#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:58:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179736 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/32/7003284.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_7003284
loop_
_publ_author_name
'Jeon, Sang-Jin'
'Waymouth, Robert M.'
_publ_section_title
;
 New bimetallic complexes of late transition metals involving
 pyrazole-bridged bis N-heterocyclic carbene ligands
;
_journal_issue                   4
_journal_name_full               'Dalton Transactions'
_journal_page_first              437
_journal_page_last               439
_journal_paper_doi               10.1039/b715212d
_journal_year                    2008
_chemical_formula_moiety         'C51 H67 N6 Rh2, F6 P'
_chemical_formula_sum            'C51 H67 F6 N6 P Rh2'
_chemical_formula_weight         1114.90
_chemical_name_common            07066s
_chemical_name_systematic
;
?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.222(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   30.849(4)
_cell_length_b                   18.153(2)
_cell_length_c                   16.475(2)
_cell_measurement_reflns_used    3958
_cell_measurement_temperature    173(2)
_cell_volume                     9219.1(19)
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_collection       'SMART, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens SMART Platform CCD'
_diffrn_measurement_method       'area detector, omega scans per phi'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            45510
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_T_max  0.7911
_exptl_absorpt_correction_T_min  0.7486
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.205
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3444
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.736
_refine_diff_density_min         -1.122
_refine_diff_density_rms         0.073
_refine_ls_abs_structure_details
'Flack H D (1983), 7886 Friedel Pairs, Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     959
_refine_ls_number_reflns         16350
_refine_ls_number_restraints     347
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0397
_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)+(0.0591P)²+20.5158P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1047
_reflns_number_gt                15285
_reflns_number_total             16350
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b715212d.txt
_cod_data_source_block           07066s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      C2
_cod_database_code               7003284
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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 0.457471(11) 0.20401(2) 0.59773(2) 0.03240(9) Uani 1 1 d . . .
Rh2 Rh 0.192238(11) 0.16964(2) 0.76204(2) 0.03096(9) Uani 1 1 d . . .
Rh3 Rh 0.154936(12) 0.28981(2) 0.96667(2) 0.03326(9) Uani 1 1 d . . .
P1 P 0.46154(4) 0.59731(7) 0.64836(8) 0.0385(3) Uani 1 1 d . . .
F1 F 0.48519(16) 0.6412(3) 0.7204(3) 0.1049(18) Uani 1 1 d . . .
F2 F 0.48274(18) 0.6459(2) 0.5825(3) 0.1060(18) Uani 1 1 d . . .
F3 F 0.43600(13) 0.5494(2) 0.5807(2) 0.0710(11) Uani 1 1 d . . .
F4 F 0.43839(16) 0.5471(2) 0.7136(3) 0.0830(12) Uani 1 1 d . . .
F5 F 0.50094(11) 0.5415(2) 0.6431(3) 0.0731(11) Uani 1 1 d . . .
F6 F 0.42280(13) 0.6531(2) 0.6527(2) 0.0719(11) Uani 1 1 d . . .
P2 P 0.5025(2) 0.47051(12) 0.9933(4) 0.0445(10) Uani 0.458(13) 1 d PD A -1
F7 F 0.5257(3) 0.4708(4) 0.9098(5) 0.0699(16) Uani 0.458(13) 1 d PD A -1
F8 F 0.5428(3) 0.5109(6) 1.0349(6) 0.081(5) Uani 0.458(13) 1 d PD A -1
F9 F 0.4814(4) 0.5476(3) 0.9718(7) 0.086(4) Uani 0.458(13) 1 d PD A -1
F10 F 0.4620(3) 0.4307(6) 0.9515(5) 0.100(6) Uani 0.458(13) 1 d PD A -1
F11 F 0.5232(4) 0.3933(4) 1.0143(5) 0.084(4) Uani 0.458(13) 1 d PD A -1
F12 F 0.4792(3) 0.4705(5) 1.0766(5) 0.0699(16) Uani 0.458(13) 1 d PD A -1
P2' P 0.5025(2) 0.47051(12) 0.9933(4) 0.0445(10) Uani 0.042(13) 1 d PD A -2
F7' F 0.531(2) 0.467(5) 0.916(3) 0.0699(16) Uani 0.042(13) 1 d PD A -2
F8' F 0.508(3) 0.5568(7) 0.996(6) 0.081(5) Uani 0.042(13) 1 d PD A -2
F9' F 0.4604(17) 0.480(6) 0.937(4) 0.086(4) Uani 0.042(13) 1 d PD A -2
F10' F 0.497(3) 0.3843(8) 0.991(6) 0.100(6) Uani 0.042(13) 1 d PD A -2
F11' F 0.5445(17) 0.461(6) 1.050(5) 0.084(4) Uani 0.042(13) 1 d PD A -2
F12' F 0.474(2) 0.474(5) 1.070(3) 0.0699(16) Uani 0.042(13) 1 d PD A -2
N1 N 0.49361(13) 0.2446(2) 0.7786(2) 0.0361(9) Uani 1 1 d . . .
N2 N 0.47477(15) 0.3348(2) 0.7012(2) 0.0421(10) Uani 1 1 d . . .
N3 N 0.48962(13) 0.2872(2) 0.5356(2) 0.0349(8) Uani 1 1 d . . .
N4 N 0.15574(13) 0.2120(3) 0.5834(2) 0.0383(9) Uani 1 1 d . . .
N5 N 0.11449(13) 0.1462(2) 0.6545(2) 0.0371(9) Uani 1 1 d . . .
N6 N 0.13467(11) 0.1775(2) 0.8246(2) 0.0339(8) Uani 1 1 d . . .
N7 N 0.12749(12) 0.2011(2) 0.9014(2) 0.0359(8) Uani 1 1 d . . .
N8 N 0.10028(13) 0.1944(2) 1.0668(2) 0.0378(9) Uani 1 1 d . . .
N9 N 0.15505(13) 0.2204(2) 1.1452(2) 0.0357(9) Uani 1 1 d . . .
C1 C 0.47714(15) 0.2604(3) 0.7019(3) 0.0314(10) Uani 1 1 d . . .
C2 C 0.50029(19) 0.3092(3) 0.8233(3) 0.0489(14) Uani 1 1 d . . .
H2A H 0.5110 0.3125 0.8780 0.059 Uiso 1 1 calc R . .
C3 C 0.4886(2) 0.3675(4) 0.7736(3) 0.0543(14) Uani 1 1 d . . .
H3A H 0.4898 0.4186 0.7862 0.065 Uiso 1 1 calc R . .
C4 C 0.50095(17) 0.1738(3) 0.8132(3) 0.0454(11) Uani 1 1 d U B .
C5 C 0.5385(2) 0.1364(4) 0.7937(4) 0.0648(17) Uani 1 1 d DU . .
C6 C 0.5450(3) 0.0674(5) 0.8288(5) 0.098(3) Uani 1 1 d U B .
H6A H 0.5712 0.0418 0.8193 0.118 Uiso 1 1 calc R . .
C7 C 0.5159(3) 0.0359(5) 0.8751(5) 0.087(2) Uani 1 1 d U . .
H7A H 0.5198 -0.0134 0.8931 0.104 Uiso 1 1 calc R B .
C8 C 0.4801(2) 0.0755(4) 0.8966(4) 0.0643(16) Uani 1 1 d U B .
H8A H 0.4608 0.0545 0.9337 0.077 Uiso 1 1 calc R . .
C9 C 0.47139(18) 0.1445(3) 0.8659(3) 0.0460(12) Uani 1 1 d U . .
C10 C 0.5736(2) 0.1729(4) 0.7408(4) 0.0784(17) Uani 0.779(16) 1 d PDU B 1
H10 H 0.5582 0.2010 0.6961 0.094 Uiso 0.779(16) 1 calc PR B 1
C11 C 0.6063(4) 0.1254(7) 0.7035(7) 0.094(2) Uani 0.779(16) 1 d PDU B 1
H11A H 0.6238 0.1008 0.7463 0.141 Uiso 0.779(16) 1 calc PR B 1
H11B H 0.6251 0.1556 0.6704 0.141 Uiso 0.779(16) 1 calc PR B 1
H11C H 0.5916 0.0883 0.6691 0.141 Uiso 0.779(16) 1 calc PR B 1
C12 C 0.5995(4) 0.2263(7) 0.7905(6) 0.082(2) Uani 0.779(16) 1 d PDU B 1
H12A H 0.6143 0.2004 0.8359 0.123 Uiso 0.779(16) 1 calc PR B 1
H12B H 0.5802 0.2639 0.8118 0.123 Uiso 0.779(16) 1 calc PR B 1
H12C H 0.6210 0.2498 0.7569 0.123 Uiso 0.779(16) 1 calc PR B 1
C10' C 0.5736(2) 0.1729(4) 0.7408(4) 0.0784(17) Uani 0.221(16) 1 d PDU B 2
H10' H 0.5652 0.2156 0.7051 0.094 Uiso 0.221(16) 1 calc PR B 2
C11' C 0.5868(13) 0.1026(12) 0.703(2) 0.094(2) Uani 0.221(16) 1 d PDU B 2
H11D H 0.6056 0.1131 0.6575 0.141 Uiso 0.221(16) 1 calc PR B 2
H11E H 0.5609 0.0762 0.6824 0.141 Uiso 0.221(16) 1 calc PR B 2
H11F H 0.6025 0.0722 0.7432 0.141 Uiso 0.221(16) 1 calc PR B 2
C12' C 0.6060(8) 0.184(2) 0.8080(14) 0.082(2) Uani 0.221(16) 1 d PDU B 2
H12D H 0.5926 0.1747 0.8599 0.123 Uiso 0.221(16) 1 calc PR B 2
H12E H 0.6166 0.2350 0.8069 0.123 Uiso 0.221(16) 1 calc PR B 2
H12F H 0.6304 0.1502 0.8017 0.123 Uiso 0.221(16) 1 calc PR B 2
C13 C 0.43066(16) 0.1846(4) 0.8882(3) 0.0595(19) Uani 1 1 d . B .
