#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:21:53 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179478 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/75/4337565.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_4337565
loop_
_publ_author_name
'Chartrand, Daniel'
'Hanan, Garry S.'
_publ_section_title
;
 Rhodium amidinate dimers as structural and functional hubs for
 multimetallic assemblies.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              624
_journal_page_last               636
_journal_paper_doi               10.1021/ic4024585
_journal_volume                  53
_journal_year                    2014
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety
;
C126 H91 N21 O12 Re4 Rh2 4+,4(F6 P1 1-),2(C2 H3 N1)
;
_chemical_formula_sum            'C130 H97 F24 N23 O12 P4 Re4 Rh2'
_chemical_formula_weight         3703.81
_chemical_name_systematic
; 
 tetra(N"-(2,2'-bipyridinetricarbony-rhenium(I))-N,N'-diphenyl-
 isonicotamidate)(acetonitrile)dirhodium(II) tetrakis(hexafluorophospate), 
 acetonitrile disolvate 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.3501(10)
_cell_length_b                   26.4964(15)
_cell_length_c                   26.9640(19)
_cell_measurement_reflns_used    83087
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      133.325
_cell_measurement_theta_min      5.479
_cell_volume                     14539.1(15)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'UdMX (local program)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.5
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'Bruker Microstar'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Helios optics'
_diffrn_radiation_source         'Micro source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.065
_diffrn_reflns_av_sigmaI/netI    0.0421
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            198164
_diffrn_reflns_theta_full        67.77
_diffrn_reflns_theta_max         67.77
_diffrn_reflns_theta_min         2.34
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.361
_exptl_absorpt_correction_T_max  0.327
_exptl_absorpt_correction_T_min  0.143
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick,2004)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7200
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.430
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.192
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.38(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1593
_refine_ls_number_reflns         23443
_refine_ls_number_restraints     1998
_refine_ls_restrained_S_all      1.260
_refine_ls_R_factor_all          0.1374
_refine_ls_R_factor_gt           0.1087
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1234P)²+186.1247P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2779
_refine_ls_wR_factor_ref         0.3030
_reflns_number_gt                18001
_reflns_number_total             23443
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic4024585_si_003.cif
_cod_data_source_block           PIWSUK
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               4337565
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'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 0.44576(8) 0.82269(6) 0.27577(8) 0.0735(5) Uani 1 1 d . . .
Rh2 Rh 0.45476(8) 0.75190(7) 0.21981(8) 0.0757(5) Uani 1 1 d . . .
Re1 Re 0.08175(5) 0.64675(4) 0.38413(5) 0.0853(4) Uani 1 1 d DU . .
Re2 Re 0.74936(6) 0.63570(5) 0.45478(6) 0.0916(4) Uani 1 1 d D . .
Re3 Re 0.15398(9) 0.91871(7) 0.02742(7) 0.1243(7) Uani 1 1 d DU . .
Re4A Re 0.8250(4) 0.9293(3) 0.1356(5) 0.109(2) Uani 0.274(7) 1 d PDU A 2
Re4B Re 0.81670(12) 0.92621(12) 0.1012(2) 0.1079(12) Uani 0.726(7) 1 d PDU A 1
P1 P 0.8768(15) 0.7048(11) 0.1653(11) 0.162(10) Uiso 0.5 1 d PD B 1
P2 P 0.4868(17) 0.5266(13) 0.4503(13) 0.73(7) Uiso 1 1 d D . .
P3 P 0.0619(10) 0.9403(7) 0.2352(7) 0.197(6) Uiso 1 1 d D . .
P4 P 0.7827(14) 0.8520(10) 0.4524(10) 0.296(13) Uiso 1 1 d D . .
P5 P 0.075(3) 0.609(2) 0.171(2) 0.35(4) Uiso 0.5 1 d PG C 2
F1 F 0.842(4) 0.704(4) 0.2186(19) 0.406(9) Uiso 0.5 1 d PD B 1
F2 F 0.926(4) 0.661(3) 0.184(3) 0.406(9) Uiso 0.5 1 d PD B 1
F3 F 0.927(4) 0.747(3) 0.185(3) 0.406(9) Uiso 0.5 1 d PD B 1
F4 F 0.827(4) 0.662(3) 0.146(3) 0.406(9) Uiso 0.5 1 d PD B 1
F5 F 0.828(4) 0.748(3) 0.147(3) 0.406(9) Uiso 0.5 1 d PD B 1
F6 F 0.913(4) 0.704(4) 0.1123(19) 0.406(9) Uiso 0.5 1 d PD B 1
F7 F 0.538(3) 0.4825(19) 0.464(2) 0.406(9) Uiso 1 1 d D . .
F8 F 0.515(3) 0.562(2) 0.4938(18) 0.406(9) Uiso 1 1 d D . .
F9 F 0.542(2) 0.550(2) 0.415(2) 0.406(9) Uiso 1 1 d D . .
F10 F 0.432(2) 0.504(2) 0.486(2) 0.406(9) Uiso 1 1 d D . .
F11 F 0.459(3) 0.493(2) 0.4058(18) 0.406(9) Uiso 1 1 d D . .
F12 F 0.439(3) 0.5742(18) 0.439(2) 0.406(9) Uiso 1 1 d D . .
F13 F 0.079(3) 0.9651(19) 0.1826(13) 0.406(9) Uiso 1 1 d D . .
F14 F 0.094(3) 0.8877(14) 0.218(2) 0.406(9) Uiso 1 1 d D . .
F15 F -0.0056(19) 0.919(2) 0.2123(19) 0.406(9) Uiso 1 1 d D . .
F16 F 0.1302(18) 0.961(2) 0.257(2) 0.406(9) Uiso 1 1 d D . .
F17 F 0.024(3) 0.9905(15) 0.253(2) 0.406(9) Uiso 1 1 d D . .
F18 F 0.048(3) 0.9139(19) 0.2881(13) 0.406(9) Uiso 1 1 d D . .
F19 F 0.718(2) 0.826(2) 0.474(2) 0.406(9) Uiso 1 1 d D . .
F20 F 0.828(3) 0.8073(18) 0.475(2) 0.406(9) Uiso 1 1 d D . .
F21 F 0.790(3) 0.8795(19) 0.5056(15) 0.406(9) Uiso 1 1 d D . .
F22 F 0.775(3) 0.8223(19) 0.4008(15) 0.406(9) Uiso 1 1 d D . .
F23 F 0.743(3) 0.9000(16) 0.432(2) 0.406(9) Uiso 1 1 d D . .
F24 F 0.850(2) 0.875(2) 0.432(2) 0.406(9) Uiso 1 1 d D . .
F25 F 0.109(5) 0.633(4) 0.123(3) 0.406(9) Uiso 0.5 1 d PG C 2
F26 F 0.032(5) 0.573(3) 0.136(3) 0.406(9) Uiso 0.5 1 d PG C 2
F27 F 0.131(4) 0.566(3) 0.174(4) 0.406(9) Uiso 0.5 1 d PG C 2
F28 F 0.019(4) 0.651(3) 0.169(4) 0.406(9) Uiso 0.5 1 d PG C 2
F29 F 0.118(5) 0.644(3) 0.206(3) 0.406(9) Uiso 0.5 1 d PG C 2
F30 F 0.040(5) 0.584(4) 0.219(3) 0.406(9) Uiso 0.5 1 d PG C 2
O1 O -0.0547(5) 0.6150(6) 0.4200(7) 0.089(5) Uani 1 1 d DU . .
O2 O 0.0786(10) 0.5523(7) 0.3195(9) 0.128(7) Uani 1 1 d DU . .
O3 O 0.1367(10) 0.5808(9) 0.4671(7) 0.126(7) Uani 1 1 d DU . .
O4 O 0.8596(8) 0.5809(7) 0.5098(7) 0.105(6) Uani 1 1 d DU . .
O5 O 0.7487(14) 0.7200(8) 0.5319(9) 0.147(9) Uani 1 1 d DU . .
O6 O 0.6490(9) 0.5832(8) 0.5214(7) 0.113(6) Uani 1 1 d DU . .
O7 O 0.0486(15) 0.9427(13) -0.0500(12) 0.196(13) Uani 1 1 d DU . .
O8 O 0.1093(15) 1.0083(8) 0.0902(10) 0.160(10) Uani 1 1 d DU . .
O9 O 0.2452(14) 0.9943(11) -0.0232(10) 0.166(10) Uani 1 1 d DU . .
O10 O 0.952(3) 0.980(4) 0.103(4) 0.161(9) Uiso 0.274(7) 1 d PDU A 2
O11 O 0.858(6) 0.841(3) 0.067(3) 0.163(9) Uiso 0.274(7) 1 d PDU A 2
O12 O 0.751(5) 0.987(4) 0.055(3) 0.162(9) Uiso 0.274(7) 1 d PDU A 2
O20 O 0.9482(13) 0.9751(16) 0.0750(16) 0.160(8) Uiso 0.726(7) 1 d PDU A 1
O21 O 0.865(2) 0.8355(12) 0.0412(15) 0.165(8) Uiso 0.726(7) 1 d PDU A 1
O22 O 0.758(2) 0.9591(17) 0.0022(8) 0.170(8) Uiso 0.726(7) 1 d PDU A 1
N1 N 0.438(3) 0.8888(12) 0.3229(16) 0.177(12) Uani 1 1 d U . .
N2 N 0.3611(7) 0.7898(6) 0.3040(7) 0.062(4) Uani 1 1 d U . .
N3 N 0.3867(8) 0.7144(6) 0.2629(8) 0.071(4) Uani 1 1 d U . .
N4 N 0.5022(10) 0.7821(8) 0.3275(10) 0.085(5) Uani 1 1 d U . .
N5 N 0.5301(10) 0.7247(8) 0.2637(10) 0.085(5) Uani 1 1 d U . .
N6 N 0.3902(8) 0.8577(7) 0.2215(8) 0.071(4) Uani 1 1 d U . .
N7 N 0.3784(9) 0.7830(7) 0.1801(8) 0.072(4) Uani 1 1 d U . .
N8 N 0.5331(9) 0.8469(8) 0.2397(10) 0.091(6) Uani 1 1 d U A .
N9 N 0.5210(11) 0.7924(9) 0.1788(11) 0.099(6) Uani 1 1 d U A .
N10 N 0.1797(8) 0.6729(8) 0.3560(9) 0.074(4) Uani 1 1 d U . .
N11 N 0.6724(9) 0.6707(8) 0.4088(10) 0.091(5) Uani 1 1 d DU . .
N12 N 0.2272(11) 0.8960(9) 0.0822(10) 0.092(6) Uani 1 1 d U . .
N13A N 0.7275(19) 0.901(2) 0.1584(11) 0.094(9) Uiso 0.274(7) 1 d PDU A 2
N13B N 0.7217(13) 0.8935(10) 0.1289(7) 0.093(7) Uiso 0.726(7) 1 d PDU A 1
N14 N 0.0784(10) 0.7188(8) 0.4259(10) 0.123(8) Uani 1 1 d DU . .
N15 N 0.0505(11) 0.7007(10) 0.3309(10) 0.136(9) Uani 1 1 d DU . .
N16 N 0.7533(11) 0.5803(9) 0.3936(9) 0.119(7) Uani 1 1 d DU . .
N17 N 0.8119(10) 0.6696(10) 0.4028(9) 0.127(8) Uani 1 1 d DU . .
N18 N 0.1880(16) 0.8518(11) -0.0125(11) 0.190(13) Uani 1 1 d DU . .
N19 N 0.1005(11) 0.8607(10) 0.0618(9) 0.129(8) Uani 1 1 d DU . .
N20 N 0.850(4) 0.8916(17) 0.2038(12) 0.137(7) Uiso 0.274(7) 1 d PDU A 2
N21 N 0.802(5) 0.9815(19) 0.1942(14) 0.136(7) Uiso 0.274(7) 1 d PDU A 2
N30 N 0.8448(18) 0.9093(11) 0.1769(8) 0.128(6) Uiso 0.726(7) 1 d PDU A 1
N31 N 0.7859(18) 0.9894(9) 0.1469(9) 0.136(7) Uiso 0.726(7) 1 d PDU A 1
N500 N 0.156(4) 0.625(4) -0.006(4) 0.224(15) Uiso 0.5 1 d PDU D 2
N510 N -0.026(3) 0.412(2) 0.146(2) 0.224(15) Uiso 0.5 1 d PRDU . 1
N520 N 0.644(4) 1.049(4) 0.425(4) 0.224(15) Uiso 0.5 1 d PDU E 1
N530 N 0.755(4) 0.531(2) 0.145(2) 0.224(15) Uiso 0.5 1 d PRDU E 2
C1 C 0.434(3) 0.9231(15) 0.3460(19) 0.172(12) Uani 1 1 d U . .
C2 C 0.425(3) 0.9653(16) 0.376(2) 0.191(16) Uani 1 1 d U . .
H2A H 0.4424 0.9953 0.3597 0.286 Uiso 1 1 calc R . .
H2B H 0.4468 0.9603 0.408 0.286 Uiso 1 1 calc R . .
H2C H 0.3773 0.9699 0.3818 0.286 Uiso 1 1 calc R . .
C3 C 0.3501(11) 0.7411(8) 0.2932(10) 0.071(5) Uani 1 1 d U . .
C4 C 0.2915(10) 0.7153(8) 0.3189(9) 0.062(4) Uani 1 1 d U . .
C5 C 0.2483(10) 0.6892(8) 0.2876(9) 0.066(4) Uani 1 1 d U . .
H5 H 0.2555 0.6859 0.253 0.079 Uiso 1 1 calc R . .
