#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/19/4311929.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_4311929
loop_
_publ_author_name
'Reto Dorta'
'Romano Dorta'
'Linda J. W. Shimon'
'David Milstein'
_publ_section_title
;
 New Ligand Systems Incorporating Two and Three 4,4'-Bipyridine Units.
 Characterization of Bi- and Trimetallic Rhodium and Iridium Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7180
_journal_page_last               7186
_journal_paper_doi               10.1021/ic049285x
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C60 H53 B2 F8 N5 O2 Rh2'
_chemical_formula_weight         1255.51
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 98.96(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.237(2)
_cell_length_b                   16.728(3)
_cell_length_c                   25.783(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.0
_cell_measurement_theta_min      4.0
_cell_volume                     5213.4(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            7257
_diffrn_reflns_theta_full        23.24
_diffrn_reflns_theta_max         23.24
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    0.713
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2544
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.591
_refine_diff_density_min         -0.667
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     700
_refine_ls_number_reflns         7257
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0413P)²+26.6254P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1141
_refine_ls_wR_factor_ref         0.1235
_reflns_number_gt                5748
_reflns_number_total             7257
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049285xsi20040601_011027.cif
_cod_data_source_block           m138_3
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        5213.4(16)
_cod_database_code               4311929
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.84285(4) 0.67539(3) 0.238517(19) 0.02570(15) Uani 1 1 d . . .
Rh2 Rh 1.24161(4) 0.81438(3) 0.059251(18) 0.02695(15) Uani 1 1 d . . .
C11 C 0.7144(5) 0.7150(4) 0.1787(3) 0.0337(15) Uani 1 1 d . . .
H11A H 0.6983 0.7704 0.1714 0.080 Uiso 1 1 d R . .
C12 C 0.7389(5) 0.6553(4) 0.1366(2) 0.0335(15) Uani 1 1 d . . .
H12 H 0.7514 0.6773 0.1028 0.040 Uiso 1 1 calc R . .
C13 C 0.8344(5) 0.6085(4) 0.1687(2) 0.0334(15) Uani 1 1 d . . .
H13A H 0.8988 0.5920 0.1545 0.080 Uiso 1 1 d R . .
C14 C 0.7882(5) 0.5637(3) 0.2046(2) 0.0284(14) Uani 1 1 d . . .
H14A H 0.8172 0.5133 0.2182 0.080 Uiso 1 1 d R . .
C15 C 0.6634(5) 0.5839(4) 0.1958(2) 0.0328(15) Uani 1 1 d . . .
H15 H 0.6139 0.5472 0.2105 0.039 Uiso 1 1 calc R . .
C16 C 0.6685(5) 0.6707(4) 0.2152(2) 0.0333(15) Uani 1 1 d . . .
H16A H 0.6168 0.6923 0.2359 0.080 Uiso 1 1 d R . .
C17 C 0.6431(5) 0.5967(4) 0.1362(2) 0.0339(15) Uani 1 1 d . . .
H17A H 0.6524 0.5483 0.1167 0.041 Uiso 1 1 calc R . .
H17B H 0.5716 0.6207 0.1237 0.041 Uiso 1 1 calc R . .
C21 C 1.3547(5) 0.9045(3) 0.0907(3) 0.0344(15) Uani 1 1 d . . .
H21A H 1.4250 0.8930 0.1115 0.080 Uiso 1 1 d R . .
C22 C 1.2517(5) 0.9092(3) 0.0054(2) 0.0348(15) Uani 1 1 d . . .
H22A H 1.2527 0.9008 -0.0313 0.080 Uiso 1 1 d R . .
C23 C 1.1840(6) 0.9712(4) 0.0758(3) 0.0384(16) Uani 1 1 d . . .
H23 H 1.1229 0.9966 0.0900 0.046 Uiso 1 1 calc R . .
C24 C 1.2591(5) 0.9137(3) 0.1118(2) 0.0320(15) Uani 1 1 d . . .