H13A H 0.4264 0.2256 0.8483 0.071 Uiso 1 1 calc R . .
C14 C 0.3896(3) 0.1397(8) 0.8847(7) 0.139(5) Uani 1 1 d . . .
H14A H 0.3878 0.1118 0.8338 0.209 Uiso 1 1 calc R B .
H14B H 0.3645 0.1726 0.8874 0.209 Uiso 1 1 calc R . .
H14C H 0.3899 0.1054 0.9307 0.209 Uiso 1 1 calc R . .
C15 C 0.4372(2) 0.2214(4) 0.9751(4) 0.0709(19) Uani 1 1 d . . .
H15A H 0.4616 0.2559 0.9748 0.106 Uiso 1 1 calc R B .
H15B H 0.4431 0.1831 1.0159 0.106 Uiso 1 1 calc R . .
H15C H 0.4107 0.2481 0.9884 0.106 Uiso 1 1 calc R . .
C16 C 0.4582(3) 0.3769(3) 0.6325(3) 0.0617(17) Uani 1 1 d . . .
H16A H 0.4613 0.4302 0.6442 0.074 Uiso 1 1 calc R . .
H16B H 0.4270 0.3661 0.6226 0.074 Uiso 1 1 calc R . .
C17 C 0.48318(19) 0.3575(3) 0.5567(3) 0.0419(12) Uani 1 1 d . . .
C18 C 0.5000 0.4047(4) 0.5000 0.056(2) Uani 1 2 d S . .
H18A H 0.5000 0.4570 0.5000 0.067 Uiso 1 2 calc SR . .
C19 C 0.4385(2) 0.1052(4) 0.6580(4) 0.0628(15) Uani 1 1 d U . .
H19A H 0.4523 0.0990 0.7136 0.075 Uiso 1 1 calc R . .
C20 C 0.4042(2) 0.1533(4) 0.6551(4) 0.0633(16) Uani 1 1 d U . .
H20A H 0.3978 0.1753 0.7089 0.076 Uiso 1 1 calc R . .
C21 C 0.3634(3) 0.1451(5) 0.5972(5) 0.082(2) Uani 1 1 d U . .
H21A H 0.3579 0.0922 0.5866 0.099 Uiso 1 1 calc R . .
H21B H 0.3379 0.1658 0.6238 0.099 Uiso 1 1 calc R . .
C22 C 0.3695(3) 0.1846(5) 0.5173(5) 0.085(2) Uani 1 1 d U . .
H22A H 0.3529 0.1575 0.4741 0.102 Uiso 1 1 calc R . .
H22B H 0.3563 0.2342 0.5210 0.102 Uiso 1 1 calc R . .
C23 C 0.41447(18) 0.1934(4) 0.4915(3) 0.0597(15) Uani 1 1 d U . .
H23A H 0.4183 0.2324 0.4495 0.072 Uiso 1 1 calc R . .
C24 C 0.4440(2) 0.1365(3) 0.4887(3) 0.0507(13) Uani 1 1 d U . .
H24A H 0.4658 0.1427 0.4459 0.061 Uiso 1 1 calc R . .
C25 C 0.4357(3) 0.0579(4) 0.5107(4) 0.0709(17) Uani 1 1 d U . .
H25A H 0.4538 0.0258 0.4773 0.085 Uiso 1 1 calc R . .
H25B H 0.4049 0.0462 0.4967 0.085 Uiso 1 1 calc R . .
C26 C 0.4451(3) 0.0396(5) 0.6017(5) 0.081(2) Uani 1 1 d U . .
H26A H 0.4259 -0.0010 0.6178 0.098 Uiso 1 1 calc R . .
H26B H 0.4755 0.0223 0.6089 0.098 Uiso 1 1 calc R . .
C27 C 0.15385(15) 0.1795(3) 0.6570(3) 0.0336(10) Uani 1 1 d . . .
C28 C 0.11833(15) 0.1983(3) 0.5358(3) 0.0441(12) Uani 1 1 d . . .
H28A H 0.1121 0.2155 0.4821 0.053 Uiso 1 1 calc R . .
C29 C 0.09265(16) 0.1560(3) 0.5809(3) 0.0449(13) Uani 1 1 d . . .
H29A H 0.0650 0.1368 0.5650 0.054 Uiso 1 1 calc R . .
C30 C 0.09902(17) 0.0988(3) 0.7189(3) 0.0422(12) Uani 1 1 d . . .
H30A H 0.1174 0.0541 0.7227 0.051 Uiso 1 1 calc R . .
H30B H 0.0689 0.0831 0.7047 0.051 Uiso 1 1 calc R . .
C31 C 0.09993(16) 0.1366(3) 0.7994(3) 0.0354(10) Uani 1 1 d . . .
C32 C 0.07037(15) 0.1336(3) 0.8580(3) 0.0388(11) Uani 1 1 d . . .
H32A H 0.0432 0.1089 0.8557 0.047 Uiso 1 1 calc R . .
C33 C 0.08845(14) 0.1746(3) 0.9222(3) 0.0386(10) Uani 1 1 d . . .
C34 C 0.06898(16) 0.1947(4) 0.9991(3) 0.0490(13) Uani 1 1 d . . .
H34A H 0.0560 0.2445 0.9938 0.059 Uiso 1 1 calc R . .
H34B H 0.0454 0.1597 1.0102 0.059 Uiso 1 1 calc R . .
C35 C 0.09365(16) 0.1573(3) 1.1402(3) 0.0426(12) Uani 1 1 d . . .
H35A H 0.0698 0.1267 1.1529 0.051 Uiso 1 1 calc R . .
C36 C 0.12836(17) 0.1744(3) 1.1884(3) 0.0410(11) Uani 1 1 d . . .
H36A H 0.1337 0.1580 1.2426 0.049 Uiso 1 1 calc R . .
C37 C 0.13735(16) 0.2333(3) 1.0682(3) 0.0357(10) Uani 1 1 d . . .
C38 C 0.19228(17) 0.2520(3) 0.5519(3) 0.0397(11) Uani 1 1 d . C .
C39 C 0.1981(2) 0.3271(3) 0.5724(3) 0.0527(15) Uani 1 1 d . . .
C40 C 0.2337(3) 0.3622(4) 0.5406(4) 0.072(2) Uani 1 1 d . C .
H40A H 0.2395 0.4121 0.5544 0.086 Uiso 1 1 calc R . .
C41 C 0.2607(3) 0.3256(4) 0.4891(5) 0.0698(19) Uani 1 1 d . . .
H41A H 0.2849 0.3509 0.4684 0.084 Uiso 1 1 calc R C .
C42 C 0.25367(19) 0.2543(4) 0.4674(4) 0.0548(15) Uani 1 1 d . C .
H42A H 0.2725 0.2306 0.4312 0.066 Uiso 1 1 calc R . .
C43 C 0.21823(17) 0.2153(3) 0.4986(3) 0.0423(12) Uani 1 1 d . . .
C44 C 0.1683(2) 0.3657(3) 0.6289(4) 0.0649(16) Uani 0.28(3) 1 d PDU C 1
H44 H 0.1532 0.3315 0.6661 0.078 Uiso 0.28(3) 1 calc PR C 1
C45 C 0.1361(13) 0.4085(17) 0.5664(19) 0.095(3) Uani 0.28(3) 1 d PDU C 1
H45A H 0.1148 0.4363 0.5967 0.143 Uiso 0.28(3) 1 calc PR C 1
H45B H 0.1211 0.3729 0.5306 0.143 Uiso 0.28(3) 1 calc PR C 1
H45C H 0.1529 0.4426 0.5337 0.143 Uiso 0.28(3) 1 calc PR C 1
C46 C 0.2045(10) 0.4162(18) 0.674(2) 0.070(3) Uani 0.28(3) 1 d PDU C 1
H46A H 0.1908 0.4469 0.7151 0.104 Uiso 0.28(3) 1 calc PR C 1
H46B H 0.2182 0.4479 0.6347 0.104 Uiso 0.28(3) 1 calc PR C 1
H46C H 0.2265 0.3847 0.7012 0.104 Uiso 0.28(3) 1 calc PR C 1
C44' C 0.1683(2) 0.3657(3) 0.6289(4) 0.0649(16) Uani 0.72(3) 1 d PD C 2
H44' H 0.1616 0.3282 0.6711 0.078 Uiso 0.72(3) 1 calc PR C 2
C45' C 0.1224(4) 0.3841(11) 0.5838(9) 0.095(3) Uani 0.72(3) 1 d PD C 2
H45D H 0.1036 0.4091 0.6218 0.143 Uiso 0.72(3) 1 calc PR C 2
H45E H 0.1086 0.3382 0.5650 0.143 Uiso 0.72(3) 1 calc PR C 2
H45F H 0.1270 0.4163 0.5372 0.143 Uiso 0.72(3) 1 calc PR C 2
C46' C 0.1895(6) 0.4337(6) 0.6785(8) 0.070(3) Uani 0.72(3) 1 d PD C 2
H46D H 0.1680 0.4549 0.7139 0.104 Uiso 0.72(3) 1 calc PR C 2
H46E H 0.1989 0.4713 0.6402 0.104 Uiso 0.72(3) 1 calc PR C 2
H46F H 0.2146 0.4164 0.7115 0.104 Uiso 0.72(3) 1 calc PR C 2
C47 C 0.21234(18) 0.1360(3) 0.4731(3) 0.0469(13) Uani 1 1 d . C .