C6 C 0.1937(12) 0.6684(10) 0.3115(12) 0.083(5) Uani 1 1 d U . .
H6 H 0.1645 0.6489 0.2917 0.099 Uiso 1 1 calc R . .
C7 C 0.2218(11) 0.6955(9) 0.3883(11) 0.076(5) Uani 1 1 d U . .
H7 H 0.2129 0.6971 0.4229 0.092 Uiso 1 1 calc R . .
C8 C 0.2792(10) 0.7165(8) 0.3678(9) 0.066(5) Uani 1 1 d U . .
H8 H 0.3104 0.7319 0.3892 0.079 Uiso 1 1 calc R . .
C9 C 0.3092(9) 0.8213(7) 0.3211(8) 0.074(4) Uani 1 1 d DU . .
C10 C 0.3187(10) 0.8482(7) 0.3640(8) 0.088(5) Uani 1 1 d DU . .
H10 H 0.3587 0.8449 0.3818 0.105 Uiso 1 1 calc R . .
C11 C 0.2687(11) 0.8809(8) 0.3815(9) 0.096(6) Uani 1 1 d DU . .
H11 H 0.2742 0.8988 0.4118 0.115 Uiso 1 1 calc R . .
C12 C 0.2135(11) 0.8862(9) 0.3546(10) 0.092(6) Uani 1 1 d DU . .
H12 H 0.1816 0.9103 0.3647 0.111 Uiso 1 1 calc R . .
C13 C 0.2021(10) 0.8583(9) 0.3137(9) 0.085(5) Uani 1 1 d DU . .
H13 H 0.1611 0.8609 0.297 0.102 Uiso 1 1 calc R . .
C14 C 0.2499(10) 0.8258(8) 0.2959(8) 0.078(5) Uani 1 1 d DU . .
H14 H 0.2423 0.8067 0.2666 0.094 Uiso 1 1 calc R . .
C15 C 0.3902(10) 0.6626(7) 0.2641(8) 0.078(5) Uani 1 1 d DU . .
C16 C 0.4107(9) 0.6361(7) 0.3049(8) 0.076(5) Uani 1 1 d DU . .
H16 H 0.4169 0.6534 0.3354 0.091 Uiso 1 1 calc R . .
C17 C 0.4229(11) 0.5838(7) 0.3026(9) 0.093(6) Uani 1 1 d DU . .
H17 H 0.4383 0.5661 0.3309 0.112 Uiso 1 1 calc R . .
C18 C 0.4124(14) 0.5594(8) 0.2594(10) 0.101(6) Uani 1 1 d DU . .
H18 H 0.419 0.5239 0.2576 0.121 Uiso 1 1 calc R . .
C19 C 0.3924(15) 0.5849(8) 0.2185(10) 0.110(7) Uani 1 1 d DU . .
H19 H 0.3861 0.5672 0.1883 0.131 Uiso 1 1 calc R . .
C20 C 0.3810(14) 0.6364(8) 0.2203(9) 0.103(6) Uani 1 1 d DU . .
H20 H 0.3668 0.6538 0.1914 0.124 Uiso 1 1 calc R . .
C21 C 0.5346(13) 0.7414(10) 0.3078(13) 0.088(6) Uani 1 1 d U . .
C22 C 0.5794(11) 0.7179(9) 0.3479(12) 0.086(5) Uani 1 1 d U . .
C23 C 0.6316(12) 0.7456(11) 0.3665(13) 0.095(6) Uani 1 1 d DU . .
H23 H 0.6379 0.7797 0.3569 0.114 Uiso 1 1 calc R . .
C24 C 0.6747(12) 0.7222(9) 0.3996(12) 0.090(6) Uani 1 1 d DU . .
H24 H 0.7066 0.7421 0.4163 0.109 Uiso 1 1 calc R . .
C25 C 0.6234(11) 0.6447(10) 0.3892(12) 0.090(6) Uani 1 1 d DU . .
H25 H 0.619 0.6102 0.398 0.108 Uiso 1 1 calc R . .
C26 C 0.5775(11) 0.6657(9) 0.3558(11) 0.085(5) Uani 1 1 d DU . .
H26 H 0.5462 0.645 0.3393 0.102 Uiso 1 1 calc R . .
C27 C 0.4878(10) 0.7879(8) 0.3780(9) 0.089(5) Uani 1 1 d DU . .
C28 C 0.4520(10) 0.7529(8) 0.4040(9) 0.091(6) Uani 1 1 d DU . .
H28 H 0.4399 0.7219 0.3889 0.109 Uiso 1 1 calc R . .
C29 C 0.4333(10) 0.7633(8) 0.4537(9) 0.089(6) Uani 1 1 d DU . .
H29 H 0.4092 0.7392 0.4724 0.107 Uiso 1 1 calc R . .
C30 C 0.4501(12) 0.8078(9) 0.4740(9) 0.092(6) Uani 1 1 d DU . .
H30 H 0.4363 0.8153 0.5068 0.111 Uiso 1 1 calc R . .
C31 C 0.4861(12) 0.8423(8) 0.4489(9) 0.090(6) Uani 1 1 d DU . .
H31 H 0.4977 0.8733 0.4643 0.108 Uiso 1 1 calc R . .
C32 C 0.5062(11) 0.8326(8) 0.4007(9) 0.089(6) Uani 1 1 d DU . .
H32 H 0.5324 0.8564 0.3834 0.107 Uiso 1 1 calc R . .
C33 C 0.5789(10) 0.6938(8) 0.2415(10) 0.096(5) Uani 1 1 d DU . .
C34 C 0.5602(11) 0.6504(8) 0.2177(9) 0.105(6) Uani 1 1 d DU . .
H34 H 0.5153 0.6405 0.2167 0.126 Uiso 1 1 calc R . .
C35 C 0.6095(12) 0.6203(9) 0.1946(11) 0.119(7) Uani 1 1 d DU . .
H35 H 0.5981 0.5895 0.1789 0.143 Uiso 1 1 calc R . .
C36 C 0.6724(11) 0.6362(11) 0.1954(12) 0.124(7) Uani 1 1 d DU . .
H36 H 0.7044 0.617 0.1781 0.149 Uiso 1 1 calc R . .
C37 C 0.6920(11) 0.6781(11) 0.2196(12) 0.120(7) Uani 1 1 d DU . .
H37 H 0.7371 0.6873 0.2205 0.144 Uiso 1 1 calc R . .
C38 C 0.6452(11) 0.7071(9) 0.2429(11) 0.109(7) Uani 1 1 d DU . .
H38 H 0.6582 0.7367 0.2602 0.131 Uiso 1 1 calc R . .
C39 C 0.3655(11) 0.8306(9) 0.1863(10) 0.073(5) Uani 1 1 d U . .
C40 C 0.3177(13) 0.8540(10) 0.1499(11) 0.083(5) Uani 1 1 d U . .
C41 C 0.2570(13) 0.8729(9) 0.1631(12) 0.087(6) Uani 1 1 d U . .
H41 H 0.2442 0.8728 0.1969 0.105 Uiso 1 1 calc R . .
C42 C 0.2162(13) 0.8912(10) 0.1290(12) 0.084(6) Uani 1 1 d U . .
H42 H 0.1743 0.9019 0.1404 0.1 Uiso 1 1 calc R . .
C43 C 0.2855(15) 0.8799(12) 0.0673(14) 0.100(7) Uani 1 1 d U . .
H43 H 0.2961 0.8817 0.033 0.121 Uiso 1 1 calc R . .
C44 C 0.3339(13) 0.8594(10) 0.1016(11) 0.090(6) Uani 1 1 d U . .
H44 H 0.3763 0.8499 0.0902 0.108 Uiso 1 1 calc R . .
C45 C 0.3925(9) 0.9120(7) 0.2197(9) 0.080(5) Uani 1 1 d DU . .
C46 C 0.4307(9) 0.9360(8) 0.1848(9) 0.095(6) Uani 1 1 d DU . .
H46 H 0.4529 0.917 0.1601 0.114 Uiso 1 1 calc R . .
C47 C 0.4368(11) 0.9891(8) 0.1859(10) 0.105(6) Uani 1 1 d DU . .
H47 H 0.4628 1.006 0.1618 0.126 Uiso 1 1 calc R . .
C48 C 0.4055(12) 1.0155(8) 0.2213(11) 0.106(6) Uani 1 1 d DU . .
H48 H 0.4116 1.051 0.223 0.127 Uiso 1 1 calc R . .
C49 C 0.3656(13) 0.9929(8) 0.2548(11) 0.108(6) Uani 1 1 d DU . .
H49 H 0.3421 1.0126 0.2783 0.129 Uiso 1 1 calc R . .
C50 C 0.3593(11) 0.9409(7) 0.2546(10) 0.094(6) Uani 1 1 d DU . .
H50 H 0.3321 0.9248 0.2785 0.113 Uiso 1 1 calc R . .
C51 C 0.3401(11) 0.7532(8) 0.1501(9) 0.090(5) Uani 1 1 d DU . .
C52 C 0.3648(12) 0.7269(9) 0.1106(10) 0.117(7) Uani 1 1 d DU . .
H52 H 0.4091 0.7324 0.1008 0.14 Uiso 1 1 calc R . .
C53 C 0.3263(14) 0.6919(11) 0.0840(11) 0.127(7) Uani 1 1 d DU . .
H53 H 0.3448 0.6738 0.057 0.153 Uiso 1 1 calc R . .
C54 C 0.2630(14) 0.6841(11) 0.0972(11) 0.123(7) Uani 1 1 d DU . .
H54 H 0.2365 0.6613 0.0787 0.148 Uiso 1 1 calc R . .
C55 C 0.2374(12) 0.7087(10) 0.1363(11) 0.109(7) Uani 1 1 d DU . .
H55 H 0.1934 0.7023 0.1462 0.13 Uiso 1 1 calc R . .
C56 C 0.2749(11) 0.7432(9) 0.1624(9) 0.092(6) Uani 1 1 d DU . .
H56 H 0.2556 0.7606 0.1895 0.111 Uiso 1 1 calc R . .
C57 C 0.5482(13) 0.8288(10) 0.1950(11) 0.097(6) Uani 1 1 d DU . .
C58A C 0.609(2) 0.859(2) 0.1842(12) 0.073(7) Uiso 0.274(7) 1 d PDU A 2
C58B C 0.6087(13) 0.8500(10) 0.1686(8) 0.073(6) Uiso 0.726(7) 1 d PDU A 1
C59A C 0.663(3) 0.8287(18) 0.172(2) 0.080(7) Uiso 0.274(7) 1 d PDU A 2
C59B C 0.6650(15) 0.8211(11) 0.1569(10) 0.080(6) Uiso 0.726(7) 1 d PDU A 1
H59A H 0.6597 0.7929 0.1724 0.095 Uiso 0.274(7) 1 calc PR A 2
H59B H 0.6659 0.7858 0.163 0.096 Uiso 0.726(7) 1 calc PR A 1
C60A C 0.719(2) 0.851(2) 0.160(2) 0.088(7) Uiso 0.274(7) 1 d PDU A 2
C60B C 0.7160(15) 0.8439(11) 0.1374(11) 0.088(7) Uiso 0.726(7) 1 d PDU A 1
H60A H 0.7555 0.8301 0.153 0.105 Uiso 0.274(7) 1 calc PR A 2
H60B H 0.7523 0.8234 0.1285 0.106 Uiso 0.726(7) 1 calc PR A 1
C61A C 0.676(3) 0.929(2) 0.170(3) 0.095(8) Uiso 0.274(7) 1 d PDU A 2
C61B C 0.6666(15) 0.9204(12) 0.1381(12) 0.097(8) Uiso 0.726(7) 1 d PDU A 1
H61A H 0.6809 0.965 0.1686 0.114 Uiso 0.274(7) 1 calc PR A 2
H61B H 0.6669 0.9552 0.1297 0.116 Uiso 0.726(7) 1 calc PR A 1
C62A C 0.618(2) 0.912(2) 0.183(3) 0.082(8) Uiso 0.274(7) 1 d PDU A 2
C62B C 0.6129(14) 0.9020(12) 0.1576(12) 0.084(7) Uiso 0.726(7) 1 d PDU A 1
H62A H 0.5831 0.934 0.1922 0.098 Uiso 0.274(7) 1 calc PR A 2
H62B H 0.5768 0.9236 0.1645 0.1 Uiso 0.726(7) 1 calc PR A 1
C63 C 0.5751(15) 0.8785(9) 0.2725(13) 0.154(10) Uani 1 1 d DU . .
C64 C 0.5562(15) 0.9248(10) 0.2903(13) 0.166(10) Uani 1 1 d DU A .
H64 H 0.5148 0.9389 0.2816 0.2 Uiso 1 1 calc R . .
C65 C 0.6000(18) 0.9512(10) 0.3220(13) 0.173(11) Uani 1 1 d DU . .
H65 H 0.5879 0.9827 0.3361 0.208 Uiso 1 1 calc R A .
C66 C 0.6592(17) 0.9307(12) 0.3317(15) 0.171(11) Uani 1 1 d DU A .
H66 H 0.6895 0.9498 0.3508 0.206 Uiso 1 1 calc R . .
C67 C 0.6781(15) 0.8846(12) 0.3160(15) 0.169(10) Uani 1 1 d DU . .
H67 H 0.7198 0.8711 0.3247 0.203 Uiso 1 1 calc R A .
C68 C 0.6348(15) 0.8578(10) 0.2869(14) 0.157(10) Uani 1 1 d DU A .
H68 H 0.646 0.8246 0.2765 0.188 Uiso 1 1 calc R . .