H24A H 1.2560 0.9086 0.1487 0.080 Uiso 1 1 d R . .
C25 C 1.1546(5) 0.9177(3) 0.0268(2) 0.0340(15) Uani 1 1 d . . .
H25A H 1.0820 0.9157 0.0065 0.080 Uiso 1 1 d R . .
C26 C 1.3422(5) 0.9567(4) 0.0409(2) 0.0360(15) Uani 1 1 d . . .
H26 H 1.4095 0.9703 0.0266 0.043 Uiso 1 1 calc R . .
C27 C 1.2728(6) 1.0264(4) 0.0580(3) 0.0419(17) Uani 1 1 d . . .
H27A H 1.2431 1.0611 0.0291 0.050 Uiso 1 1 calc R . .
H27B H 1.3126 1.0576 0.0866 0.050 Uiso 1 1 calc R . .
N5 N 0.8643(4) 0.7675(3) 0.29373(19) 0.0270(11) Uani 1 1 d . . .
C51 C 0.7863(5) 0.8186(3) 0.3049(2) 0.0290(14) Uani 1 1 d . . .
H51 H 0.7206 0.8229 0.2814 0.035 Uiso 1 1 calc R . .
C52 C 0.7999(5) 0.8648(3) 0.3496(2) 0.0322(15) Uani 1 1 d . . .
H52 H 0.7439 0.8994 0.3558 0.039 Uiso 1 1 calc R . .
C53 C 0.8969(5) 0.8601(4) 0.3855(2) 0.0318(14) Uani 1 1 d . . .
C54 C 0.9791(5) 0.8100(3) 0.3722(2) 0.0280(14) Uani 1 1 d . . .
H54 H 1.0468 0.8070 0.3943 0.034 Uiso 1 1 calc R . .
C55 C 0.9626(4) 0.7647(3) 0.3272(2) 0.0251(13) Uani 1 1 d . . .
C56 C 0.9143(6) 0.9041(4) 0.4373(3) 0.0453(18) Uani 1 1 d . . .
H56A H 0.9214 0.8661 0.4656 0.068 Uiso 1 1 calc R . .
H56B H 0.8520 0.9383 0.4393 0.068 Uiso 1 1 calc R . .
H56C H 0.9803 0.9357 0.4400 0.068 Uiso 1 1 calc R . .
N6 N 1.0038(4) 0.6538(3) 0.27492(18) 0.0238(11) Uani 1 1 d . . .
C61 C 1.0438(4) 0.7065(3) 0.3130(2) 0.0218(12) Uani 1 1 d . . .
C62 C 1.1534(5) 0.7055(3) 0.3367(2) 0.0252(13) Uani 1 1 d . . .
H62 H 1.1788 0.7424 0.3628 0.030 Uiso 1 1 calc R . .
C63 C 1.2255(4) 0.6488(3) 0.3211(2) 0.0239(13) Uani 1 1 d . . .
C64 C 1.1829(5) 0.5920(3) 0.2843(2) 0.0266(13) Uani 1 1 d . . .
H64 H 1.2278 0.5514 0.2747 0.032 Uiso 1 1 calc R . .
C65 C 1.0726(4) 0.5965(3) 0.2620(2) 0.0237(13) Uani 1 1 d . . .
H65 H 1.0447 0.5585 0.2371 0.028 Uiso 1 1 calc R . .
N7 N 1.1744(4) 0.7230(3) 0.00977(18) 0.0265(11) Uani 1 1 d . . .
C71 C 1.1088(5) 0.7328(4) -0.0363(2) 0.0318(15) Uani 1 1 d . . .
H71 H 1.0944 0.7845 -0.0487 0.038 Uiso 1 1 calc R . .
C72 C 1.0615(5) 0.6698(4) -0.0664(2) 0.0352(15) Uani 1 1 d . . .