H47A H 0.1919 0.1127 0.5112 0.056 Uiso 1 1 calc R . .
C48 C 0.1909(2) 0.1326(4) 0.3873(4) 0.0680(19) Uani 1 1 d . . .
H48A H 0.1652 0.1642 0.3848 0.102 Uiso 1 1 calc R C .
H48B H 0.1823 0.0817 0.3748 0.102 Uiso 1 1 calc R . .
H48C H 0.2115 0.1495 0.3475 0.102 Uiso 1 1 calc R . .
C49 C 0.2529(3) 0.0918(4) 0.4760(5) 0.072(2) Uani 1 1 d . . .
H49A H 0.2707 0.1054 0.5243 0.109 Uiso 1 1 calc R C .
H49B H 0.2692 0.1015 0.4272 0.109 Uiso 1 1 calc R . .
H49C H 0.2457 0.0393 0.4785 0.109 Uiso 1 1 calc R . .
C50 C 0.19407(16) 0.2532(3) 1.1820(3) 0.0351(10) Uani 1 1 d . . .
C51 C 0.18855(17) 0.3132(3) 1.2343(3) 0.0391(11) Uani 1 1 d . . .
C52 C 0.2263(2) 0.3433(3) 1.2714(3) 0.0488(14) Uani 1 1 d . . .
H52A H 0.2240 0.3837 1.3076 0.059 Uiso 1 1 calc R . .
C53 C 0.2658(2) 0.3161(4) 1.2565(4) 0.0587(16) Uani 1 1 d . . .
H53A H 0.2909 0.3385 1.2811 0.070 Uiso 1 1 calc R . .
C54 C 0.27059(19) 0.2550(4) 1.2053(4) 0.0540(14) Uani 1 1 d . . .
H54A H 0.2987 0.2360 1.1964 0.065 Uiso 1 1 calc R . .
C55 C 0.23415(18) 0.2219(3) 1.1672(3) 0.0451(12) Uani 1 1 d . . .
C56 C 0.14451(18) 0.3447(3) 1.2509(3) 0.0470(13) Uani 1 1 d . . .
H56A H 0.1233 0.3252 1.2087 0.056 Uiso 1 1 calc R . .
C57 C 0.1285(3) 0.3216(5) 1.3359(4) 0.084(2) Uani 1 1 d . . .
H57A H 0.1030 0.3509 1.3488 0.125 Uiso 1 1 calc R . .
H57B H 0.1517 0.3303 1.3772 0.125 Uiso 1 1 calc R . .
H57C H 0.1209 0.2692 1.3351 0.125 Uiso 1 1 calc R . .
C58 C 0.1429(2) 0.4292(4) 1.2475(5) 0.0694(19) Uani 1 1 d . . .
H58A H 0.1509 0.4459 1.1935 0.104 Uiso 1 1 calc R . .
H58B H 0.1633 0.4497 1.2887 0.104 Uiso 1 1 calc R . .
H58C H 0.1134 0.4460 1.2581 0.104 Uiso 1 1 calc R . .
C59 C 0.23933(18) 0.1538(3) 1.1146(4) 0.0517(14) Uani 1 1 d . . .
H59A H 0.2151 0.1548 1.0725 0.062 Uiso 1 1 calc R . .
C60 C 0.2810(2) 0.1541(5) 1.0697(4) 0.077(2) Uani 1 1 d . . .
H60A H 0.2865 0.2038 1.0493 0.116 Uiso 1 1 calc R . .
H60B H 0.2785 0.1196 1.0239 0.116 Uiso 1 1 calc R . .
H60C H 0.3050 0.1389 1.1066 0.116 Uiso 1 1 calc R . .
C61 C 0.2328(3) 0.0851(4) 1.1660(5) 0.0690(18) Uani 1 1 d . . .
H61A H 0.2058 0.0897 1.1950 0.104 Uiso 1 1 calc R . .
H61B H 0.2573 0.0798 1.2053 0.104 Uiso 1 1 calc R . .
H61C H 0.2312 0.0417 1.1307 0.104 Uiso 1 1 calc R . .
C62 C 0.24122(19) 0.1173(4) 0.6965(4) 0.0550(14) Uani 1 1 d U . .
H62A H 0.2324 0.1059 0.6389 0.066 Uiso 1 1 calc R . .
C63 C 0.25308(16) 0.1883(3) 0.7091(3) 0.0466(12) Uani 1 1 d U . .
H63A H 0.2510 0.2192 0.6588 0.056 Uiso 1 1 calc R . .
C64 C 0.2870(2) 0.2146(4) 0.7704(4) 0.0654(16) Uani 1 1 d U . .
H64A H 0.3146 0.1894 0.7592 0.078 Uiso 1 1 calc R . .
H64B H 0.2915 0.2679 0.7616 0.078 Uiso 1 1 calc R . .
C65 C 0.2780(3) 0.2034(5) 0.8549(5) 0.0832(19) Uani 1 1 d U . .
H65A H 0.2815 0.2512 0.8832 0.100 Uiso 1 1 calc R . .
H65B H 0.3004 0.1697 0.8785 0.100 Uiso 1 1 calc R . .
C66 C 0.23290(17) 0.1718(5) 0.8740(3) 0.0633(15) Uani 1 1 d U . .
H66A H 0.2190 0.1958 0.9211 0.076 Uiso 1 1 calc R . .
C67 C 0.2203(2) 0.1037(5) 0.8601(4) 0.0677(17) Uani 1 1 d U . .
H67A H 0.1988 0.0848 0.8989 0.081 Uiso 1 1 calc R . .
C68 C 0.2485(3) 0.0450(5) 0.8250(6) 0.094(2) Uani 1 1 d U . .
H68A H 0.2756 0.0422 0.8590 0.112 Uiso 1 1 calc R . .
H68B H 0.2334 -0.0028 0.8303 0.112 Uiso 1 1 calc R . .
C69 C 0.2601(3) 0.0526(5) 0.7429(5) 0.0791(19) Uani 1 1 d U . .
H69A H 0.2513 0.0070 0.7135 0.095 Uiso 1 1 calc R . .
H69B H 0.2921 0.0559 0.7419 0.095 Uiso 1 1 calc R . .
C70 C 0.1847(2) 0.3412(4) 0.8613(4) 0.0600(15) Uani 1 1 d U . .
H70A H 0.1931 0.3059 0.8180 0.072 Uiso 1 1 calc R . .
C71 C 0.1429(3) 0.3583(4) 0.8602(4) 0.0663(16) Uani 1 1 d U . .
H71A H 0.1254 0.3331 0.8159 0.080 Uiso 1 1 calc R . .
C72 C 0.1228(3) 0.4284(6) 0.8887(6) 0.100(2) Uani 1 1 d U . .
H72A H 0.1312 0.4686 0.8519 0.119 Uiso 1 1 calc R . .
H72B H 0.0908 0.4232 0.8830 0.119 Uiso 1 1 calc R . .
C73 C 0.1332(4) 0.4493(6) 0.9664(6) 0.103(2) Uani 1 1 d U . .
H73A H 0.1064 0.4685 0.9902 0.123 Uiso 1 1 calc R . .
H73B H 0.1537 0.4910 0.9638 0.123 Uiso 1 1 calc R . .
C74 C 0.1534(3) 0.3912(3) 1.0271(4) 0.0692(17) Uani 1 1 d U . .
H74A H 0.1400 0.3898 1.0813 0.083 Uiso 1 1 calc R . .
C75 C 0.1951(3) 0.3704(3) 1.0276(4) 0.0626(16) Uani 1 1 d U . .
H75A H 0.2067 0.3541 1.0822 0.075 Uiso 1 1 calc R . .
C76 C 0.2305(2) 0.3983(4) 0.9712(4) 0.0716(17) Uani 1 1 d U . .
H76A H 0.2367 0.4506 0.9840 0.086 Uiso 1 1 calc R . .
H76B H 0.2574 0.3699 0.9827 0.086 Uiso 1 1 calc R . .
C77 C 0.2193(3) 0.3925(6) 0.8888(5) 0.093(2) Uani 1 1 d U . .
H77A H 0.2459 0.3786 0.8606 0.111 Uiso 1 1 calc R . .
H77B H 0.2109 0.4422 0.8693 0.111 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C1 Rh1 N3 85.36(17) . . ?
C1 Rh1 C20 93.0(2) . . ?
N3 Rh1 C20 156.0(2) . . ?
C1 Rh1 C19 96.1(2) . . ?
N3 Rh1 C19 166.6(2) . . ?
C20 Rh1 C19 37.4(3) . . ?
C1 Rh1 C23 150.0(2) . . ?
N3 Rh1 C23 87.5(2) . . ?
C20 Rh1 C23 82.0(2) . . ?
C19 Rh1 C23 97.5(3) . . ?
C1 Rh1 C24 173.0(2) . . ?
N3 Rh1 C24 94.62(18) . . ?
C20 Rh1 C24 89.8(2) . . ?
C19 Rh1 C24 82.3(2) . . ?
C23 Rh1 C24 36.8(2) . . ?
C27 Rh2 N6 86.38(16) . . ?
C27 Rh2 C62 90.5(2) . . ?
N6 Rh2 C62 156.7(2) . . ?
C27 Rh2 C63 97.39(19) . . ?
N6 Rh2 C63 166.00(19) . . ?
C62 Rh2 C63 37.2(2) . . ?
C27 Rh2 C67 150.8(3) . . ?
N6 Rh2 C67 89.6(2) . . ?
C62 Rh2 C67 81.9(3) . . ?
C63 Rh2 C67 93.4(2) . . ?
C27 Rh2 C66 174.0(3) . . ?
N6 Rh2 C66 93.06(17) . . ?
C62 Rh2 C66 92.3(2) . . ?