C69 C 0.5257(14) 0.7807(11) 0.1264(10) 0.123(7) Uani 1 1 d DU . .
C70 C 0.5380(14) 0.7332(11) 0.1087(12) 0.132(8) Uani 1 1 d DU A .
H70 H 0.5521 0.7076 0.131 0.158 Uiso 1 1 calc R . .
C71 C 0.5299(16) 0.7215(12) 0.0581(12) 0.144(8) Uani 1 1 d DU . .
H71 H 0.5392 0.6887 0.0459 0.173 Uiso 1 1 calc R A .
C72 C 0.5086(18) 0.7582(13) 0.0274(11) 0.146(9) Uani 1 1 d DU A .
H72 H 0.4997 0.7502 -0.0063 0.175 Uiso 1 1 calc R . .
C73 C 0.4994(17) 0.8060(12) 0.0432(12) 0.139(8) Uani 1 1 d DU . .
H73 H 0.4874 0.8315 0.0201 0.167 Uiso 1 1 calc R A .
C74 C 0.5074(16) 0.8183(11) 0.0928(12) 0.129(8) Uani 1 1 d DU A .
H74 H 0.5005 0.8519 0.1039 0.155 Uiso 1 1 calc R . .
C75 C -0.0034(7) 0.6273(10) 0.4068(12) 0.092(6) Uani 1 1 d DU . .
C76 C 0.0830(15) 0.5880(10) 0.3433(14) 0.126(8) Uani 1 1 d DU . .
C77 C 0.1206(13) 0.6053(12) 0.4336(10) 0.116(8) Uani 1 1 d DU . .
C78 C 0.0865(11) 0.7254(11) 0.4722(12) 0.132(8) Uani 1 1 d DU . .
H78 H 0.0985 0.6971 0.492 0.158 Uiso 1 1 calc R . .
C79 C 0.0789(13) 0.7697(12) 0.4943(14) 0.133(9) Uani 1 1 d DU . .
H79 H 0.0865 0.7735 0.5288 0.16 Uiso 1 1 calc R . .
C80 C 0.0600(15) 0.8097(13) 0.4657(15) 0.137(9) Uani 1 1 d DU . .
H80 H 0.0494 0.8405 0.4819 0.165 Uiso 1 1 calc R . .
C81 C 0.0558(16) 0.8080(12) 0.4184(15) 0.138(9) Uani 1 1 d DU . .
H81 H 0.0484 0.8373 0.399 0.166 Uiso 1 1 calc R . .
C82 C 0.0628(14) 0.7592(11) 0.3967(13) 0.128(8) Uani 1 1 d DU . .
C83 C 0.0518(12) 0.7506(13) 0.3437(12) 0.141(9) Uani 1 1 d DU . .
C84 C 0.0437(14) 0.7889(13) 0.3113(14) 0.152(10) Uani 1 1 d DU . .
H84 H 0.0441 0.8229 0.3226 0.182 Uiso 1 1 calc R . .
C85 C 0.0351(17) 0.7787(15) 0.2630(16) 0.162(11) Uani 1 1 d DU . .
H85 H 0.0316 0.8062 0.2405 0.194 Uiso 1 1 calc R . .
C86 C 0.031(2) 0.7278(17) 0.2435(14) 0.181(13) Uani 1 1 d DU . .
H86 H 0.0243 0.7199 0.2095 0.218 Uiso 1 1 calc R . .
C87 C 0.0384(15) 0.6903(13) 0.2831(12) 0.142(10) Uani 1 1 d DU . .
H87 H 0.0344 0.6558 0.2741 0.17 Uiso 1 1 calc R . .
C88 C 0.8171(11) 0.6031(9) 0.4916(10) 0.092(6) Uani 1 1 d DU . .
C89 C 0.745(2) 0.6870(12) 0.5041(12) 0.146(10) Uani 1 1 d DU . .
C90 C 0.6872(12) 0.6013(11) 0.4952(11) 0.104(7) Uani 1 1 d DU . .
C91 C 0.7241(12) 0.5382(10) 0.3898(12) 0.121(8) Uani 1 1 d DU . .
H91 H 0.6966 0.5285 0.4166 0.145 Uiso 1 1 calc R . .
C92 C 0.7282(15) 0.5063(12) 0.3517(14) 0.135(8) Uani 1 1 d DU . .
H92 H 0.7047 0.4754 0.3505 0.162 Uiso 1 1 calc R . .
C93 C 0.7688(17) 0.5216(14) 0.3148(15) 0.140(9) Uani 1 1 d DU . .
H93 H 0.7748 0.4994 0.2875 0.168 Uiso 1 1 calc R . .
C94 C 0.7994(15) 0.5634(13) 0.3139(13) 0.135(8) Uani 1 1 d DU . .
H94 H 0.8265 0.5724 0.2866 0.162 Uiso 1 1 calc R . .
C95 C 0.7917(15) 0.5964(12) 0.3552(13) 0.130(8) Uani 1 1 d DU . .
C96 C 0.8204(12) 0.6470(12) 0.3577(13) 0.137(9) Uani 1 1 d DU . .
C97 C 0.8546(15) 0.6674(14) 0.3197(14) 0.155(10) Uani 1 1 d DU . .
H97 H 0.8587 0.6495 0.2893 0.186 Uiso 1 1 calc R . .
C98 C 0.883(2) 0.7129(17) 0.3249(17) 0.163(12) Uani 1 1 d DU . .
H98 H 0.9053 0.7272 0.2975 0.196 Uiso 1 1 calc R . .
C99 C 0.8798(14) 0.7411(16) 0.3712(19) 0.20(3) Uani 1 1 d D . .
H99 H 0.901 0.7726 0.3765 0.242 Uiso 1 1 calc R . .
C100 C 0.8399(14) 0.7150(12) 0.4089(13) 0.130(9) Uani 1 1 d DU . .
H100 H 0.8336 0.7314 0.4398 0.156 Uiso 1 1 calc R . .
C101 C 0.086(2) 0.936(2) -0.0186(18) 0.195(13) Uani 1 1 d DU . .
C102 C 0.130(2) 0.9759(13) 0.0658(16) 0.158(11) Uani 1 1 d DU . .
C103 C 0.212(2) 0.9637(16) -0.0062(16) 0.165(11) Uani 1 1 d DU . .
C104 C 0.2253(17) 0.8504(17) -0.0499(13) 0.196(13) Uani 1 1 d DU . .
H104 H 0.2374 0.8818 -0.0642 0.235 Uiso 1 1 calc R . .
C105 C 0.249(2) 0.8089(19) -0.0710(15) 0.202(13) Uani 1 1 d DU . .
H105 H 0.2751 0.8093 -0.1004 0.242 Uiso 1 1 calc R . .
C106 C 0.233(2) 0.7659(19) -0.0466(17) 0.201(13) Uani 1 1 d DU . .
H106 H 0.2537 0.7356 -0.0572 0.242 Uiso 1 1 calc R . .
C107 C 0.193(2) 0.7627(15) -0.0104(17) 0.198(13) Uani 1 1 d DU . .
H107 H 0.1801 0.7309 0.0027 0.237 Uiso 1 1 calc R . .
C108 C 0.167(2) 0.8085(15) 0.0096(15) 0.192(13) Uani 1 1 d DU . .
C109 C 0.1240(13) 0.8126(12) 0.0532(11) 0.132(9) Uani 1 1 d DU . .
C110 C 0.1007(17) 0.7718(13) 0.0776(13) 0.145(10) Uani 1 1 d DU . .
H110 H 0.1189 0.7395 0.0709 0.174 Uiso 1 1 calc R . .
C111 C 0.0525(18) 0.7763(15) 0.1111(15) 0.149(11) Uani 1 1 d DU . .
H111 H 0.0365 0.7466 0.1267 0.178 Uiso 1 1 calc R . .
C112 C 0.0234(18) 0.8245(19) 0.1246(16) 0.25(4) Uani 1 1 d D . .
H112 H -0.0101 0.8286 0.1488 0.301 Uiso 1 1 calc R . .
C113 C 0.0528(15) 0.8662(13) 0.0959(12) 0.139(10) Uani 1 1 d DU . .
H113 H 0.0367 0.8993 0.1019 0.167 Uiso 1 1 calc R . .
C114 C 0.908(2) 0.959(4) 0.119(4) 0.126(7) Uiso 0.274(7) 1 d PDU A 2
C115 C 0.842(5) 0.875(2) 0.091(3) 0.126(7) Uiso 0.274(7) 1 d PDU A 2
C116 C 0.780(4) 0.961(3) 0.082(2) 0.126(7) Uiso 0.274(7) 1 d PDU A 2
C117 C 0.873(5) 0.846(2) 0.198(2) 0.143(7) Uiso 0.274(7) 1 d PDU A 2
H117 H 0.8749 0.8346 0.1649 0.171 Uiso 0.274(7) 1 calc PR A 2
C118 C 0.894(4) 0.813(2) 0.232(3) 0.155(8) Uiso 0.274(7) 1 d PDU A 2
H118 H 0.9105 0.7804 0.2228 0.185 Uiso 0.274(7) 1 calc PR A 2
C119 C 0.891(6) 0.827(3) 0.282(3) 0.164(8) Uiso 0.274(7) 1 d PDU A 2
H119 H 0.9056 0.806 0.3086 0.196 Uiso 0.274(7) 1 calc PR A 2
C120 C 0.865(6) 0.876(3) 0.2892(16) 0.164(9) Uiso 0.274(7) 1 d PDU A 2
H120 H 0.8604 0.8868 0.3227 0.197 Uiso 0.274(7) 1 calc PR A 2
C121 C 0.841(5) 0.916(2) 0.2475(13) 0.142(7) Uiso 0.274(7) 1 d PDU A 2
C122 C 0.816(4) 0.969(2) 0.2415(15) 0.140(8) Uiso 0.274(7) 1 d PDU A 2
C123 C 0.797(5) 1.015(3) 0.2752(19) 0.164(9) Uiso 0.274(7) 1 d PDU A 2
H123 H 0.8017 1.0105 0.3099 0.197 Uiso 0.274(7) 1 calc PR A 2
C124 C 0.772(6) 1.061(3) 0.260(3) 0.163(8) Uiso 0.274(7) 1 d PDU A 2
H124 H 0.7651 1.0881 0.2819 0.196 Uiso 0.274(7) 1 calc PR A 2
C125 C 0.759(5) 1.065(2) 0.209(3) 0.154(8) Uiso 0.274(7) 1 d PDU A 2
H125 H 0.7401 1.0939 0.1949 0.185 Uiso 0.274(7) 1 calc PR A 2
C126 C 0.776(5) 1.024(2) 0.180(2) 0.143(7) Uiso 0.274(7) 1 d PDU A 2
H126 H 0.7666 1.0278 0.1458 0.171 Uiso 0.274(7) 1 calc PR A 2
C214 C 0.9005(13) 0.9552(18) 0.088(2) 0.127(7) Uiso 0.726(7) 1 d PDU A 1
C215 C 0.840(2) 0.8679(12) 0.0637(16) 0.127(7) Uiso 0.726(7) 1 d PDU A 1
C216 C 0.775(2) 0.9495(19) 0.0425(10) 0.126(7) Uiso 0.726(7) 1 d PDU A 1
C217 C 0.875(2) 0.8661(12) 0.1814(14) 0.142(7) Uiso 0.726(7) 1 d PDU A 1
H217 H 0.8855 0.8484 0.1517 0.171 Uiso 0.726(7) 1 calc PR A 1
C218 C 0.894(2) 0.8443(13) 0.2254(15) 0.155(8) Uiso 0.726(7) 1 d PDU A 1
H218 H 0.9193 0.8141 0.2264 0.186 Uiso 0.726(7) 1 calc PR A 1
C219 C 0.874(3) 0.8689(19) 0.2681(14) 0.164(8) Uiso 0.726(7) 1 d PDU A 1
H219 H 0.8772 0.8526 0.2993 0.197 Uiso 0.726(7) 1 calc PR A 1
C220 C 0.851(3) 0.9156(16) 0.2650(10) 0.165(8) Uiso 0.726(7) 1 d PDU A 1
H220 H 0.8463 0.9347 0.2946 0.197 Uiso 0.726(7) 1 calc PR A 1
C221 C 0.829(2) 0.9409(14) 0.2143(10) 0.141(7) Uiso 0.726(7) 1 d PDU A 1
C222 C 0.794(2) 0.9882(13) 0.1970(11) 0.141(7) Uiso 0.726(7) 1 d PDU A 1
C223 C 0.759(3) 1.0366(14) 0.2189(12) 0.164(8) Uiso 0.726(7) 1 d PDU A 1
H223 H 0.7628 1.0419 0.2536 0.196 Uiso 0.726(7) 1 calc PR A 1
C224 C 0.724(3) 1.0698(18) 0.1943(16) 0.163(8) Uiso 0.726(7) 1 d PDU A 1
H224 H 0.7002 1.0955 0.2109 0.196 Uiso 0.726(7) 1 calc PR A 1
C225 C 0.724(2) 1.0660(14) 0.1416(15) 0.154(8) Uiso 0.726(7) 1 d PDU A 1
H225 H 0.7036 1.0903 0.1209 0.184 Uiso 0.726(7) 1 calc PR A 1
C226 C 0.755(2) 1.0253(14) 0.1236(12) 0.142(7) Uiso 0.726(7) 1 d PDU A 1
H226 H 0.755 1.0223 0.0885 0.171 Uiso 0.726(7) 1 calc PR A 1
C500 C 0.129(3) 0.597(4) 0.019(4) 0.224(15) Uiso 0.5 1 d PDU D 2
C501 C 0.082(3) 0.567(2) 0.044(2) 0.224(15) Uiso 0.5 1 d PDU D 2
H50A H 0.0847 0.5319 0.0318 0.336 Uiso 0.5 1 calc PR D 2
H50B H 0.0381 0.58 0.0389 0.336 Uiso 0.5 1 calc PR D 2
H50C H 0.0922 0.5668 0.0799 0.336 Uiso 0.5 1 calc PR D 2
C510 C 0.010(3) 0.440(2) 0.129(2) 0.224(15) Uiso 0.5 1 d PRDU D 1
C511 C 0.065(3) 0.473(2) 0.121(2) 0.224(15) Uiso 0.5 1 d PRDU D 1
H51A H 0.0587 0.4914 0.0895 0.336 Uiso 0.5 1 calc PR D 1
H51B H 0.1054 0.4526 0.1183 0.336 Uiso 0.5 1 calc PR D 1
H51C H 0.069 0.4967 0.1481 0.336 Uiso 0.5 1 calc PR D 1
C520 C 0.693(4) 1.046(3) 0.405(5) 0.224(15) Uiso 0.5 1 d PDU E 1
C521 C 0.757(4) 1.053(2) 0.385(2) 0.224(15) Uiso 0.5 1 d PDU E 1
H52A H 0.7596 1.0869 0.3693 0.336 Uiso 0.5 1 calc PR E 1
H52B H 0.7655 1.0275 0.3593 0.336 Uiso 0.5 1 calc PR E 1
H52C H 0.7901 1.0507 0.4109 0.336 Uiso 0.5 1 calc PR E 1
C530 C 0.814(4) 0.531(2) 0.146(2) 0.224(15) Uiso 0.5 1 d PRDU E 2
C531 C 0.873(4) 0.524(2) 0.114(2) 0.224(15) Uiso 0.5 1 d PRD E 2
H53A H 0.9021 0.4987 0.1297 0.336 Uiso 0.5 1 calc PR E 2
H53B H 0.8965 0.5558 0.1107 0.336 Uiso 0.5 1 calc PR E 2
H53C H 0.8596 0.5116 0.0814 0.336 Uiso 0.5 1 calc PR E 2
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'
F F 0.0727 0.0534 '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'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -5.2083 5.8923 '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_3
N8 Rh1 Rh2 83.4(7) .
