ?
C35 C34 C39 C38 3.2(3) . . . . ?
P2 C34 C39 C38 -176.17(17) . . . . ?
C52 P3 C40 C45 166.87(18) . . . . ?
C46 P3 C40 C45 -87.07(19) . . . . ?
Rh1 P3 C40 C45 40.51(19) . . . . ?
C52 P3 C40 C41 -12.4(2) . . . . ?
C46 P3 C40 C41 93.6(2) . . . . ?
Rh1 P3 C40 C41 -138.78(17) . . . . ?
C45 C40 C41 C42 -2.1(3) . . . . ?
P3 C40 C41 C42 177.15(19) . . . . ?
C40 C41 C42 C43 1.2(4) . . . . ?
C41 C42 C43 C44 0.5(4) . . . . ?
C42 C43 C44 C45 -1.2(4) . . . . ?
C41 C40 C45 C44 1.5(3) . . . . ?
P3 C40 C45 C44 -177.85(17) . . . . ?
C43 C44 C45 C40 0.2(4) . . . . ?
C50 C51 C46 C47 0.2(3) . . . . ?
C50 C51 C46 P3 180.00(18) . . . . ?
C48 C47 C46 C51 -0.1(3) . . . . ?
C48 C47 C46 P3 -179.91(18) . . . . ?
C52 P3 C46 C51 -36.8(2) . . . . ?
C40 P3 C46 C51 -142.79(19) . . . . ?
Rh1 P3 C46 C51 94.26(19) . . . . ?
C52 P3 C46 C47 142.98(19) . . . . ?
C40 P3 C46 C47 37.0(2) . . . . ?
Rh1 P3 C46 C47 -85.98(19) . . . . ?
C67 O3 C66 C67 -51(2) . . . 5_575 ?
C67 O3 C66 C65 -146.7(17) . . . . ?
C66 O3 C67 C66 58(2) . . . 5_575 ?