C63 Rh2 C66 81.8(2) . . ?
C67 Rh2 C66 35.1(3) . . ?
C37 Rh3 C74 92.3(2) . . ?
C37 Rh3 N7 85.44(17) . . ?
C74 Rh3 N7 154.6(3) . . ?
C37 Rh3 C75 97.2(2) . . ?
C74 Rh3 C75 36.8(3) . . ?
N7 Rh3 C75 168.5(3) . . ?
C37 Rh3 C71 154.5(2) . . ?
C74 Rh3 C71 82.8(3) . . ?
N7 Rh3 C71 88.4(2) . . ?
C75 Rh3 C71 93.8(3) . . ?
C37 Rh3 C70 170.1(3) . . ?
C74 Rh3 C70 91.2(2) . . ?
N7 Rh3 C70 95.32(19) . . ?
C75 Rh3 C70 80.2(2) . . ?
C71 Rh3 C70 35.3(3) . . ?
F2 P1 F6 90.4(3) . . ?
F2 P1 F1 92.5(3) . . ?
F6 P1 F1 88.3(2) . . ?
F2 P1 F5 88.9(3) . . ?
F6 P1 F5 179.3(3) . . ?
F1 P1 F5 91.8(2) . . ?
F2 P1 F3 91.8(3) . . ?
F6 P1 F3 91.6(2) . . ?
F1 P1 F3 175.7(3) . . ?
F5 P1 F3 88.4(2) . . ?
F2 P1 F4 178.0(3) . . ?
F6 P1 F4 88.6(2) . . ?
F1 P1 F4 89.3(3) . . ?
F5 P1 F4 92.1(3) . . ?
F3 P1 F4 86.4(3) . . ?
F11 P2 F12 90.1(2) . . ?
F11 P2 F7 90.0(2) . . ?
F12 P2 F7 179.9(3) . . ?
F11 P2 F10 89.8(2) . . ?
F12 P2 F10 90.0(2) . . ?
F7 P2 F10 90.0(2) . . ?
F11 P2 F9 179.6(4) . . ?
F12 P2 F9 89.9(2) . . ?
F7 P2 F9 89.9(2) . . ?
F10 P2 F9 89.8(2) . . ?
F11 P2 F8 90.6(4) . . ?
F12 P2 F8 90.0(2) . . ?
F7 P2 F8 90.0(2) . . ?
F10 P2 F8 179.6(4) . . ?
F9 P2 F8 89.7(2) . . ?
C1 N1 C2 110.5(4) . . ?
C1 N1 C4 127.3(4) . . ?
C2 N1 C4 122.1(4) . . ?
C1 N2 C3 113.9(5) . . ?
C1 N2 C16 123.6(5) . . ?
C3 N2 C16 122.4(5) . . ?
C17 N3 N3 107.6(3) . 2_656 ?
C17 N3 Rh1 118.9(3) . . ?
N3 N3 Rh1 132.05(14) 2_656 . ?
C27 N4 C28 111.3(4) . . ?
C27 N4 C38 126.9(4) . . ?
C28 N4 C38 121.6(4) . . ?
C27 N5 C29 112.1(4) . . ?
C27 N5 C30 124.0(4) . . ?
C29 N5 C30 123.6(4) . . ?
C31 N6 N7 107.6(4) . . ?
C31 N6 Rh2 119.2(3) . . ?
N7 N6 Rh2 130.6(3) . . ?
C33 N7 N6 107.6(4) . . ?
C33 N7 Rh3 119.2(3) . . ?
N6 N7 Rh3 129.9(3) . . ?
C37 N8 C35 112.9(4) . . ?
C37 N8 C34 123.5(4) . . ?
C35 N8 C34 123.4(4) . . ?
C37 N9 C36 110.6(4) . . ?
C37 N9 C50 127.2(4) . . ?
C36 N9 C50 122.0(4) . . ?
N2 C1 N1 103.6(4) . . ?
N2 C1 Rh1 118.2(3) . . ?
N1 C1 Rh1 138.2(4) . . ?
C3 C2 N1 107.6(5) . . ?
C3 C2 H2A 126.2 . . ?
N1 C2 H2A 126.2 . . ?
C2 C3 N2 104.3(5) . . ?
C2 C3 H3A 127.8 . . ?
N2 C3 H3A 127.8 . . ?
C9 C4 C5 122.0(6) . . ?
C9 C4 N1 119.9(5) . . ?
C5 C4 N1 118.1(5) . . ?
C4 C5 C6 116.9(7) . . ?
C4 C5 C10 121.5(6) . . ?
C6 C5 C10 121.4(6) . . ?
C7 C6 C5 122.4(7) . . ?
C7 C6 H6A 118.8 . . ?
C5 C6 H6A 118.8 . . ?
C6 C7 C8 119.4(8) . . ?
C6 C7 H7A 120.3 . . ?
C8 C7 H7A 120.3 . . ?
C9 C8 C7 121.9(7) . . ?
C9 C8 H8A 119.0 . . ?
C7 C8 H8A 119.0 . . ?
C8 C9 C4 117.1(6) . . ?
C8 C9 C13 120.2(6) . . ?
C4 C9 C13 122.7(5) . . ?
C11 C10 C12 104.5(8) . . ?
C11 C10 C5 118.9(8) . . ?
C12 C10 C5 109.8(7) . . ?
C11 C10 H10 107.8 . . ?
C12 C10 H10 107.8 . . ?
C5 C10 H10 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
H11D C11' H11E 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
H12D C12' H12E 109.5 . . ?
H12D C12' H12F 109.5 . . ?
H12E C12' H12F 109.5 . . ?
C14 C13 C9 115.9(8) . . ?
C14 C13 C15 109.9(7) . . ?
C9 C13 C15 110.2(5) . . ?
C14 C13 H13A 106.8 . . ?
C9 C13 H13A 106.8 . . ?
C15 C13 H13A 106.8 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C17 110.1(5) . . ?
N2 C16 H16A 109.6 . . ?
C17 C16 H16A 109.6 . . ?
N2 C16 H16B 109.6 . . ?
C17 C16 H16B 109.6 . . ?
H16A C16 H16B 108.2 . . ?
N3 C17 C18 110.6(5) . . ?
N3 C17 C16 120.9(5) . . ?
C18 C17 C16 128.4(5) . . ?
C17 C18 C17 103.5(6) 2_656 . ?
C17 C18 H18A 128.2 2_656 . ?
C17 C18 H18A 128.2 . . ?
C20 C19 C26 126.5(7) . . ?
C20 C19 Rh1 71.1(4) . . ?
C26 C19 Rh1 109.0(5) . . ?
C20 C19 H19A 113.9 . . ?
C26 C19 H19A 113.9 . . ?
Rh1 C19 H19A 113.9 . . ?
C19 C20 C21 124.5(6) . . ?
C19 C20 Rh1 71.5(3) . . ?
C21 C20 Rh1 112.8(4) . . ?
C19 C20 H20A 113.6 . . ?
C21 C20 H20A 113.6 . . ?
Rh1 C20 H20A 113.6 . . ?
C22 C21 C20 111.4(6) . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C23 C22 C21 116.7(7) . . ?
C23 C22 H22A 108.1 . . ?
C21 C22 H22A 108.1 . . ?
C23 C22 H22B 108.1 . . ?
C21 C22 H22B 108.1 . . ?
H22A C22 H22B 107.3 . . ?
C24 C23 C22 124.0(7) . . ?
C24 C23 Rh1 73.0(3) . . ?
C22 C23 Rh1 109.3(4) . . ?
C24 C23 H23A 114.3 . . ?
C22 C23 H23A 114.3 . . ?
Rh1 C23 H23A 114.3 . . ?
C23 C24 C25 125.9(6) . . ?
C23 C24 Rh1 70.1(3) . . ?
C25 C24 Rh1 111.3(4) . . ?
C23 C24 H24A 113.8 . . ?
C25 C24 H24A 113.8 . . ?
Rh1 C24 H24A 113.8 . . ?
C24 C25 C26 114.1(6) . . ?
C24 C25 H25A 108.7 . . ?
C26 C25 H25A 108.7 . . ?
C24 C25 H25B 108.7 . . ?
C26 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
C19 C26 C25 113.3(7) . . ?
C19 C26 H26A 108.9 . . ?
C25 C26 H26A 108.9 . . ?
C19 C26 H26B 108.9 . . ?
C25 C26 H26B 108.9 . . ?
H26A C26 H26B 107.7 . . ?
N4 C27 N5 103.7(4) . . ?
N4 C27 Rh2 138.2(4) . . ?
N5 C27 Rh2 118.0(3) . . ?
C29 C28 N4 106.5(4) . . ?
C29 C28 H28A 126.8 . . ?
N4 C28 H28A 126.8 . . ?
C28 C29 N5 106.3(4) . . ?
C28 C29 H29A 126.8 . . ?
N5 C29 H29A 126.8 . . ?
N5 C30 C31 112.3(4) . . ?
N5 C30 H30A 109.1 . . ?
C31 C30 H30A 109.1 . . ?
N5 C30 H30B 109.1 . . ?
C31 C30 H30B 109.1 . . ?
H30A C30 H30B 107.9 . . ?
C32 C31 N6 110.5(4) . . ?
C32 C31 C30 128.7(4) . . ?
N6 C31 C30 120.7(4) . . ?
C31 C32 C33 105.0(4) . . ?
C31 C32 H32A 127.5 . . ?
C33 C32 H32A 127.5 . . ?
N7 C33 C32 109.3(4) . . ?
N7 C33 C34 121.9(5) . . ?
C32 C33 C34 128.6(4) . . ?
N8 C34 C33 112.4(4) . . ?
N8 C34 H34A 109.1 . . ?
C33 C34 H34A 109.1 . . ?