N6 Rh1 Rh2 87.0(6) .
N4 Rh1 Rh2 88.6(6) .
N2 Rh1 Rh2 88.0(5) .
N1 Rh1 Rh2 177.1(11) .
N6 Rh1 N8 89.9(8) .
N4 Rh1 N8 90.0(9) .
N2 Rh1 N8 171.4(8) .
N6 Rh1 N4 175.6(9) .
N2 Rh1 N4 89.8(8) .
N6 Rh1 N2 89.6(7) .
N8 Rh1 N1 94.8(15) .
N6 Rh1 N1 90.8(13) .
N4 Rh1 N1 93.6(13) .
N2 Rh1 N1 93.8(14) .
N9 Rh2 Rh1 88.9(8) .
N7 Rh2 Rh1 87.6(6) .
N5 Rh2 Rh1 88.2(7) .
N3 Rh2 Rh1 88.3(5) .
N9 Rh2 N7 90.3(9) .
N9 Rh2 N5 90.2(10) .
N7 Rh2 N5 175.7(9) .
N3 Rh2 N5 90.4(8) .
N9 Rh2 N3 177.1(9) .
N7 Rh2 N3 88.8(8) .
C77 Re1 N15 171.2(12) .
C76 Re1 N15 99.4(16) .
C75 Re1 N15 97.3(11) .
N15 Re1 N14 75.8(11) .
C77 Re1 N14 98.8(15) .
C76 Re1 N14 175.1(16) .
C75 Re1 N14 92.4(10) .
N15 Re1 N10 80.2(8) .
N14 Re1 N10 86.2(8) .
C77 Re1 N10 92.6(10) .
C76 Re1 N10 92.6(11) .
C75 Re1 N10 177.4(10) .
C77 Re1 C76 85.9(19) .
C77 Re1 C75 89.8(12) .
C76 Re1 C75 88.6(13) .
C90 Re2 N17 172.9(13) .
C89 Re2 N17 100.8(17) .
C88 Re2 N17 95.9(11) .
N17 Re2 N16 76.4(11) .
N11 Re2 N16 83.4(8) .
C90 Re2 N16 97.6(13) .
C89 Re2 N16 176.1(15) .
C88 Re2 N16 93.5(9) .
N17 Re2 N11 82.8(8) .
C90 Re2 N11 93.0(12) .
C89 Re2 N11 93.6(13) .
C88 Re2 N11 176.9(10) .
C90 Re2 C89 85.0(18) .
C90 Re2 C88 88.0(13) .
C89 Re2 C88 89.4(13) .
C103 Re3 N19 171.4(19) .
C102 Re3 N19 102.0(18) .
C101 Re3 N19 94.9(18) .
N19 Re3 N18 77.7(12) .
N12 Re3 N18 83.9(11) .
C103 Re3 N18 94.5(19) .
C102 Re3 N18 175.6(17) .
C101 Re3 N18 96(2) .
N19 Re3 N12 81.5(8) .
C103 Re3 N12 94.2(16) .
C102 Re3 N12 91.7(16) .
C101 Re3 N12 176.4(18) .
C102 Re3 C103 85(2) .
C103 Re3 C101 89(2) .
C102 Re3 C101 89(2) .
C116 Re4A N21 100(3) .
C115 Re4A N21 171(4) .
C114 Re4A N21 96(5) .
N21 Re4A N20 73.9(9) .
C116 Re4A N20 165(4) .
C115 Re4A N20 99(3) .
C114 Re4A N20 100(3) .
N21 Re4A N13A 80(3) .
N20 Re4A N13A 79(2) .
C116 Re4A N13A 86(3) .
C115 Re4A N13A 95(4) .
C114 Re4A N13A 175(4) .
C116 Re4A C115 87(2) .
C114 Re4A C115 89(3) .
C116 Re4A C114 94(3) .
N30 Re4B N31 72.6(8) .
C216 Re4B N31 95.3(17) .
C215 Re4B N31 176.3(18) .
C214 Re4B N31 93(2) .
C216 Re4B N30 165.9(17) .
C215 Re4B N30 105.4(17) .
C214 Re4B N30 92(2) .
N31 Re4B N13B 82.0(12) .
N30 Re4B N13B 80.4(12) .
C216 Re4B N13B 90.8(16) .
C215 Re4B N13B 94.7(17) .
C214 Re4B N13B 171.7(17) .
C216 Re4B C215 86(2) .
C214 Re4B C215 90(2) .
C216 Re4B C214 96(2) .
F5 P1 F6 90.7(9) .
F6 P1 F4 89.8(9) .
F5 P1 F4 90.3(9) .
F6 P1 F3 90.3(9) .
F5 P1 F3 90.2(9) .
F4 P1 F3 179.5(13) .
F1 P1 F3 89.6(9) .
F6 P1 F2 89.2(9) .
F5 P1 F2 179.6(13) .
F4 P1 F2 90.1(9) .
F3 P1 F2 89.4(9) .
F1 P1 F2 90.0(9) .
F6 P1 F1 179.2(12) .
F5 P1 F1 90.1(9) .
F4 P1 F1 90.3(9) .
F10 P2 F9 179(5) .
F9 P2 F8 87.9(19) .
F11 P2 F8 178(2) .
F10 P2 F8 91.3(19) .
F9 P2 F7 87.5(19) .
F8 P2 F7 91.6(19) .
F11 P2 F7 89.4(19) .
F10 P2 F7 93(2) .
F9 P2 F12 90.6(19) .
F8 P2 F12 84.1(18) .
F7 P2 F12 175(2) .
F11 P2 F12 95(2) .
F10 P2 F12 89.2(19) .
F9 P2 F11 90.9(19) .
F10 P2 F11 89.9(19) .
F17 P3 F18 90.7(19) .
F16 P3 F18 88.4(18) .
F15 P3 F18 92.0(19) .
F14 P3 F18 87.0(18) .
F13 P3 F18 177(2) .
F16 P3 F17 91.7(18) .
F15 P3 F17 89.2(18) .
F14 P3 F17 175(2) .
F13 P3 F17 91.4(19) .
F15 P3 F16 179(2) .
F14 P3 F16 92.9(19) .
F13 P3 F16 90.2(19) .
F14 P3 F15 86.3(18) .
F13 P3 F15 89.3(18) .
F13 P3 F14 90.9(18) .
F23 P4 F24 90.9(19) .
F19 P4 F24 176(2) .
F19 P4 F23 93.0(19) .
F24 P4 F22 87.9(18) .
F23 P4 F22 92.8(19) .
F19 P4 F22 91.6(19) .
F24 P4 F21 93.7(19) .
F23 P4 F21 89.3(18) .
F22 P4 F21 177(2) .
F19 P4 F21 86.7(18) .
F24 P4 F20 85.3(18) .
F23 P4 F20 174(2) .
F22 P4 F20 91.2(19) .
F21 P4 F20 86.9(18) .
F19 P4 F20 90.8(19) .
F29 P5 F30 90.4 .
F28 P5 F30 89.2 .
F27 P5 F30 88.5 .
F26 P5 F30 89.3 .
F25 P5 F30 178.7(2) .
F29 P5 F28 90.2 .
F29 P5 F27 89.8 .
F28 P5 F27 178.85(11) .
F26 P5 F27 90.2 .
F25 P5 F27 91.8 .
F29 P5 F26 179.7(4) .
F28 P5 F26 89.8 .
F25 P5 F26 89.4 .
F29 P5 F25 90.9 .
F28 P5 F25 90.5 .
C1 N1 Rh1 179(4) .
C9 N2 Rh1 119.2(12) .
C3 N2 Rh1 117.6(13) .
C3 N2 C9 120.8(16) .
C3 N3 Rh2 118.3(15) .
C15 N3 Rh2 117.3(13) .
C3 N3 C15 124(2) .
C27 N4 Rh1 118.3(16) .
C21 N4 Rh1 114(2) .
C21 N4 C27 124(2) .
C33 N5 Rh2 118.5(19) .
C21 N5 Rh2 117.9(19) .
C21 N5 C33 123(2) .
C45 N6 Rh1 116.9(15) .
C39 N6 Rh1 119.0(15) .
C39 N6 C45 123(2) .
C51 N7 Rh2 120.3(15) .
C39 N7 Rh2 118.3(17) .
C39 N7 C51 121(2) .
C63 N8 Rh1 112(2) .
C57 N8 Rh1 119.9(19) .
C57 N8 C63 127(2) .
C69 N9 Rh2 117.3(19) .
C57 N9 Rh2 122(2) .
C57 N9 C69 120(3) .
C7 N10 Re1 118.7(17) .
C6 N10 Re1 120.0(17) .
C6 N10 C7 121(2) .
C25 N11 Re2 122.8(17) .
C24 N11 Re2 119.3(14) .
C25 N11 C24 118(2) .
C43 N12 Re3 120(2) .
C42 N12 Re3 125(2) .
C42 N12 C43 115(3) .
C61A N13A Re4A 126(4) .
C60A N13A Re4A 118(4) .
C61A N13A C60A 117(3) .
C61B N13B Re4B 125(2) .
C60B N13B Re4B 121(2) .
C60B N13B C61B 114(3) .
C82 N14 Re1 112.9(19) .
C78 N14 Re1 128(2) .
C78 N14 C82 119(2) .
C87 N15 Re1 125(2) .
C83 N15 Re1 118(2) .
C87 N15 C83 116(3) .
C95 N16 Re2 112.3(19) .
C91 N16 Re2 129(2) .
C91 N16 C95 119(3) .
C96 N17 Re2 119(2) .
C100 N17 Re2 124(2) .
C100 N17 C96 117(3) .
C108 N18 Re3 112(2) .
C104 N18 Re3 127(3) .
C104 N18 C108 121(3) .
C113 N19 Re3 127(2) .
C109 N19 Re3 115(2) .
C113 N19 C109 118(3) .
C121 N20 Re4A 119.6(14) .
C117 N20 Re4A 115(2) .
C117 N20 C121 126(2) .
C126 N21 Re4A 116(2) .
C122 N21 Re4A 119.6(15) .
C126 N21 C122 124(2) .
C221 N30 Re4B 121.1(12) .
C217 N30 Re4B 113.2(19) .
C217 N30 C221 125.7(18) .
C226 N31 Re4B 115.4(19) .
C222 N31 Re4B 120.4(12) .
C226 N31 C222 123.9(18) .
C510 N510 F18 122(3) 3_545
P3 F18 N510 156(4) 3
N1 C1 C2 175(7) .
H2B C2 H2C 109.5 .
H2A C2 H2C 109.5 .
C1 C2 H2C 109.5 .
H2A C2 H2B 109.5 .
C1 C2 H2B 109.5 .
C1 C2 H2A 109.5 .
N3 C3 N2 124(2) .
N3 C3 C4 118.8(19) .
N2 C3 C4 117.3(18) .
C8 C4 C5 119.0(19) .
C8 C4 C3 125(2) .
C5 C4 C3 116(2) .
C6 C5 H5 122.7 .
C4 C5 H5 122.7 .
C6 C5 C4 115(2) .
N10 C6 H6 116.9 .
C5 C6 H6 116.9 .
N10 C6 C5 126(3) .
N10 C7 H7 121.8 .
C8 C7 H7 121.8 .
N10 C7 C8 116(3) .
C7 C8 H8 118.9 .
C4 C8 H8 118.9 .
C4 C8 C7 122(2) .
C14 C9 N2 122.3(18) .
C10 C9 N2 118.3(17) .
C10 C9 C14 119.4(17) .
C9 C10 H10 120.1 .
C11 C10 H10 120.1 .
C9 C10 C11 119.9(18) .
C12 C11 H11 120.6 .
C10 C11 H11 120.6 .
C12 C11 C10 118.8(19) .
C13 C12 H12 119.1 .
C11 C12 H12 119.1 .
C11 C12 C13 121.9(19) .
C14 C13 H13 119.9 .
C12 C13 H13 119.9 .
C12 C13 C14 120.3(18) .
C9 C14 H14 120.3 .
C13 C14 H14 120.3 .
C13 C14 C9 119.5(18) .
C16 C15 N3 123.1(18) .
N3 C15 C20 118(2) .
C16 C15 C20 118.1(16) .
C17 C16 H16 119.3 .
C15 C16 H16 119.3 .
C15 C16 C17 121.5(17) .
C18 C17 H17 120.6 .
C16 C17 H17 120.6 .
C18 C17 C16 118.8(18) .
C19 C18 H18 119.7 .
C17 C18 H18 119.7 .
C17 C18 C19 120.6(18) .
C20 C19 H19 119.5 .
C18 C19 H19 119.5 .
C18 C19 C20 121.0(19) .
C19 C20 H20 120 .
C15 C20 H20 120 .
C15 C20 C19 120.0(19) .
N5 C21 N4 127(3) .
N5 C21 C22 124(3) .
N4 C21 C22 109(3) .
C23 C22 C26 119(2) .
C26 C22 C21 119(2) .
C23 C22 C21 119(2) .
C24 C23 H23 120.7 .
C22 C23 H23 120.7 .
C22 C23 C24 119(2) .
N11 C24 H24 119.1 .
C23 C24 H24 119.1 .
N11 C24 C23 122(2) .
N11 C25 H25 118.3 .
C26 C25 H25 118.3 .
N11 C25 C26 123(2) .
C25 C26 H26 121.1 .
C22 C26 H26 121.1 .
C22 C26 C25 118(2) .
C32 C27 N4 118(2) .
C28 C27 N4 122.3(19) .
C28 C27 C32 119.6(19) .
C29 C28 H28 120.2 .
C27 C28 H28 120.2 .
C27 C28 C29 119.6(18) .
C30 C29 H29 120.5 .
C28 C29 H29 120.5 .
C30 C29 C28 119.0(19) .
C31 C30 H30 119.1 .
C29 C30 H30 119.1 .
C29 C30 C31 121.8(19) .
C32 C31 H31 119.9 .
C30 C31 H31 119.9 .
C30 C31 C32 120.2(18) .
C31 C32 H32 120.2 .
C27 C32 H32 120.2 .
C27 C32 C31 119.6(18) .
C38 C33 N5 121(2) .
C34 C33 N5 119.2(19) .
C34 C33 C38 119.5(18) .
C35 C34 H34 120.7 .
C33 C34 H34 120.7 .
C33 C34 C35 118.6(19) .
C36 C35 H35 120.4 .
C34 C35 H35 120.4 .
C36 C35 C34 119(2) .
C37 C36 H36 118.5 .
C35 C36 H36 118.5 .
C37 C36 C35 123(2) .
C38 C37 H37 120.8 .
C36 C37 H37 120.8 .
C36 C37 C38 118(2) .
C37 C38 H38 119.5 .
C33 C38 H38 119.5 .
C37 C38 C33 121(2) .
N6 C39 N7 124(2) .
N7 C39 C40 116(2) .
N6 C39 C40 120(2) .
C44 C40 C41 115(3) .
C44 C40 C39 121(2) .
C41 C40 C39 124(3) .
C42 C41 H41 119.5 .
C40 C41 H41 119.5 .
C42 C41 C40 121(3) .
N12 C42 H42 116.4 .
C41 C42 H42 116.4 .
N12 C42 C41 127(3) .
N12 C43 H43 118.9 .
C44 C43 H43 118.9 .
N12 C43 C44 122(3) .
C43 C44 H44 120.4 .
C40 C44 H44 120.4 .
C40 C44 C43 119(3) .
C50 C45 N6 120.8(19) .
C46 C45 N6 120.1(19) .
C46 C45 C50 119.0(17) .
C47 C46 H46 120.2 .
C45 C46 H46 120.2 .
C45 C46 C47 119.7(18) .
C48 C47 H47 120.3 .
C46 C47 H47 120.3 .
C48 C47 C46 119.4(19) .
C49 C48 H48 119.1 .
C47 C48 H48 119.1 .
C47 C48 C49 121.9(19) .
C50 C49 H49 120.2 .
C48 C49 H49 120.2 .
C48 C49 C50 120(2) .
C49 C50 H50 119.8 .
C45 C50 H50 119.8 .
C49 C50 C45 120.4(19) .
C52 C51 N7 123(2) .
N7 C51 C56 121(2) .
C52 C51 C56 116.0(18) .
C53 C52 H52 119.1 .
C51 C52 H52 119.1 .
C51 C52 C53 122(2) .
C54 C53 H53 120.1 .
C52 C53 H53 120.1 .
C54 C53 C52 120(2) .
C55 C54 H54 120 .
C53 C54 H54 120 .
C55 C54 C53 120(2) .
C56 C55 H55 119.8 .
C54 C55 H55 119.8 .
C54 C55 C56 120(2) .
C55 C56 H56 118.9 .
C51 C56 H56 118.9 .
C55 C56 C51 122.1(19) .
N9 C57 N8 121(3) .
N9 C57 C58B 120(2) .
N8 C57 C58B 118(2) .
N9 C57 C58A 138(3) .
N8 C57 C58A 100(2) .
C62A C58A C59A 118(3) .
C62A C58A C57 130(5) .
C59A C58A C57 113(5) .
C62B C58B C59B 116(3) .
C62B C58B C57 120(2) .
C59B C58B C57 124(2) .
C60A C59A H59A 120.8 .
C58A C59A H59A 120.8 .
C60A C59A C58A 118(3) .
C60B C59B H59B 120.7 .
C58B C59B H59B 120.7 .
C60B C59B C58B 119(2) .
C59A C60A N13A 124(3) .
N13A C60A H60A 117.8 .
C59A C60A H60A 117.8 .
C59B C60B N13B 126(3) .
N13B C60B H60B 116.9 .
C59B C60B H60B 116.9 .
C62A C61A N13A 125(3) .
N13A C61A H61A 117.7 .
C62A C61A H61A 116 .
C62B C61B N13B 125(3) .
N13B C61B H61B 117.6 .
C62B C61B H61B 117.6 .
C61A C62A H62A 122 .
C58A C62A H62A 120.9 .
C61A C62A C58A 118(3) .
C61B C62B H62B 120 .
C58B C62B H62B 120 .
C61B C62B C58B 120(3) .
C68 C63 N8 117(2) .
C64 C63 N8 123(2) .
C64 C63 C68 120(2) .
C65 C64 H64 120.9 .
C63 C64 H64 120.9 .
C63 C64 C65 118(2) .
C66 C65 H65 120.6 .
C64 C65 H65 120.6 .
C66 C65 C64 119(2) .
C67 C66 H66 118 .
C65 C66 H66 118 .
C65 C66 C67 124(2) .
C68 C67 H67 121.2 .
C66 C67 H67 121.2 .
C66 C67 C68 118(2) .
C67 C68 H68 119.5 .
C63 C68 H68 119.5 .
C67 C68 C63 121(2) .
C74 C69 N9 117(2) .
C70 C69 N9 123(3) .
C70 C69 C74 119(2) .
C71 C70 H70 119.4 .
C69 C70 H70 119.4 .
C69 C70 C71 121(2) .
C72 C71 H71 120.9 .
C70 C71 H71 120.9 .
C72 C71 C70 118(2) .
C73 C72 H72 119 .
C71 C72 H72 119 .
C71 C72 C73 122(2) .
C74 C73 H73 119.7 .
C72 C73 H73 119.7 .
C72 C73 C74 121(2) .
C73 C74 H74 120.3 .
C69 C74 H74 120.3 .
C73 C74 C69 119(2) .
O1 C75 Re1 179(3) .
O2 C76 Re1 175(3) .
O3 C77 Re1 171(3) .
N14 C78 H78 118.4 .
C79 C78 H78 118.4 .
N14 C78 C79 123(3) .
C80 C79 H79 121.1 .
C78 C79 H79 121.1 .
C78 C79 C80 118(3) .
C81 C80 H80 118.2 .
C79 C80 H80 118.2 .
C81 C80 C79 124(3) .
C82 C81 H81 122.1 .
C80 C81 H81 122.1 .
C80 C81 C82 116(3) .
N14 C82 C83 118(3) .
C81 C82 C83 122(3) .
N14 C82 C81 120(3) .
C84 C83 N15 124(3) .
N15 C83 C82 114(3) .
C84 C83 C82 122(3) .
C85 C84 H84 120.2 .
C83 C84 H84 120.2 .
C85 C84 C83 120(4) .
C86 C85 H85 118.4 .
C84 C85 H85 118.4 .
C84 C85 C86 123(3) .
C87 C86 H86 124.5 .
C85 C86 H86 124.5 .
C85 C86 C87 111(3) .
N15 C87 H87 117.2 .
C86 C87 H87 117.2 .
N15 C87 C86 126(3) .
O4 C88 Re2 173(2) .
O5 C89 Re2 173(5) .
O6 C90 Re2 176(3) .
N16 C91 H91 116.9 .
C92 C91 H91 116.9 .
N16 C91 C92 126(3) .
C93 C92 H92 122.7 .
C91 C92 H92 122.7 .
C91 C92 C93 115(3) .
C94 C93 H93 117.6 .
C92 C93 H93 117.6 .
C94 C93 C92 125(3) .
C95 C94 H94 121.1 .
C93 C94 H94 121.1 .
C93 C94 C95 118(4) .
N16 C95 C96 119(3) .
C94 C95 C96 124(3) .
N16 C95 C94 118(3) .
C97 C96 N17 124(3) .
N17 C96 C95 113(3) .
C97 C96 C95 122(3) .
C98 C97 H97 120 .
C96 C97 H97 120 .
C98 C97 C96 120(4) .
C99 C98 H98 118.9 .
C97 C98 H98 118.9 .
C97 C98 C99 122(3) .
C98 C99 H99 124.1 .
C100 C99 H99 124.1 .
C98 C99 C100 112(3) .
N17 C100 H100 117.6 .
C99 C100 H100 117.6 .
N17 C100 C99 125(3) .
O7 C101 Re3 173(6) .
O8 C102 Re3 174(5) .
O9 C103 Re3 174(5) .
N18 C104 H104 117 .
C105 C104 H104 117 .
N18 C104 C105 126(4) .
C106 C105 H105 123.3 .
C104 C105 H105 123.3 .
C104 C105 C106 113(4) .
C107 C106 H106 117.2 .
C105 C106 H106 117.2 .
C107 C106 C105 126(4) .
C108 C107 H107 121.1 .
C106 C107 H107 121.1 .
C106 C107 C108 118(4) .
N18 C108 C109 118(3) .
C107 C108 C109 126(4) .
N18 C108 C107 116(3) .
C110 C109 N19 122(3) .
N19 C109 C108 114(3) .
C110 C109 C108 123(3) .
C111 C110 H110 119.5 .
C109 C110 H110 119.5 .
C111 C110 C109 121(4) .
C112 C111 H111 118.5 .
C110 C111 H111 118.5 .
C110 C111 C112 123(3) .
C113 C112 H112 124.4 .
C111 C112 H112 124.4 .
C111 C112 C113 111(3) .
N19 C113 H113 117.6 .
C112 C113 H113 117.6 .
N19 C113 C112 125(3) .
O10 C114 Re4A 169(6) .
O11 C115 Re4A 172(6) .
O12 C116 Re4A 168(6) .
N20 C117 H117 114.8 .
C118 C117 H117 114.8 .
N20 C117 C118 130(3) .
C119 C118 H118 120 .
C117 C118 H118 121.3 .
C117 C118 C119 117(2) .
C120 C119 H119 123.4 .
C118 C119 H119 123.4 .
C118 C119 C120 113(3) .
C121 C120 H120 116 .
C119 C120 H120 116 .
C119 C120 C121 128(2) .
N20 C121 C122 113.1(17) .
N20 C121 C120 105.3(19) .
C122 C121 C120 142(2) .
N21 C122 C123 108(2) .
C121 C122 C123 138(3) .
N21 C122 C121 113.4(17) .
C124 C123 H123 116.6 .
C122 C123 H123 116.6 .
C124 C123 C122 127(3) .
C125 C124 H124 122.4 .
C123 C124 H124 122.4 .
C123 C124 C125 115(3) .
C126 C125 H125 121.4 .
C124 C125 H125 121.4 .
C126 C125 C124 117(2) .
N21 C126 H126 116 .
C125 C126 H126 116 .
N21 C126 C125 128(3) .
O20 C214 Re4B 173(5) .
O21 C215 Re4B 169(4) .
O22 C216 Re4B 167(4) .
N30 C217 H217 117.3 .
C218 C217 H217 117.3 .
N30 C217 C218 125(2) .
C219 C218 H218 122 .
C217 C218 H218 122 .
C217 C218 C219 116(2) .
C220 C219 H219 120.3 .
C218 C219 H219 120.3 .
C220 C219 C218 119(3) .
C221 C220 H220 118.4 .