N8 C34 H34B 109.1 . . ?
C33 C34 H34B 109.1 . . ?
H34A C34 H34B 107.9 . . ?
C36 C35 N8 105.0(4) . . ?
C36 C35 H35A 127.5 . . ?
N8 C35 H35A 127.5 . . ?
C35 C36 N9 108.1(4) . . ?
C35 C36 H36A 126.0 . . ?
N9 C36 H36A 126.0 . . ?
N8 C37 N9 103.4(4) . . ?
N8 C37 Rh3 120.0(3) . . ?
N9 C37 Rh3 136.5(3) . . ?
C43 C38 C39 123.1(5) . . ?
C43 C38 N4 117.5(5) . . ?
C39 C38 N4 119.3(5) . . ?
C40 C39 C38 116.5(6) . . ?
C40 C39 C44 122.0(6) . . ?
C38 C39 C44 121.4(6) . . ?
C41 C40 C39 121.1(6) . . ?
C41 C40 H40A 119.5 . . ?
C39 C40 H40A 119.5 . . ?
C42 C41 C40 121.7(6) . . ?
C42 C41 H41A 119.2 . . ?
C40 C41 H41A 119.2 . . ?
C41 C42 C43 119.9(6) . . ?
C41 C42 H42A 120.0 . . ?
C43 C42 H42A 120.0 . . ?
C38 C43 C42 117.7(5) . . ?
C38 C43 C47 124.8(5) . . ?
C42 C43 C47 117.5(5) . . ?
C39 C44 C45 101.9(15) . . ?
C39 C44 C46 97.2(15) . . ?
C45 C44 C46 115.1(10) . . ?
C39 C44 H44 113.6 . . ?
C45 C44 H44 113.6 . . ?
C46 C44 H44 113.6 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
H45D C45' H45E 109.5 . . ?
H45D C45' H45F 109.5 . . ?
H45E C45' H45F 109.5 . . ?
H46D C46' H46E 109.5 . . ?
H46D C46' H46F 109.5 . . ?
H46E C46' H46F 109.5 . . ?
C49 C47 C43 114.5(5) . . ?
C49 C47 C48 109.8(5) . . ?
C43 C47 C48 109.8(5) . . ?
C49 C47 H47A 107.5 . . ?
C43 C47 H47A 107.5 . . ?
C48 C47 H47A 107.5 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C55 C50 C51 123.7(5) . . ?
C55 C50 N9 119.1(4) . . ?
C51 C50 N9 117.2(4) . . ?
C50 C51 C52 116.8(5) . . ?
C50 C51 C56 122.5(4) . . ?
C52 C51 C56 120.7(5) . . ?
C53 C52 C51 121.2(5) . . ?
C53 C52 H52A 119.4 . . ?
C51 C52 H52A 119.4 . . ?
C52 C53 C54 121.1(5) . . ?
C52 C53 H53A 119.4 . . ?
C54 C53 H53A 119.4 . . ?
C55 C54 C53 120.4(6) . . ?
C55 C54 H54A 119.8 . . ?
C53 C54 H54A 119.8 . . ?
C50 C55 C54 116.7(5) . . ?
C50 C55 C59 123.1(5) . . ?
C54 C55 C59 120.2(5) . . ?
C51 C56 C58 113.6(5) . . ?
C51 C56 C57 112.3(6) . . ?
C58 C56 C57 106.8(5) . . ?
C51 C56 H56A 108.0 . . ?
C58 C56 H56A 108.0 . . ?
C57 C56 H56A 108.0 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 C55 112.8(6) . . ?
C60 C59 C61 114.1(6) . . ?
C55 C59 C61 109.2(5) . . ?
C60 C59 H59A 106.7 . . ?
C55 C59 H59A 106.7 . . ?
C61 C59 H59A 106.7 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C63 C62 C69 124.7(6) . . ?
C63 C62 Rh2 71.9(3) . . ?
C69 C62 Rh2 111.2(5) . . ?
C63 C62 H62A 113.9 . . ?
C69 C62 H62A 113.9 . . ?
Rh2 C62 H62A 113.9 . . ?
C62 C63 C64 125.5(5) . . ?
C62 C63 Rh2 70.9(3) . . ?
C64 C63 Rh2 112.1(4) . . ?
C62 C63 H63A 113.5 . . ?
C64 C63 H63A 113.5 . . ?
Rh2 C63 H63A 113.5 . . ?
C65 C64 C63 116.7(6) . . ?
C65 C64 H64A 108.1 . . ?
C63 C64 H64A 108.1 . . ?
C65 C64 H64B 108.1 . . ?
C63 C64 H64B 108.1 . . ?
H64A C64 H64B 107.3 . . ?
C64 C65 C66 117.0(6) . . ?
C64 C65 H65A 108.0 . . ?
C66 C65 H65A 108.0 . . ?
C64 C65 H65B 108.0 . . ?
C66 C65 H65B 108.0 . . ?
H65A C65 H65B 107.3 . . ?
C67 C66 C65 125.0(7) . . ?
C67 C66 Rh2 71.4(4) . . ?
C65 C66 Rh2 109.0(4) . . ?
C67 C66 H66A 114.3 . . ?
C65 C66 H66A 114.3 . . ?
Rh2 C66 H66A 114.3 . . ?
C66 C67 C68 124.3(7) . . ?
C66 C67 Rh2 73.5(4) . . ?
C68 C67 Rh2 109.0(5) . . ?
C66 C67 H67A 114.2 . . ?
C68 C67 H67A 114.2 . . ?
Rh2 C67 H67A 114.2 . . ?
C69 C68 C67 117.9(7) . . ?
C69 C68 H68A 107.8 . . ?
C67 C68 H68A 107.8 . . ?
C69 C68 H68B 107.8 . . ?
C67 C68 H68B 107.8 . . ?
H68A C68 H68B 107.2 . . ?
C68 C69 C62 116.9(7) . . ?
C68 C69 H69A 108.1 . . ?
C62 C69 H69A 108.1 . . ?
C68 C69 H69B 108.1 . . ?
C62 C69 H69B 108.1 . . ?
H69A C69 H69B 107.3 . . ?
C71 C70 C77 123.2(7) . . ?
C71 C70 Rh3 71.0(4) . . ?
C77 C70 Rh3 110.1(5) . . ?
C71 C70 H70A 114.8 . . ?
C77 C70 H70A 114.8 . . ?
Rh3 C70 H70A 114.8 . . ?
C70 C71 C72 127.5(8) . . ?
C70 C71 Rh3 73.7(4) . . ?
C72 C71 Rh3 107.0(5) . . ?
C70 C71 H71A 113.5 . . ?
C72 C71 H71A 113.5 . . ?
Rh3 C71 H71A 113.5 . . ?
C73 C72 C71 116.5(9) . . ?
C73 C72 H72A 108.2 . . ?
C71 C72 H72A 108.2 . . ?
C73 C72 H72B 108.2 . . ?
C71 C72 H72B 108.2 . . ?
H72A C72 H72B 107.3 . . ?
C72 C73 C74 119.1(9) . . ?
C72 C73 H73A 107.5 . . ?
C74 C73 H73A 107.5 . . ?
C72 C73 H73B 107.5 . . ?
C74 C73 H73B 107.5 . . ?
H73A C73 H73B 107.0 . . ?
C75 C74 C73 123.6(7) . . ?
C75 C74 Rh3 73.5(4) . . ?
C73 C74 Rh3 107.7(5) . . ?
C75 C74 H74A 114.7 . . ?
C73 C74 H74A 114.7 . . ?
Rh3 C74 H74A 114.7 . . ?
C74 C75 C76 127.1(6) . . ?
C74 C75 Rh3 69.7(4) . . ?
C76 C75 Rh3 110.5(4) . . ?
C74 C75 H75A 113.6 . . ?
C76 C75 H75A 113.6 . . ?
Rh3 C75 H75A 113.6 . . ?
C77 C76 C75 114.0(6) . . ?
C77 C76 H76A 108.7 . . ?
C75 C76 H76A 108.7 . . ?
C77 C76 H76B 108.7 . . ?
C75 C76 H76B 108.7 . . ?
H76A C76 H76B 107.6 . . ?
C76 C77 C70 119.8(7) . . ?
C76 C77 H77A 107.4 . . ?
C70 C77 H77A 107.4 . . ?
C76 C77 H77B 107.4 . . ?
C70 C77 H77B 107.4 . . ?
H77A C77 H77B 106.9 . . ?
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 C1 2.069(4) . ?
Rh1 N3 2.095(4) . ?
Rh1 C20 2.137(6) . ?
Rh1 C19 2.142(6) . ?
Rh1 C23 2.163(5) . ?
Rh1 C24 2.200(5) . ?
Rh2 C27 2.067(5) . ?
Rh2 N6 2.093(4) . ?
Rh2 C62 2.116(5) . ?
Rh2 C63 2.128(5) . ?
Rh2 C67 2.165(6) . ?
Rh2 C66 2.191(5) . ?
Rh3 C37 2.054(5) . ?
Rh3 C74 2.094(6) . ?
Rh3 N7 2.097(4) . ?
Rh3 C75 2.141(6) . ?
Rh3 C71 2.171(6) . ?
Rh3 C70 2.203(6) . ?
P1 F2 1.561(4) . ?
P1 F6 1.570(4) . ?
P1 F1 1.584(4) . ?
P1 F5 1.587(3) . ?
P1 F3 1.598(4) . ?
P1 F4 1.599(4) . ?
P2 F11 1.574(4) . ?
P2 F12 1.574(4) . ?
P2 F7 1.575(4) . ?
P2 F10 1.576(4) . ?
P2 F9 1.577(4) . ?
P2 F8 1.578(4) . ?
N1 C1 1.374(6) . ?
N1 C2 1.396(7) . ?