C219 C220 H220 118.4 .
C219 C220 C221 123(2) .
N30 C221 C222 113.0(15) .
N30 C221 C220 108.7(17) .
C222 C221 C220 138(2) .
N31 C222 C223 107.0(16) .
C221 C222 C223 140(2) .
N31 C222 C221 112.7(15) .
C224 C223 H223 116.6 .
C222 C223 H223 116.6 .
C224 C223 C222 127(2) .
C225 C224 H224 121.3 .
C223 C224 H224 121.3 .
C223 C224 C225 117(3) .
C226 C225 H225 122.7 .
C224 C225 H225 122.7 .
C226 C225 C224 114.6(19) .
N31 C226 H226 115.1 .
C225 C226 H226 115.1 .
N31 C226 C225 130(2) .
N500 C500 C501 167(2) .
H50B C501 H50C 110 .
H50A C501 H50C 108 .
C500 C501 H50C 111 .
H50A C501 H50B 109.5 .
C500 C501 H50B 109.5 .
C500 C501 H50A 109.5 .
N510 C510 C511 163.2 .
H51B C511 H51C 109.5 .
H51A C511 H51C 110 .
C510 C511 H51C 109.5 .
H51A C511 H51B 108 .
C510 C511 H51B 109.5 .
C510 C511 H51A 109.5 .
N520 C520 C521 167(2) .
H52B C521 H52C 109.5 .
H52A C521 H52C 109.5 .
C520 C521 H52C 111 .
H52A C521 H52B 108 .
C520 C521 H52B 109.5 .
C520 C521 H52A 109.5 .
N530 C530 C531 143 .
H53B C531 H53C 109.5 .
H53A C531 H53C 109.5 .
C530 C531 H53C 109.5 .
H53A C531 H53B 109.5 .
C530 C531 H53B 109.5 .
C530 C531 H53A 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 Rh2 2.414(3) .
Rh1 N8 2.13(2) .
Rh1 N6 2.069(19) .
Rh1 N4 2.10(2) .
Rh1 N2 2.076(16) .
Rh1 N1 2.17(3) .
Rh2 N9 2.05(2) .
Rh2 N7 2.060(18) .
Rh2 N5 2.07(2) .
Rh2 N3 2.063(19) .
Re1 N15 2.12(2) .
Re1 N14 2.217(19) .
Re1 N10 2.243(16) .
Re1 C77 1.90(3) .
Re1 C76 1.91(3) .
Re1 C75 1.908(9) .
Re2 N17 2.10(2) .
Re2 N16 2.209(19) .
Re2 N11 2.203(19) .
Re2 C90 1.90(3) .
Re2 C89 1.90(3) .
Re2 C88 1.91(2) .
Re3 N19 2.10(2) .
Re3 N18 2.19(2) .
Re3 N12 2.18(2) .
Re3 C103 1.91(4) .
Re3 C102 1.90(4) .
Re3 C101 1.91(4) .
Re4A N21 2.15(2) .
Re4A N20 2.15(2) .
Re4A N13A 2.21(3) .
Re4A C116 1.908(10) .
Re4A C115 1.916(9) .
Re4A C114 1.910(10) .
Re4B N31 2.171(18) .
Re4B N30 2.165(18) .
Re4B N13B 2.25(3) .
Re4B C216 1.904(9) .
Re4B C215 1.910(9) .
Re4B C214 1.906(9) .
P1 F6 1.60(2) .
P1 F5 1.60(2) .
P1 F4 1.60(2) .
P1 F3 1.61(2) .
P1 F2 1.61(2) .
P1 F1 1.60(2) .
P2 F9 1.60(6) .
P2 F8 1.60(7) .
P2 F7 1.61(5) .
P2 F12 1.62(6) .
P2 F11 1.60(6) .
P2 F10 1.60(6) .
P3 F18 1.61(2) .
P3 F17 1.61(5) .
P3 F16 1.61(5) .
P3 F15 1.61(5) .
P3 F14 1.60(5) .
P3 F13 1.60(2) .
P4 F24 1.60(5) .
P4 F23 1.60(6) .
P4 F22 1.61(5) .
P4 F21 1.62(5) .
P4 F20 1.62(6) .
P4 F19 1.60(5) .
P5 F30 1.6094 .
P5 F29 1.5847 .
P5 F28 1.5937 .
P5 F27 1.6061 .
P5 F26 1.6045 .
P5 F25 1.5987 .
O1 C75 1.15(2) .
O2 C76 1.15(4) .
O3 C77 1.16(4) .
O4 C88 1.16(3) .
O5 C89 1.15(4) .
O6 C90 1.16(3) .
O7 C101 1.15(6) .
O8 C102 1.16(5) .
O9 C103 1.15(5) .
O10 C114 1.158(10) .
O11 C115 1.1502(12) .
O12 C116 1.160(10) .
O20 C214 1.157(9) .
O21 C215 1.159(9) .
O22 C216 1.163(9) .
N1 C1 1.10(5) .
N2 C9 1.42(2) .
N2 C3 1.34(3) .
N3 C3 1.31(3) .
N3 C15 1.38(2) .
N4 C27 1.40(3) .
N4 C21 1.37(4) .
N5 C33 1.42(3) .
N5 C21 1.27(4) .
N6 C45 1.44(3) .
N6 C39 1.29(3) .
N7 C51 1.37(3) .
N7 C39 1.30(3) .
N8 C63 1.49(3) .
N8 C57 1.33(4) .
N9 C69 1.45(4) .
N9 C57 1.19(3) .
N10 C7 1.36(3) .
N10 C6 1.24(3) .
N11 C25 1.32(3) .
N11 C24 1.39(3) .
N12 C43 1.32(4) .
N12 C42 1.29(4) .
N13A C61A 1.33(3) .
N13A C60A 1.34(3) .
N13B C61B 1.35(2) .
N13B C60B 1.34(2) .
N14 C82 1.37(3) .
N14 C78 1.27(3) .
N15 C87 1.34(3) .
N15 C83 1.37(3) .
N16 C95 1.37(4) .
N16 C91 1.27(3) .
N17 C96 1.37(3) .
N17 C100 1.34(3) .
N18 C108 1.36(4) .
N18 C104 1.26(3) .
N19 C113 1.35(3) .
N19 C109 1.38(3) .
N20 C121 1.35(2) .
N20 C117 1.301(19) .
N21 C126 1.31(2) .
N21 C122 1.35(2) .
N30 C221 1.348(19) .
N30 C217 1.309(19) .
N31 C226 1.297(18) .
N31 C222 1.361(19) .
N500 C500 1.1309(12) .
N510 F18 1.84(7) 3_545
N510 C510 1.1327 .
N520 C520 1.1310(13) .
N530 C530 1.2047 .
F18 N510 1.84(7) 3
C1 C2 1.40(6) .
C2 H2C 0.98 .
C2 H2B 0.98 .
C2 H2A 0.98 .
C4 C8 1.34(3) .
C4 C5 1.40(3) .
C4 C3 1.54(3) .
C5 H5 0.95 .
C5 C6 1.40(3) .
C6 H6 0.95 .
C7 H7 0.95 .
C7 C8 1.41(3) .
C8 H8 0.95 .
C9 C14 1.390(19) .
C9 C10 1.371(19) .
C10 H10 0.95 .
C10 C11 1.418(19) .
C11 H11 0.95 .
C11 C12 1.34(2) .
C12 H12 0.95 .
C12 C13 1.35(2) .
C13 H13 0.95 .
C13 C14 1.385(19) .
C14 H14 0.95 .
C15 C20 1.383(19) .
C15 C16 1.369(19) .
C16 H16 0.95 .
C16 C17 1.410(19) .
C17 H17 0.95 .
C17 C18 1.35(2) .
C18 H18 0.95 .
C18 C19 1.35(2) .
C19 H19 0.95 .
C19 C20 1.386(19) .
C20 H20 0.95 .
C22 C26 1.40(3) .
C22 C23 1.38(3) .
C22 C21 1.55(4) .
C23 H23 0.95 .
C23 C24 1.40(4) .
C24 H24 0.95 .
C25 H25 0.95 .
C25 C26 1.41(3) .
C26 H26 0.95 .
C27 C32 1.385(19) .
C27 C28 1.372(19) .
C28 H28 0.95 .
C28 C29 1.421(19) .
C29 H29 0.95 .
C29 C30 1.34(2) .
C30 H30 0.95 .
C30 C31 1.35(2) .
C31 H31 0.95 .
C31 C32 1.39(2) .
C32 H32 0.95 .
C33 C38 1.39(2) .
C33 C34 1.37(2) .
C34 H34 0.95 .
C34 C35 1.42(2) .
C35 H35 0.95 .
C35 C36 1.35(2) .
C36 H36 0.95 .
C36 C37 1.35(2) .
C37 H37 0.95 .
C37 C38 1.38(2) .
C38 H38 0.95 .
C40 C44 1.35(4) .
C40 C41 1.38(4) .
C40 C39 1.51(4) .
C41 H41 0.95 .
C41 C42 1.33(4) .
C42 H42 0.95 .
C43 H43 0.95 .
C43 C44 1.46(4) .
C44 H44 0.95 .
C45 C50 1.386(19) .
C45 C46 1.377(19) .
C46 H46 0.95 .
C46 C47 1.412(19) .
C47 H47 0.95 .
C47 C48 1.34(2) .
C48 H48 0.95 .
C48 C49 1.35(2) .
C49 H49 0.95 .
C49 C50 1.384(19) .
C50 H50 0.95 .
C51 C56 1.39(2) .
C51 C52 1.37(2) .
C52 H52 0.95 .
C52 C53 1.41(2) .
C53 H53 0.95 .
C53 C54 1.35(2) .
C54 H54 0.95 .
C54 C55 1.35(2) .
C55 H55 0.95 .
C55 C56 1.38(2) .
C56 H56 0.95 .
C57 C58B 1.53(4) .
C58A C62A 1.41(3) .
C58A C59A 1.41(3) .
C58A C57 1.50(4) .
C58B C62B 1.41(3) .
C58B C59B 1.42(3) .
C59A H59A 0.95 .
C59A C60A 1.32(3) .
C59B H59B 0.95 .
C59B C60B 1.31(3) .
C60A H60A 0.95 .
C60B H60B 0.95 .
C61A H61A 0.95 .
C61A C62A 1.32(3) .
C61B H61B 0.95 .
C61B C62B 1.31(3) .
C62A H62A 0.95 .
C62B H62B 0.95 .
C63 C68 1.39(2) .
C63 C64 1.37(2) .
C64 H64 0.95 .
C64 C65 1.42(5) .
C65 H65 0.95 .
C65 C66 1.35(5) .
C66 H66 0.95 .
C66 C67 1.35(5) .
C67 H67 0.95 .
C67 C68 1.38(5) .
C68 H68 0.95 .
C69 C74 1.39(2) .
C69 C70 1.37(2) .
C70 H70 0.95 .
C70 C71 1.41(5) .
C71 H71 0.95 .
C71 C72 1.35(5) .
C72 H72 0.95 .
C72 C73 1.35(5) .
C73 H73 0.95 .
C73 C74 1.39(5) .
C74 H74 0.95 .
C78 H78 0.95 .
C78 C79 1.33(3) .
C79 H79 0.95 .
C79 C80 1.36(4) .
C80 H80 0.95 .
C80 C81 1.28(4) .
C81 H81 0.95 .
C81 C82 1.43(3) .
C82 C83 1.47(4) .
C83 C84 1.35(3) .
C84 H84 0.95 .
C84 C85 1.34(4) .
C85 H85 0.95 .
C85 C86 1.45(5) .
C86 H86 0.95 .
C86 C87 1.47(4) .
C87 H87 0.95 .
C91 H91 0.95 .
C91 C92 1.33(3) .
C92 H92 0.95 .
C92 C93 1.36(4) .
C93 H93 0.95 .
C93 C94 1.27(4) .
C94 H94 0.95 .
C94 C95 1.42(4) .
C95 C96 1.47(4) .
C96 C97 1.35(3) .
C97 H97 0.95 .
C97 C98 1.34(4) .
C98 H98 0.95 .
C98 C99 1.46(5) .
C99 H99 0.95 .
C99 C100 1.47(4) .
C100 H100 0.95 .
C104 H104 0.95 .
C104 C105 1.33(3) .
C105 H105 0.95 .
C105 C106 1.36(4) .
C106 H106 0.95 .
C106 C107 1.28(4) .
C107 H107 0.95 .
C107 C108 1.42(4) .
C108 C109 1.47(4) .
C109 C110 1.35(3) .
C110 H110 0.95 .
C110 C111 1.34(4) .
C111 H111 0.95 .
C111 C112 1.45(5) .
C112 H112 0.95 .
C112 C113 1.48(4) .
C113 H113 0.95 .
C117 H117 0.95 .
C117 C118 1.35(3) .
C118 H118 0.95 .
C118 C119 1.40(4) .
C119 H119 0.95 .
C119 C120 1.42(4) .
C120 H120 0.95 .
C120 C121 1.61(3) .
C121 C122 1.520(19) .
C122 C123 1.56(3) .
C123 H123 0.95 .
C123 C124 1.38(4) .
C124 H124 0.95 .
C124 C125 1.40(4) .
C125 H125 0.95 .
C125 C126 1.35(3) .
C126 H126 0.95 .
C217 H217 0.95 .
C217 C218 1.37(3) .
C218 H218 0.95 .
C218 C219 1.38(3) .
C219 H219 0.95 .
C219 C220 1.33(4) .
C220 H220 0.95 .
C220 C221 1.58(3) .