N1 C4 1.420(7) . ?
N2 C1 1.351(6) . ?
N2 C3 1.386(7) . ?
N2 C16 1.443(7) . ?
N3 C17 1.340(6) . ?
N3 N3 1.359(7) 2_656 ?
N4 C27 1.351(6) . ?
N4 C28 1.392(6) . ?
N4 C38 1.454(7) . ?
N5 C27 1.355(6) . ?
N5 C29 1.376(6) . ?
N5 C30 1.460(6) . ?
N6 C31 1.355(6) . ?
N6 N7 1.361(5) . ?
N7 C33 1.354(6) . ?
N8 C37 1.344(6) . ?
N8 C35 1.405(6) . ?
N8 C34 1.447(6) . ?
N9 C37 1.380(6) . ?
N9 C36 1.388(6) . ?
N9 C50 1.455(6) . ?
C2 C3 1.376(9) . ?
C2 H2A 0.9500 . ?
C3 H3A 0.9500 . ?
C4 C9 1.389(8) . ?
C4 C5 1.390(8) . ?
C5 C6 1.390(11) . ?
C5 C10 1.565(11) . ?
C6 C7 1.329(12) . ?
C6 H6A 0.9500 . ?
C7 C8 1.375(11) . ?
C7 H7A 0.9500 . ?
C8 C9 1.373(9) . ?
C8 H8A 0.9500 . ?
C9 C13 1.510(8) . ?
C10 C11 1.477(8) . ?
C10 C12 1.482(8) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C11' H11D 0.9800 . ?
C11' H11E 0.9800 . ?
C11' H11F 0.9800 . ?
C12' H12D 0.9800 . ?
C12' H12E 0.9800 . ?
C12' H12F 0.9800 . ?
C13 C14 1.504(12) . ?
C13 C15 1.586(10) . ?
C13 H13A 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.533(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.383(7) . ?
C18 C17 1.383(7) 2_656 ?
C18 H18A 0.9500 . ?
C19 C20 1.372(10) . ?
C19 C26 1.527(11) . ?
C19 H19A 1.0000 . ?
C20 C21 1.554(10) . ?
C20 H20A 1.0000 . ?
C21 C22 1.517(11) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.476(10) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.379(9) . ?
C23 H23A 1.0000 . ?
C24 C25 1.498(10) . ?
C24 H24A 1.0000 . ?
C25 C26 1.553(11) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C28 C29 1.347(8) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 C31 1.493(7) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.354(7) . ?
C32 C33 1.393(7) . ?
C32 H32A 0.9500 . ?
C33 C34 1.469(7) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.345(7) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C38 C43 1.382(7) . ?
C38 C39 1.414(8) . ?
C39 C40 1.390(10) . ?
C39 C44 1.505(9) . ?
C40 C41 1.383(11) . ?
C40 H40A 0.9500 . ?
C41 C42 1.358(10) . ?
C41 H41A 0.9500 . ?
C42 C43 1.416(8) . ?
C42 H42A 0.9500 . ?
C43 C47 1.509(8) . ?
C44 C45 1.604(8) . ?
C44 C46 1.607(8) . ?
C44 H44 1.0000 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C45' H45D 0.9800 . ?
C45' H45E 0.9800 . ?
C45' H45F 0.9800 . ?
C46' H46D 0.9800 . ?
C46' H46E 0.9800 . ?
C46' H46F 0.9800 . ?
C47 C49 1.486(9) . ?
C47 C48 1.539(8) . ?
C47 H47A 1.0000 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C55 1.391(7) . ?
C50 C51 1.402(7) . ?
C51 C52 1.406(7) . ?
C51 C56 1.509(8) . ?
C52 C53 1.346(9) . ?
C52 H52A 0.9500 . ?
C53 C54 1.404(9) . ?
C53 H53A 0.9500 . ?
C54 C55 1.401(8) . ?
C54 H54A 0.9500 . ?
C55 C59 1.522(8) . ?
C56 C58 1.536(9) . ?
C56 C57 1.560(9) . ?
C56 H56A 1.0000 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.507(9) . ?
C59 C61 1.525(9) . ?
C59 H59A 1.0000 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C63 1.354(9) . ?
C62 C69 1.507(10) . ?
C62 H62A 1.0000 . ?
C63 C64 1.502(8) . ?
C63 H63A 1.0000 . ?
C64 C65 1.445(10) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.549(10) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.312(11) . ?
C66 H66A 1.0000 . ?
C67 C68 1.506(12) . ?
C67 H67A 1.0000 . ?
C68 C69 1.419(11) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.327(10) . ?
C70 C77 1.475(11) . ?
C70 H70A 1.0000 . ?
C71 C72 1.499(12) . ?
C71 H71A 1.0000 . ?
C72 C73 1.361(13) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.566(12) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.338(10) . ?
C74 H74A 1.0000 . ?
C75 C76 1.547(10) . ?
C75 H75A 1.0000 . ?
C76 C77 1.392(11) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 H77A 0.9900 . ?
C77 H77B 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
C1 Rh1 N3 C17 -46.1(4) . . . . ?
C20 Rh1 N3 C17 40.9(7) . . . . ?
C19 Rh1 N3 C17 -142.9(9) . . . . ?
C23 Rh1 N3 C17 104.7(4) . . . . ?
C24 Rh1 N3 C17 140.9(4) . . . . ?
C1 Rh1 N3 N3 149.6(5) . . . 2_656 ?
C20 Rh1 N3 N3 -123.4(6) . . . 2_656 ?
C19 Rh1 N3 N3 52.7(12) . . . 2_656 ?
C23 Rh1 N3 N3 -59.6(5) . . . 2_656 ?
C24 Rh1 N3 N3 -23.5(6) . . . 2_656 ?
C27 Rh2 N6 C31 46.6(4) . . . . ?
C62 Rh2 N6 C31 -36.3(7) . . . . ?
C63 Rh2 N6 C31 152.8(7) . . . . ?
C67 Rh2 N6 C31 -104.5(4) . . . . ?
C66 Rh2 N6 C31 -139.4(4) . . . . ?
C27 Rh2 N6 N7 -154.3(4) . . . . ?
C62 Rh2 N6 N7 122.8(6) . . . . ?
C63 Rh2 N6 N7 -48.2(9) . . . . ?
C67 Rh2 N6 N7 54.6(5) . . . . ?
C66 Rh2 N6 N7 19.7(5) . . . . ?
C31 N6 N7 C33 -0.1(5) . . . . ?
Rh2 N6 N7 C33 -161.0(4) . . . . ?
C31 N6 N7 Rh3 -159.0(3) . . . . ?
Rh2 N6 N7 Rh3 40.1(6) . . . . ?
C37 Rh3 N7 C33 45.3(4) . . . . ?
C74 Rh3 N7 C33 -40.5(7) . . . . ?
C75 Rh3 N7 C33 149.1(9) . . . . ?
C71 Rh3 N7 C33 -109.9(4) . . . . ?
C70 Rh3 N7 C33 -144.5(4) . . . . ?
C37 Rh3 N7 N6 -157.9(4) . . . . ?
C74 Rh3 N7 N6 116.3(6) . . . . ?
C75 Rh3 N7 N6 -54.1(11) . . . . ?
C71 Rh3 N7 N6 46.9(4) . . . . ?
C70 Rh3 N7 N6 12.3(4) . . . . ?
C3 N2 C1 N1 -0.4(6) . . . . ?
C16 N2 C1 N1 -178.6(5) . . . . ?
C3 N2 C1 Rh1 180.0(4) . . . . ?
C16 N2 C1 Rh1 1.7(7) . . . . ?
C2 N1 C1 N2 0.9(6) . . . . ?
C4 N1 C1 N2 177.1(5) . . . . ?
C2 N1 C1 Rh1 -179.6(4) . . . . ?
C4 N1 C1 Rh1 -3.4(8) . . . . ?
N3 Rh1 C1 N2 41.4(4) . . . . ?
C20 Rh1 C1 N2 -114.7(4) . . . . ?
C19 Rh1 C1 N2 -152.1(4) . . . . ?
C23 Rh1 C1 N2 -35.4(7) . . . . ?
C24 Rh1 C1 N2 131.5(16) . . . . ?
N3 Rh1 C1 N1 -138.1(5) . . . . ?
C20 Rh1 C1 N1 65.8(6) . . . . ?
C19 Rh1 C1 N1 28.4(6) . . . . ?
C23 Rh1 C1 N1 145.1(5) . . . . ?
C24 Rh1 C1 N1 -48(2) . . . . ?
C1 N1 C2 C3 -1.1(6) . . . . ?
C4 N1 C2 C3 -177.5(5) . . . . ?
N1 C2 C3 N2 0.8(6) . . . . ?
C1 N2 C3 C2 -0.3(7) . . . . ?
C16 N2 C3 C2 178.0(5) . . . . ?
C1 N1 C4 C9 -100.4(6) . . . . ?
C2 N1 C4 C9 75.4(7) . . . . ?
C1 N1 C4 C5 80.6(7) . . . . ?
C2 N1 C4 C5 -103.6(6) . . . . ?
C9 C4 C5 C6 0.7(10) . . . . ?
N1 C4 C5 C6 179.7(7) . . . . ?
C9 C4 C5 C10 -174.3(5) . . . . ?
N1 C4 C5 C10 4.7(9) . . . . ?
C4 C5 C6 C7 3.9(13) . . . . ?
C10 C5 C6 C7 178.8(8) . . . . ?
C5 C6 C7 C8 -7.1(15) . . . . ?
C6 C7 C8 C9 5.8(13) . . . . ?
C7 C8 C9 C4 -1.4(10) . . . . ?
C7 C8 C9 C13 177.3(7) . . . . ?
C5 C4 C9 C8 -1.8(8) . . . . ?
N1 C4 C9 C8 179.2(5) . . . . ?
C5 C4 C9 C13 179.6(6) . . . . ?
N1 C4 C9 C13 0.6(8) . . . . ?
C4 C5 C10 C11 -163.5(8) . . . . ?
C6 C5 C10 C11 21.8(12) . . . . ?
C4 C5 C10 C12 76.4(9) . . . . ?
C6 C5 C10 C12 -98.4(10) . . . . ?
C8 C9 C13 C14 -45.3(8) . . . . ?
C4 C9 C13 C14 133.3(7) . . . . ?
C8 C9 C13 C15 80.3(8) . . . . ?
C4 C9 C13 C15 -101.1(6) . . . . ?
C1 N2 C16 C17 -55.7(8) . . . . ?
C3 N2 C16 C17 126.2(6) . . . . ?
N3 N3 C17 C18 -0.6(6) 2_656 . . . ?
Rh1 N3 C17 C18 -168.5(3) . . . . ?
N3 N3 C17 C16 176.7(5) 2_656 . . . ?
Rh1 N3 C17 C16 8.8(7) . . . . ?
N2 C16 C17 N3 48.9(8) . . . . ?
N2 C16 C17 C18 -134.3(5) . . . . ?
N3 C17 C18 C17 0.2(2) . . . 2_656 ?
C16 C17 C18 C17 -176.8(7) . . . 2_656 ?
C1 Rh1 C19 C20 87.0(4) . . . . ?
N3 Rh1 C19 C20 -177.5(7) . . . . ?
C23 Rh1 C19 C20 -66.2(4) . . . . ?
C24 Rh1 C19 C20 -99.8(4) . . . . ?
C1 Rh1 C19 C26 -149.8(5) . . . . ?
N3 Rh1 C19 C26 -54.3(12) . . . . ?
C20 Rh1 C19 C26 123.1(7) . . . . ?
C23 Rh1 C19 C26 57.0(6) . . . . ?
C24 Rh1 C19 C26 23.3(5) . . . . ?
C26 C19 C20 C21 5.4(10) . . . . ?
Rh1 C19 C20 C21 105.4(6) . . . . ?
C26 C19 C20 Rh1 -100.0(6) . . . . ?
C1 Rh1 C20 C19 -96.1(4) . . . . ?
N3 Rh1 C20 C19 178.5(4) . . . . ?
C23 Rh1 C20 C19 113.7(4) . . . . ?
C24 Rh1 C20 C19 77.6(4) . . . . ?
C1 Rh1 C20 C21 143.4(5) . . . . ?
N3 Rh1 C20 C21 58.0(8) . . . . ?
C19 Rh1 C20 C21 -120.5(7) . . . . ?
C23 Rh1 C20 C21 -6.8(6) . . . . ?
C24 Rh1 C20 C21 -43.0(6) . . . . ?
C19 C20 C21 C22 -90.3(9) . . . . ?
Rh1 C20 C21 C22 -7.7(9) . . . . ?
C20 C21 C22 C23 26.6(10) . . . . ?
C21 C22 C23 C24 50.4(10) . . . . ?
C21 C22 C23 Rh1 -31.8(9) . . . . ?
C1 Rh1 C23 C24 177.4(4) . . . . ?
N3 Rh1 C23 C24 101.1(4) . . . . ?
C20 Rh1 C23 C24 -100.5(4) . . . . ?
C19 Rh1 C23 C24 -66.3(4) . . . . ?
C1 Rh1 C23 C22 -61.8(8) . . . . ?
N3 Rh1 C23 C22 -138.1(6) . . . . ?
C20 Rh1 C23 C22 20.3(6) . . . . ?
C19 Rh1 C23 C22 54.5(6) . . . . ?
C24 Rh1 C23 C22 120.8(7) . . . . ?
C22 C23 C24 C25 0.2(10) . . . . ?
Rh1 C23 C24 C25 102.4(6) . . . . ?
C22 C23 C24 Rh1 -102.2(6) . . . . ?
C1 Rh1 C24 C23 -169.1(16) . . . . ?
N3 Rh1 C24 C23 -79.5(4) . . . . ?
C20 Rh1 C24 C23 76.9(4) . . . . ?
C19 Rh1 C24 C23 113.6(4) . . . . ?
C1 Rh1 C24 C25 69.1(18) . . . . ?
N3 Rh1 C24 C25 158.6(5) . . . . ?
C20 Rh1 C24 C25 -45.0(5) . . . . ?
C19 Rh1 C24 C25 -8.2(5) . . . . ?
C23 Rh1 C24 C25 -121.9(6) . . . . ?
C23 C24 C25 C26 -89.1(8) . . . . ?
Rh1 C24 C25 C26 -8.8(8) . . . . ?
C20 C19 C26 C25 45.0(10) . . . . ?
Rh1 C19 C26 C25 -35.1(8) . . . . ?
C24 C25 C26 C19 29.4(10) . . . . ?
C28 N4 C27 N5 -0.7(5) . . . . ?
C38 N4 C27 N5 -176.2(4) . . . . ?
C28 N4 C27 Rh2 179.8(4) . . . . ?
C38 N4 C27 Rh2 4.2(8) . . . . ?
C29 N5 C27 N4 1.4(5) . . . . ?
C30 N5 C27 N4 175.1(4) . . . . ?
C29 N5 C27 Rh2 -179.0(3) . . . . ?
C30 N5 C27 Rh2 -5.3(6) . . . . ?
N6 Rh2 C27 N4 142.3(5) . . . . ?
C62 Rh2 C27 N4 -60.8(5) . . . . ?
C63 Rh2 C27 N4 -24.2(6) . . . . ?
C67 Rh2 C27 N4 -135.0(6) . . . . ?
C66 Rh2 C27 N4 58(2) . . . . ?
N6 Rh2 C27 N5 -37.2(4) . . . . ?
C62 Rh2 C27 N5 119.7(4) . . . . ?
C63 Rh2 C27 N5 156.4(4) . . . . ?
C67 Rh2 C27 N5 45.5(6) . . . . ?
C66 Rh2 C27 N5 -121.9(18) . . . . ?
C27 N4 C28 C29 -0.2(6) . . . . ?
C38 N4 C28 C29 175.6(5) . . . . ?
N4 C28 C29 N5 1.1(6) . . . . ?
C27 N5 C29 C28 -1.6(6) . . . . ?
C30 N5 C29 C28 -175.3(5) . . . . ?
C27 N5 C30 C31 56.0(6) . . . . ?
C29 N5 C30 C31 -131.1(5) . . . . ?
N7 N6 C31 C32 0.4(6) . . . . ?
Rh2 N6 C31 C32 163.8(3) . . . . ?
N7 N6 C31 C30 -176.4(4) . . . . ?
Rh2 N6 C31 C30 -12.9(6) . . . . ?
N5 C30 C31 C32 139.8(5) . . . . ?
N5 C30 C31 N6 -44.1(6) . . . . ?
N6 C31 C32 C33 -0.4(6) . . . . ?
C30 C31 C32 C33 176.0(5) . . . . ?
N6 N7 C33 C32 -0.1(6) . . . . ?
Rh3 N7 C33 C32 161.4(3) . . . . ?
N6 N7 C33 C34 -174.9(5) . . . . ?
Rh3 N7 C33 C34 -13.4(7) . . . . ?
C31 C32 C33 N7 0.3(6) . . . . ?
C31 C32 C33 C34 174.6(6) . . . . ?
C37 N8 C34 C33 55.1(7) . . . . ?
C35 N8 C34 C33 -129.4(5) . . . . ?
N7 C33 C34 N8 -42.7(7) . . . . ?
C32 C33 C34 N8 143.6(5) . . . . ?
C37 N8 C35 C36 -0.1(6) . . . . ?
C34 N8 C35 C36 -176.0(5) . . . . ?
N8 C35 C36 N9 -0.1(6) . . . . ?
C37 N9 C36 C35 0.2(6) . . . . ?
C50 N9 C36 C35 175.6(5) . . . . ?
C35 N8 C37 N9 0.2(5) . . . . ?
C34 N8 C37 N9 176.1(4) . . . . ?
C35 N8 C37 Rh3 178.2(3) . . . . ?
C34 N8 C37 Rh3 -5.9(7) . . . . ?
C36 N9 C37 N8 -0.2(5) . . . . ?
C50 N9 C37 N8 -175.3(4) . . . . ?
C36 N9 C37 Rh3 -177.8(4) . . . . ?
C50 N9 C37 Rh3 7.2(8) . . . . ?
C74 Rh3 C37 N8 118.7(5) . . . . ?
N7 Rh3 C37 N8 -35.9(4) . . . . ?
C75 Rh3 C37 N8 155.4(4) . . . . ?
C71 Rh3 C37 N8 40.6(8) . . . . ?
C70 Rh3 C37 N8 -130.7(12) . . . . ?
C74 Rh3 C37 N9 -64.1(6) . . . . ?
N7 Rh3 C37 N9 141.3(5) . . . . ?
C75 Rh3 C37 N9 -27.4(6) . . . . ?
C71 Rh3 C37 N9 -142.1(6) . . . . ?
C70 Rh3 C37 N9 46.5(16) . . . . ?
C27 N4 C38 C43 100.4(6) . . . . ?
C28 N4 C38 C43 -74.8(6) . . . . ?
C27 N4 C38 C39 -83.6(7) . . . . ?
C28 N4 C38 C39 101.3(6) . . . . ?
C43 C38 C39 C40 -4.4(8) . . . . ?
N4 C38 C39 C40 179.8(5) . . . . ?
C43 C38 C39 C44 178.3(5) . . . . ?
N4 C38 C39 C44 2.5(8) . . . . ?