C221 C222 1.515(18) .
C222 C223 1.59(3) .
C223 H223 0.95 .
C223 C224 1.31(4) .
C224 H224 0.95 .
C224 C225 1.42(3) .
C225 H225 0.95 .
C225 C226 1.34(3) .
C226 H226 0.95 .
C500 C501 1.4360(12) .
C501 H50C 0.98 .
C501 H50B 0.98 .
C501 H50A 0.98 .
C510 C511 1.4414 .
C511 H51C 0.98 .
C511 H51B 0.98 .
C511 H51A 0.98 .
C520 C521 1.4360(14) .
C521 H52C 0.98 .
C521 H52B 0.98 .
C521 H52A 0.98 .
C530 C531 1.4802 .
C531 H53C 0.98 .
C531 H53B 0.98 .
C531 H53A 0.98 .
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_4
N8 Rh1 Rh2 N9 -15.3(9) .
N8 Rh1 Rh2 N7 -105.7(8) .
N8 Rh1 Rh2 N3 165.5(8) .
N8 Rh1 Rh2 N5 75.0(9) .
N6 Rh1 Rh2 N9 75.0(9) .
N6 Rh1 Rh2 N7 -15.4(8) .
N6 Rh1 Rh2 N3 -104.3(8) .
N6 Rh1 Rh2 N5 165.3(8) .
N4 Rh1 Rh2 N9 -105.5(10) .
N4 Rh1 Rh2 N7 164.1(8) .
N4 Rh1 Rh2 N3 75.3(8) .
N4 Rh1 Rh2 N5 -15.2(9) .
N2 Rh1 Rh2 N9 164.7(9) .
N2 Rh1 Rh2 N7 74.3(8) .
N2 Rh1 Rh2 N3 -14.5(8) .
N2 Rh1 Rh2 N5 -105.0(8) .
Rh2 Rh1 N8 C57 20.9(18) .
Rh2 Rh1 N8 C63 -151.6(16) .
N6 Rh1 N8 C57 -66(2) .
N6 Rh1 N8 C63 121.4(17) .
N4 Rh1 N8 C57 110(2) .
N4 Rh1 N8 C63 -63.0(17) .
N1 Rh1 N8 C57 -157(2) .
N1 Rh1 N8 C63 31(2) .
Rh2 Rh1 N6 C39 17.0(17) .
Rh2 Rh1 N6 C45 -150.8(15) .
N8 Rh1 N6 C39 100.4(19) .
N8 Rh1 N6 C45 -67.4(16) .
N2 Rh1 N6 C39 -71.1(18) .
N2 Rh1 N6 C45 121.1(16) .
N1 Rh1 N6 C39 -165(2) .
N1 Rh1 N6 C45 27(2) .
Rh2 Rh1 N4 C21 15.4(17) .
Rh2 Rh1 N4 C27 -144.8(16) .
N8 Rh1 N4 C21 -67.9(18) .
N8 Rh1 N4 C27 131.8(17) .
N2 Rh1 N4 C21 103.5(18) .
N2 Rh1 N4 C27 -56.8(16) .
N1 Rh1 N4 C21 -163(2) .
N1 Rh1 N4 C27 37(2) .
Rh2 Rh1 N2 C3 15.4(18) .
Rh2 Rh1 N2 C9 -147.1(16) .
N6 Rh1 N2 C3 102.4(19) .
N6 Rh1 N2 C9 -60.1(17) .
N4 Rh1 N2 C3 -73(2) .
N4 Rh1 N2 C9 124.3(17) .
N1 Rh1 N2 C3 -167(2) .
N1 Rh1 N2 C9 31(2) .
Rh1 Rh2 N9 C57 17(2) .
Rh1 Rh2 N9 C69 -152.7(19) .
N7 Rh2 N9 C57 105(2) .
N7 Rh2 N9 C69 -65(2) .
N5 Rh2 N9 C57 -71(2) .
N5 Rh2 N9 C69 119(2) .
Rh1 Rh2 N7 C39 19.4(19) .
Rh1 Rh2 N7 C51 -156.9(19) .
N9 Rh2 N7 C39 -69(2) .
N9 Rh2 N7 C51 114(2) .
N3 Rh2 N7 C39 108(2) .
N3 Rh2 N7 C51 -68.5(19) .
Rh1 Rh2 N5 C21 19.1(19) .
Rh1 Rh2 N5 C33 -152.7(16) .
N9 Rh2 N5 C21 108(2) .
N9 Rh2 N5 C33 -63.8(17) .
N3 Rh2 N5 C21 -69(2) .
N3 Rh2 N5 C33 119.1(16) .
Rh1 Rh2 N3 C3 18.2(19) .
Rh1 Rh2 N3 C15 -151.2(17) .
N7 Rh2 N3 C3 -69(2) .
N7 Rh2 N3 C15 121.2(18) .
N5 Rh2 N3 C3 106(2) .
N5 Rh2 N3 C15 -63.0(18) .
N14 Re1 N15 C87 178(2) .
N14 Re1 N15 C83 8.5(15) .
N10 Re1 N15 C87 90(2) .
N10 Re1 N15 C83 -80.0(16) .
C76 Re1 N15 C87 -1(2) .
C76 Re1 N15 C83 -171.1(17) .
C75 Re1 N15 C87 -91(2) .
C75 Re1 N15 C83 99.1(18) .
N15 Re1 N14 C78 173.3(19) .
N15 Re1 N14 C82 -3.7(17) .
N10 Re1 N14 C78 -105.8(18) .
N10 Re1 N14 C82 77.2(18) .
C77 Re1 N14 C78 -13.8(19) .
C77 Re1 N14 C82 169.2(18) .
C75 Re1 N14 C78 76.4(19) .
C75 Re1 N14 C82 -100.6(19) .
N15 Re1 N10 C6 -59(2) .
N15 Re1 N10 C7 118.0(19) .
N14 Re1 N10 C6 -135(2) .
N14 Re1 N10 C7 41.8(19) .
C77 Re1 N10 C6 126(2) .
C77 Re1 N10 C7 -57(2) .
C76 Re1 N10 C6 40(3) .
C76 Re1 N10 C7 -143(2) .
N16 Re2 N17 C100 179(2) .
N16 Re2 N17 C96 5.9(15) .
N11 Re2 N17 C100 95(2) .
N11 Re2 N17 C96 -79.0(16) .
C89 Re2 N17 C100 2(2) .
C89 Re2 N17 C96 -171.3(18) .
C88 Re2 N17 C100 -88(2) .
C88 Re2 N17 C96 98.1(17) .
N17 Re2 N16 C91 -178.8(18) .
N17 Re2 N16 C95 -0.9(18) .
N11 Re2 N16 C91 -94.7(18) .
N11 Re2 N16 C95 83.2(18) .
C90 Re2 N16 C91 -3(2) .
C90 Re2 N16 C95 175(2) .
C88 Re2 N16 C91 85.9(19) .
C88 Re2 N16 C95 -96(2) .
N17 Re2 N11 C25 125(3) .
N17 Re2 N11 C24 -55(2) .
N16 Re2 N11 C25 48(3) .
N16 Re2 N11 C24 -132(2) .
C90 Re2 N11 C25 -49(3) .
C90 Re2 N11 C24 131(3) .
C89 Re2 N11 C25 -134(3) .
C89 Re2 N11 C24 46(3) .
N18 Re3 N19 C113 -174(2) .
N18 Re3 N19 C109 16.1(15) .
N12 Re3 N19 C113 101(2) .
N12 Re3 N19 C109 -69.5(15) .
C102 Re3 N19 C113 11(3) .
C102 Re3 N19 C109 -159(2) .
C101 Re3 N19 C113 -79(3) .
C101 Re3 N19 C109 111(2) .
N19 Re3 N18 C104 174(3) .
N19 Re3 N18 C108 -10(3) .
N12 Re3 N18 C104 -104(2) .
N12 Re3 N18 C108 73(3) .
C103 Re3 N18 C104 -10(3) .
C103 Re3 N18 C108 166(3) .
C101 Re3 N18 C104 80(3) .
C101 Re3 N18 C108 -104(3) .
N19 Re3 N12 C42 -51(2) .
N19 Re3 N12 C43 120(2) .
N18 Re3 N12 C42 -129(3) .
N18 Re3 N12 C43 42(2) .
C103 Re3 N12 C42 137(3) .
C103 Re3 N12 C43 -52(3) .
C102 Re3 N12 C42 51(3) .
C102 Re3 N12 C43 -138(3) .
N20 Re4A N21 C126 -177(7) .
N20 Re4A N21 C122 4(8) .
N13A Re4A N21 C126 -95(6) .
N13A Re4A N21 C122 86(7) .
C116 Re4A N21 C126 -11(7) .
C116 Re4A N21 C122 170(8) .
C114 Re4A N21 C126 83(7) .
C114 Re4A N21 C122 -95(8) .
N21 Re4A N20 C117 179(2) .
N21 Re4A N20 C121 0(7) .
N13A Re4A N20 C117 97(2) .
N13A Re4A N20 C121 -82(6) .
C116 Re4A N20 C117 113(10) .
C116 Re4A N20 C121 -67(13) .
C115 Re4A N20 C117 4(4) .
C115 Re4A N20 C121 -176(7) .
C114 Re4A N20 C117 -87(4) .
C114 Re4A N20 C121 93(7) .
N21 Re4A N13A C61A 41(3) .
N21 Re4A N13A C60A -140(3) .
N20 Re4A N13A C61A 116(3) .
N20 Re4A N13A C60A -64(3) .
C116 Re4A N13A C61A -59(4) .
C116 Re4A N13A C60A 120(4) .
C115 Re4A N13A C61A -146(4) .
C115 Re4A N13A C60A 34(4) .
N30 Re4B N31 C226 -178(3) .
N30 Re4B N31 C222 -3(3) .
N13B Re4B N31 C226 -96(3) .
N13B Re4B N31 C222 79(3) .
C216 Re4B N31 C226 -6(3) .
C216 Re4B N31 C222 169(3) .
C214 Re4B N31 C226 91(3) .
C214 Re4B N31 C222 -94(3) .
N31 Re4B N30 C217 -179(3) .
N31 Re4B N30 C221 3(3) .
N13B Re4B N30 C217 97(2) .
N13B Re4B N30 C221 -82(3) .
C216 Re4B N30 C217 149(7) .
C216 Re4B N30 C221 -29(9) .
C215 Re4B N30 C217 5(3) .
C215 Re4B N30 C221 -174(4) .
C214 Re4B N30 C217 -86(3) .
C214 Re4B N30 C221 96(4) .
N31 Re4B N13B C60B -146.0(18) .
N31 Re4B N13B C61B 34.4(18) .
N30 Re4B N13B C60B -72.4(18) .
N30 Re4B N13B C61B 108.0(18) .
C216 Re4B N13B C60B 119(2) .
C216 Re4B N13B C61B -61(2) .
C215 Re4B N13B C60B 32(2) .
C215 Re4B N13B C61B -147(2) .
N31 Re4B C216 O22 152(24) .
N13B Re4B C216 O22 -126(24) .
C215 Re4B C216 O22 -31(24) .
C214 Re4B C216 O22 59(24) .
N30 Re4B C215 O21 -79(27) .
N13B Re4B C215 O21 -160(27) .
C216 Re4B C215 O21 109(27) .
C214 Re4B C215 O21 13(27) .
F17 P3 F18 N510 -18(10) 3
F16 P3 F18 N510 74(10) 3
F15 P3 F18 N510 -107(10) 3
F14 P3 F18 N510 167(10) 3
Rh1 N2 C9 C10 -70(2) .
Rh1 N2 C9 C14 109(2) .
C3 N2 C9 C10 128(2) .
C3 N2 C9 C14 -52(3) .
Rh1 N2 C3 N3 -6(3) .
Rh1 N2 C3 C4 173.4(16) .
C9 N2 C3 N3 157(2) .
C9 N2 C3 C4 -24(3) .
Rh2 N3 C3 N2 -11(4) .
Rh2 N3 C3 C4 169.7(16) .
C15 N3 C3 N2 157(2) .
C15 N3 C3 C4 -22(4) .
Rh2 N3 C15 C16 109.1(19) .
Rh2 N3 C15 C20 -62(2) .
C3 N3 C15 C16 -60(3) .
C3 N3 C15 C20 129(3) .
Rh1 N4 C27 C28 101.0(19) .
Rh1 N4 C27 C32 -74(2) .
C21 N4 C27 C28 -57(3) .
C21 N4 C27 C32 128(2) .
Rh1 N4 C21 N5 -5(3) .
Rh1 N4 C21 C22 174.5(15) .
C27 N4 C21 N5 154(3) .
C27 N4 C21 C22 -27(3) .
Rh2 N5 C33 C34 -57(2) .
Rh2 N5 C33 C38 122(2) .
C21 N5 C33 C34 131(2) .
C21 N5 C33 C38 -49(4) .
Rh2 N5 C21 N4 -12(4) .
Rh2 N5 C21 C22 168.1(18) .
C33 N5 C21 N4 159(2) .
C33 N5 C21 C22 -20(4) .
Rh1 N6 C45 C46 101.6(18) .
Rh1 N6 C45 C50 -75(2) .
C39 N6 C45 C46 -66(3) .
C39 N6 C45 C50 118(3) .
Rh1 N6 C39 N7 -7(3) .
Rh1 N6 C39 C40 172.2(17) .
C45 N6 C39 N7 160(2) .
C45 N6 C39 C40 -21(3) .
Rh2 N7 C51 C52 -61(3) .
Rh2 N7 C51 C56 111(2) .