C38 C39 C40 C41 2.4(10) . . . . ?
C44 C39 C40 C41 179.7(6) . . . . ?
C39 C40 C41 C42 0.2(11) . . . . ?
C40 C41 C42 C43 -1.0(11) . . . . ?
C39 C38 C43 C42 3.7(8) . . . . ?
N4 C38 C43 C42 179.6(5) . . . . ?
C39 C38 C43 C47 -178.1(5) . . . . ?
N4 C38 C43 C47 -2.2(7) . . . . ?
C41 C42 C43 C38 -0.9(9) . . . . ?
C41 C42 C43 C47 -179.3(6) . . . . ?
C40 C39 C44 C45 83.4(17) . . . . ?
C38 C39 C44 C45 -99.4(16) . . . . ?
C40 C39 C44 C46 -34.2(15) . . . . ?
C38 C39 C44 C46 143.0(15) . . . . ?
C38 C43 C47 C49 -133.2(6) . . . . ?
C42 C43 C47 C49 45.0(7) . . . . ?
C38 C43 C47 C48 102.8(6) . . . . ?
C42 C43 C47 C48 -79.0(6) . . . . ?
C37 N9 C50 C55 -84.8(6) . . . . ?
C36 N9 C50 C55 100.6(6) . . . . ?
C37 N9 C50 C51 98.3(6) . . . . ?
C36 N9 C50 C51 -76.3(6) . . . . ?
C55 C50 C51 C52 1.6(7) . . . . ?
N9 C50 C51 C52 178.3(4) . . . . ?
C55 C50 C51 C56 -178.3(5) . . . . ?
N9 C50 C51 C56 -1.6(7) . . . . ?
C50 C51 C52 C53 0.6(8) . . . . ?
C56 C51 C52 C53 -179.5(5) . . . . ?
C51 C52 C53 C54 -2.0(9) . . . . ?
C52 C53 C54 C55 1.2(9) . . . . ?
C51 C50 C55 C54 -2.3(8) . . . . ?
N9 C50 C55 C54 -179.0(5) . . . . ?
C51 C50 C55 C59 176.0(5) . . . . ?
N9 C50 C55 C59 -0.7(7) . . . . ?
C53 C54 C55 C50 0.9(8) . . . . ?
C53 C54 C55 C59 -177.4(5) . . . . ?
C50 C51 C56 C58 -134.6(5) . . . . ?
C52 C51 C56 C58 45.5(7) . . . . ?
C50 C51 C56 C57 104.0(6) . . . . ?
C52 C51 C56 C57 -75.8(6) . . . . ?
C50 C55 C59 C60 147.8(5) . . . . ?
C54 C55 C59 C60 -34.0(7) . . . . ?
C50 C55 C59 C61 -84.2(6) . . . . ?
C54 C55 C59 C61 94.0(6) . . . . ?
C27 Rh2 C62 C63 101.6(4) . . . . ?
N6 Rh2 C62 C63 -176.4(4) . . . . ?
C67 Rh2 C62 C63 -106.7(4) . . . . ?
C66 Rh2 C62 C63 -73.1(4) . . . . ?
C27 Rh2 C62 C69 -137.4(5) . . . . ?
N6 Rh2 C62 C69 -55.4(8) . . . . ?
C63 Rh2 C62 C69 121.0(7) . . . . ?
C67 Rh2 C62 C69 14.3(5) . . . . ?
C66 Rh2 C62 C69 47.9(6) . . . . ?
C69 C62 C63 C64 0.4(10) . . . . ?
Rh2 C62 C63 C64 104.1(6) . . . . ?
C69 C62 C63 Rh2 -103.6(6) . . . . ?
C27 Rh2 C63 C62 -81.0(4) . . . . ?
N6 Rh2 C63 C62 174.1(6) . . . . ?
C67 Rh2 C63 C62 71.8(4) . . . . ?
C66 Rh2 C63 C62 105.0(4) . . . . ?
C27 Rh2 C63 C64 157.4(4) . . . . ?
N6 Rh2 C63 C64 52.5(10) . . . . ?
C62 Rh2 C63 C64 -121.6(6) . . . . ?
C67 Rh2 C63 C64 -49.8(5) . . . . ?
C66 Rh2 C63 C64 -16.6(5) . . . . ?
C62 C63 C64 C65 -64.9(9) . . . . ?
Rh2 C63 C64 C65 16.9(8) . . . . ?
C63 C64 C65 C66 -5.2(11) . . . . ?
C64 C65 C66 C67 71.6(10) . . . . ?
C64 C65 C66 Rh2 -8.6(10) . . . . ?
C27 Rh2 C66 C67 169.3(17) . . . . ?
N6 Rh2 C66 C67 84.9(4) . . . . ?
C62 Rh2 C66 C67 -72.4(4) . . . . ?
C63 Rh2 C66 C67 -108.1(4) . . . . ?
C27 Rh2 C66 C65 -69(2) . . . . ?
N6 Rh2 C66 C65 -153.4(6) . . . . ?
C62 Rh2 C66 C65 49.3(6) . . . . ?
C63 Rh2 C66 C65 13.5(6) . . . . ?
C67 Rh2 C66 C65 121.7(7) . . . . ?
C65 C66 C67 C68 1.5(11) . . . . ?
Rh2 C66 C67 C68 102.0(7) . . . . ?
C65 C66 C67 Rh2 -100.6(6) . . . . ?
C27 Rh2 C67 C66 -177.7(4) . . . . ?
N6 Rh2 C67 C66 -95.9(4) . . . . ?
C62 Rh2 C67 C66 105.9(4) . . . . ?
C63 Rh2 C67 C66 70.4(4) . . . . ?
C27 Rh2 C67 C68 61.0(8) . . . . ?
N6 Rh2 C67 C68 142.8(6) . . . . ?
C62 Rh2 C67 C68 -15.4(6) . . . . ?
C63 Rh2 C67 C68 -50.9(6) . . . . ?
C66 Rh2 C67 C68 -121.3(8) . . . . ?
C66 C67 C68 C69 -68.1(11) . . . . ?
Rh2 C67 C68 C69 14.6(11) . . . . ?
C67 C68 C69 C62 -3.0(13) . . . . ?
C63 C62 C69 C68 71.4(10) . . . . ?
Rh2 C62 C69 C68 -10.6(10) . . . . ?
C37 Rh3 C70 C71 173.6(12) . . . . ?
C74 Rh3 C70 C71 -75.8(5) . . . . ?
N7 Rh3 C70 C71 79.6(4) . . . . ?
C75 Rh3 C70 C71 -111.1(5) . . . . ?
C37 Rh3 C70 C77 -67.0(15) . . . . ?
C74 Rh3 C70 C77 43.7(6) . . . . ?
N7 Rh3 C70 C77 -161.0(6) . . . . ?
C75 Rh3 C70 C77 8.4(6) . . . . ?
C71 Rh3 C70 C77 119.4(8) . . . . ?
C77 C70 C71 C72 -2.9(12) . . . . ?
Rh3 C70 C71 C72 99.2(8) . . . . ?
C77 C70 C71 Rh3 -102.1(7) . . . . ?
C37 Rh3 C71 C70 -177.4(5) . . . . ?
C74 Rh3 C71 C70 102.4(5) . . . . ?
N7 Rh3 C71 C70 -101.6(4) . . . . ?
C75 Rh3 C71 C70 67.1(5) . . . . ?
C37 Rh3 C71 C72 57.6(9) . . . . ?
C74 Rh3 C71 C72 -22.6(6) . . . . ?
N7 Rh3 C71 C72 133.4(6) . . . . ?
C75 Rh3 C71 C72 -57.9(6) . . . . ?
C70 Rh3 C71 C72 -125.0(8) . . . . ?
C70 C71 C72 C73 -54.5(13) . . . . ?
Rh3 C71 C72 C73 27.7(11) . . . . ?
C71 C72 C73 C74 -17.0(15) . . . . ?
C72 C73 C74 C75 78.0(13) . . . . ?
C72 C73 C74 Rh3 -3.5(12) . . . . ?
C37 Rh3 C74 C75 98.9(4) . . . . ?
N7 Rh3 C74 C75 -176.8(4) . . . . ?
C71 Rh3 C74 C75 -106.2(4) . . . . ?
C70 Rh3 C74 C75 -71.8(4) . . . . ?
C37 Rh3 C74 C73 -140.3(6) . . . . ?
N7 Rh3 C74 C73 -56.1(8) . . . . ?
C75 Rh3 C74 C73 120.8(7) . . . . ?
C71 Rh3 C74 C73 14.5(6) . . . . ?
C70 Rh3 C74 C73 48.9(6) . . . . ?
C73 C74 C75 C76 0.4(11) . . . . ?
Rh3 C74 C75 C76 100.9(7) . . . . ?
C73 C74 C75 Rh3 -100.6(7) . . . . ?
C37 Rh3 C75 C74 -84.2(4) . . . . ?
N7 Rh3 C75 C74 173.1(8) . . . . ?
C71 Rh3 C75 C74 72.7(4) . . . . ?
C70 Rh3 C75 C74 105.4(4) . . . . ?
C37 Rh3 C75 C76 152.5(5) . . . . ?
C74 Rh3 C75 C76 -123.2(7) . . . . ?
N7 Rh3 C75 C76 49.9(12) . . . . ?
C71 Rh3 C75 C76 -50.6(5) . . . . ?
C70 Rh3 C75 C76 -17.8(5) . . . . ?
C74 C75 C76 C77 -53.7(11) . . . . ?
Rh3 C75 C76 C77 25.9(9) . . . . ?
C75 C76 C77 C70 -20.1(12) . . . . ?
C71 C70 C77 C76 84.2(11) . . . . ?
Rh3 C70 C77 C76 4.2(11) . . . . ?