C39 N7 C51 C52 123(3) .
C39 N7 C51 C56 -66(3) .
Rh2 N7 C39 N6 -12(3) .
Rh2 N7 C39 C40 169.2(16) .
C51 N7 C39 N6 164(2) .
C51 N7 C39 C40 -15(3) .
Rh1 N8 C63 C64 -64(3) .
Rh1 N8 C63 C68 112(3) .
C57 N8 C63 C64 124(3) .
C57 N8 C63 C68 -59(4) .
Rh1 N8 C57 N9 -15(4) .
Rh1 N8 C57 C58A 176(2) .
Rh1 N8 C57 C58B 175.5(16) .
C63 N8 C57 N9 157(3) .
C63 N8 C57 C58A -13(4) .
C63 N8 C57 C58B -13(4) .
Rh2 N9 C69 C70 -55(3) .
Rh2 N9 C69 C74 115(2) .
C57 N9 C69 C70 135(3) .
C57 N9 C69 C74 -55(4) .
Rh2 N9 C57 N8 -5(4) .
Rh2 N9 C57 C58A 160(3) .
Rh2 N9 C57 C58B 164.9(16) .
C69 N9 C57 N8 165(2) .
C69 N9 C57 C58A -31(5) .
C69 N9 C57 C58B -25(4) .
Re1 N10 C7 C8 -172.8(15) .
C6 N10 C7 C8 4(4) .
Re1 N10 C6 C5 170(2) .
C7 N10 C6 C5 -7(4) .
Re2 N11 C25 C26 -174(2) .
C24 N11 C25 C26 6(5) .
Re2 N11 C24 C23 173(2) .
C25 N11 C24 C23 -7(5) .
Re3 N12 C43 C44 -174(2) .
C42 N12 C43 C44 -1(4) .
Re3 N12 C42 C41 173(2) .
C43 N12 C42 C41 1(4) .
Re4A N13A C61A C62A 180(3) .
C60A N13A C61A C62A 0(4) .
Re4A N13A C60A C59A -178(2) .
C61A N13A C60A C59A 1(4) .
Re4B N13B C61B C62B -175(2) .
C60B N13B C61B C62B 6(3) .
Re4B N13B C60B C59B 174.7(18) .
C61B N13B C60B C59B -6(3) .
Re1 N14 C82 C81 177(2) .
Re1 N14 C82 C83 -1(3) .
C78 N14 C82 C81 0(4) .
C78 N14 C82 C83 -178(2) .
Re1 N14 C78 C79 -175.1(17) .
C82 N14 C78 C79 2(2) .
Re1 N15 C87 C86 -166(3) .
C83 N15 C87 C86 4(4) .
Re1 N15 C83 C84 168.7(18) .
Re1 N15 C83 C82 -11(2) .
C87 N15 C83 C84 -2(2) .
C87 N15 C83 C82 178(3) .
Re2 N16 C95 C94 179(2) .
Re2 N16 C95 C96 -4(3) .
C91 N16 C95 C94 -3(4) .
C91 N16 C95 C96 174(2) .
Re2 N16 C91 C92 179.7(18) .
C95 N16 C91 C92 2(2) .
Re2 N17 C96 C97 173.9(17) .
Re2 N17 C96 C95 -10(2) .
C100 N17 C96 C97 0(2) .
C100 N17 C96 C95 176(2) .
Re2 N17 C100 C99 -175(2) .
C96 N17 C100 C99 -1(4) .
Re3 N18 C108 C107 -173(3) .
Re3 N18 C108 C109 3(4) .
C104 N18 C108 C107 3(5) .
C104 N18 C108 C109 180(3) .
Re3 N18 C104 C105 174(3) .
C108 N18 C104 C105 -1(3) .
Re3 N19 C113 C112 -170(2) .
C109 N19 C113 C112 0(4) .
Re3 N19 C109 C110 171.2(16) .
Re3 N19 C109 C108 -19(3) .
C113 N19 C109 C110 0(2) .
C113 N19 C109 C108 170(3) .
Re4A N20 C121 C122 -3(9) .
Re4A N20 C121 C120 180(6) .
C117 N20 C121 C122 178(4) .
C117 N20 C121 C120 0(7) .
Re4A N20 C117 C118 179(5) .
C121 N20 C117 C118 -2(4) .
Re4A N21 C126 C125 -177(8) .
C122 N21 C126 C125 2(14) .
Re4A N21 C122 C121 -6(10) .
Re4A N21 C122 C123 178(6) .
C126 N21 C122 C121 175(8) .
C126 N21 C122 C123 -1(11) .
Re4B N30 C221 C222 -2(5) .
Re4B N30 C221 C220 175(3) .
C217 N30 C221 C222 179(4) .
C217 N30 C221 C220 -3(5) .
Re4B N30 C217 C218 -175(3) .
C221 N30 C217 C218 3(3) .
Re4B N31 C226 C225 172(4) .
C222 N31 C226 C225 -3(6) .
Re4B N31 C222 C221 3(4) .
Re4B N31 C222 C223 -173(3) .
C226 N31 C222 C221 178(5) .
C226 N31 C222 C223 2(3) .
C5 C4 C8 C7 -5(3) .
C3 C4 C8 C7 175(2) .
C8 C4 C5 C6 3(3) .
C3 C4 C5 C6 -177(2) .
C8 C4 C3 N3 129(3) .
C8 C4 C3 N2 -50(3) .
C5 C4 C3 N3 -51(3) .
C5 C4 C3 N2 130(2) .
C4 C5 C6 N10 3(4) .
N10 C7 C8 C4 1(3) .
N2 C9 C14 C13 -178(2) .
C10 C9 C14 C13 2(3) .
N2 C9 C10 C11 179(2) .
C14 C9 C10 C11 -1.3(19) .
C9 C10 C11 C12 -2(2) .
C10 C11 C12 C13 6(4) .
C11 C12 C13 C14 -5(4) .
C12 C13 C14 C9 1(4) .
N3 C15 C20 C19 172(2) .
C16 C15 C20 C19 0(3) .
N3 C15 C16 C17 -171(2) .
C20 C15 C16 C17 1(2) .
C15 C16 C17 C18 -2(2) .
C16 C17 C18 C19 2(4) .
C17 C18 C19 C20 -1(5) .
C18 C19 C20 C15 0(5) .
C23 C22 C26 C25 10(5) .
C21 C22 C26 C25 174(3) .
C26 C22 C23 C24 -11(5) .
C21 C22 C23 C24 -175(3) .
C26 C22 C21 N5 -49(4) .
C26 C22 C21 N4 131(3) .
C23 C22 C21 N5 115(3) .
C23 C22 C21 N4 -65(3) .
C22 C23 C24 N11 9(5) .
N11 C25 C26 C22 -8(5) .
N4 C27 C32 C31 172(2) .
C28 C27 C32 C31 -2(3) .
N4 C27 C28 C29 -174(2) .
C32 C27 C28 C29 1.1(19) .
C27 C28 C29 C30 1(2) .
C28 C29 C30 C31 -2(3) .
C29 C30 C31 C32 1(4) .
C30 C31 C32 C27 2(4) .
N5 C33 C38 C37 -177(3) .
C34 C33 C38 C37 2(4) .
N5 C33 C34 C35 179(2) .
C38 C33 C34 C35 -1(2) .
C33 C34 C35 C36 -2(2) .
C34 C35 C36 C37 4(4) .
C35 C36 C37 C38 -3(5) .
C36 C37 C38 C33 0(5) .
C41 C40 C44 C43 -5(4) .
C39 C40 C44 C43 177(2) .
C44 C40 C41 C42 5(4) .
C39 C40 C41 C42 -177(2) .
C44 C40 C39 N6 114(3) .
C44 C40 C39 N7 -67(3) .
C41 C40 C39 N6 -64(3) .
C41 C40 C39 N7 115(3) .
C40 C41 C42 N12 -3(4) .
N12 C43 C44 C40 4(5) .
N6 C45 C50 C49 175(2) .
C46 C45 C50 C49 -1(3) .
N6 C45 C46 C47 -175(2) .
C50 C45 C46 C47 1.6(19) .
C45 C46 C47 C48 1(2) .
C46 C47 C48 C49 -3(4) .
C47 C48 C49 C50 4(4) .
C48 C49 C50 C45 -1(4) .
N7 C51 C56 C55 -172(2) .
C52 C51 C56 C55 0(3) .
N7 C51 C52 C53 172(2) .
C56 C51 C52 C53 0(2) .
C51 C52 C53 C54 1(2) .
C52 C53 C54 C55 -2(4) .
C53 C54 C55 C56 2(5) .
C54 C55 C56 C51 -1(4) .
N9 C57 C58B C62B 130(3) .
N9 C57 C58B C59B -54(3) .
N8 C57 C58B C62B -59(3) .
N8 C57 C58B C59B 116(2) .
C58A C57 C58B C62B -61(9) .
C58A C57 C58B C59B 115(9) .
C59A C58A C62A C61A 2(4) .
C57 C58A C62A C61A -176(3) .
C62A C58A C59A C60A -1(2) .
C57 C58A C59A C60A 178(2) .
C62A C58A C57 N9 137(5) .
C62A C58A C57 N8 -56(4) .
C62A C58A C57 C58B 123(9) .
C59A C58A C57 N9 -41(5) .
C59A C58A C57 N8 126(3) .
C59A C58A C57 C58B -55(8) .
C59B C58B C62B C61B 0(3) .
C57 C58B C62B C61B 176(2) .
C62B C58B C59B C60B 0(2) .
C57 C58B C59B C60B -175(2) .
C58A C59A C60A N13A -1(4) .
C58B C59B C60B N13B 3(3) .
N13A C61A C62A C58A -2(5) .
N13B C61B C62B C58B -3(4) .
N8 C63 C68 C67 178(3) .
C64 C63 C68 C67 -5(4) .
N8 C63 C64 C65 179(3) .
C68 C63 C64 C65 2(2) .
C63 C64 C65 C66 3(2) .
C64 C65 C66 C67 -5(5) .
C65 C66 C67 C68 2(6) .
C66 C67 C68 C63 3(5) .
N9 C69 C74 C73 -168(3) .
C70 C69 C74 C73 3(4) .
N9 C69 C70 C71 168(3) .
C74 C69 C70 C71 -2(2) .
C69 C70 C71 C72 -1(2) .
C70 C71 C72 C73 5(4) .
C71 C72 C73 C74 -5(5) .
C72 C73 C74 C69 1(5) .
N14 C78 C79 C80 2(2) .
C78 C79 C80 C81 -7(4) .
C79 C80 C81 C82 9(5) .
C80 C81 C82 N14 -5(4) .
C80 C81 C82 C83 173(3) .
N14 C82 C83 C84 -172(2) .
N14 C82 C83 N15 8(3) .
C81 C82 C83 C84 10(4) .
C81 C82 C83 N15 -170(2) .
N15 C83 C84 C85 -1(3) .
C82 C83 C84 C85 179(3) .
C83 C84 C85 C86 3(5) .
C84 C85 C86 C87 -1(5) .
C85 C86 C87 N15 -3(5) .
N16 C91 C92 C93 1(2) .
C91 C92 C93 C94 -3(5) .
C92 C93 C94 C95 1(5) .
C93 C94 C95 N16 2(4) .
C93 C94 C95 C96 -176(3) .
N16 C95 C96 C97 -175(2) .
N16 C95 C96 N17 9(3) .
C94 C95 C96 C97 3(4) .
C94 C95 C96 N17 -174(2) .
N17 C96 C97 C98 0(3) .
C95 C96 C97 C98 -177(3) .
C96 C97 C98 C99 2(5) .
C97 C98 C99 C100 -3(5) .
C98 C99 C100 N17 3(5) .
N18 C104 C105 C106 -4(3) .
C104 C105 C106 C107 8(6) .
C105 C106 C107 C108 -7(8) .
C106 C107 C108 N18 1(6) .
C106 C107 C108 C109 -175(4) .
N18 C108 C109 C110 180(3) .
N18 C108 C109 N19 10(5) .
C107 C108 C109 C110 -4(5) .
C107 C108 C109 N19 -173(4) .
N19 C109 C110 C111 1(3) .
C108 C109 C110 C111 -168(3) .
C109 C110 C111 C112 -2(5) .
C110 C111 C112 C113 2(5) .
C111 C112 C113 N19 0(5) .
N20 C117 C118 C119 1(4) .
C117 C118 C119 C120 1(8) .
C118 C119 C120 C121 -2(11) .
C119 C120 C121 N20 2(10) .
C119 C120 C121 C122 -175(9) .
N20 C121 C122 N21 5(9) .
N20 C121 C122 C123 180(8) .
C120 C121 C122 N21 -178(9) .
C120 C121 C122 C123 -4(17) .
N21 C122 C123 C124 -3(11) .
C121 C122 C123 C124 -178(9) .
C122 C123 C124 C125 6(12) .
C123 C124 C125 C126 -4(11) .
C124 C125 C126 N21 0(13) .
N30 C217 C218 C219 5(3) .
C217 C218 C219 C220 -13(6) .
C218 C219 C220 C221 14(8) .
C219 C220 C221 N30 -5(7) .
C219 C220 C221 C222 171(6) .
N30 C221 C222 N31 0(6) .
N30 C221 C222 C223 174(4) .
C220 C221 C222 N31 -176(5) .
C220 C221 C222 C223 -2(10) .
N31 C222 C223 C224 4(3) .
C221 C222 C223 C224 -170(7) .
C222 C223 C224 C225 -8(5) .
C223 C224 C225 C226 6(6) .
C224 C225 C226 N31 -1(7) .