H72 H 1.0150 0.6793 -0.0980 0.042 Uiso 1 1 calc R . .
C73 C 1.0840(5) 0.5925(3) -0.0491(2) 0.0285(14) Uani 1 1 d . . .
C74 C 1.1517(5) 0.5822(3) -0.0011(2) 0.0282(14) Uani 1 1 d . . .
H74 H 1.1681 0.5309 0.0118 0.034 Uiso 1 1 calc R . .
C75 C 1.1950(4) 0.6478(3) 0.0275(2) 0.0236(13) Uani 1 1 d . . .
C76 C 1.0342(6) 0.5221(4) -0.0807(2) 0.0393(16) Uani 1 1 d . . .
H76A H 0.9553 0.5281 -0.0880 0.059 Uiso 1 1 calc R . .
H76B H 1.0522 0.4737 -0.0612 0.059 Uiso 1 1 calc R . .
H76C H 1.0633 0.5195 -0.1132 0.059 Uiso 1 1 calc R . .
N8 N 1.2948(4) 0.7131(3) 0.10424(17) 0.0237(11) Uani 1 1 d . . .
C81 C 1.2613(4) 0.6423(3) 0.0804(2) 0.0240(13) Uani 1 1 d . . .
C82 C 1.2822(4) 0.5705(3) 0.1066(2) 0.0252(13) Uani 1 1 d . . .
H82 H 1.2599 0.5229 0.0896 0.030 Uiso 1 1 calc R . .
C83 C 1.3366(4) 0.5686(3) 0.1587(2) 0.0256(13) Uani 1 1 d . . .
C84 C 1.3700(4) 0.6411(3) 0.1820(2) 0.0257(13) Uani 1 1 d . . .
H84 H 1.4068 0.6426 0.2164 0.031 Uiso 1 1 calc R . .
C85 C 1.3482(4) 0.7113(3) 0.1538(2) 0.0253(13) Uani 1 1 d . . .
H85 H 1.3717 0.7594 0.1699 0.030 Uiso 1 1 calc R . .
C3 C 1.3493(5) 0.4894(4) 0.1849(2) 0.0318(15) Uani 1 1 d . . .
H3A H 1.2771 0.4689 0.1892 0.038 Uiso 1 1 calc R . .
H3B H 1.3827 0.4521 0.1632 0.038 Uiso 1 1 calc R . .
O3 O 1.4171(3) 0.4964(2) 0.23505(14) 0.0254(9) Uani 1 1 d . . .
C30 C 1.4249(4) 0.4305(3) 0.2672(2) 0.0227(13) Uani 1 1 d . . .
C31 C 1.3637(4) 0.3599(3) 0.2546(2) 0.0262(13) Uani 1 1 d . . .
H31 H 1.3150 0.3564 0.2232 0.031 Uiso 1 1 calc R . .
C32 C 1.3761(4) 0.2968(3) 0.2884(2) 0.0272(14) Uani 1 1 d . . .
H32 H 1.3356 0.2503 0.2795 0.033 Uiso 1 1 calc R . .
C33 C 1.4487(4) 0.3003(3) 0.3364(2) 0.0254(13) Uani 1 1 d . . .
C34 C 1.4621(5) 0.2347(3) 0.3714(2) 0.0298(14) Uani 1 1 d . . .
H34 H 1.4245 0.1873 0.3618 0.036 Uiso 1 1 calc R . .
C35 C 1.5293(5) 0.2395(4) 0.4190(3) 0.0364(16) Uani 1 1 d . . .
H35 H 1.5379 0.1956 0.4415 0.044 Uiso 1 1 calc R . .
C36 C 1.5851(5) 0.3113(4) 0.4335(2) 0.0325(15) Uani 1 1 d . . .
H36 H 1.6299 0.3151 0.4660 0.039 Uiso 1 1 calc R . .
C37 C 1.5747(5) 0.3754(3) 0.4008(2) 0.0294(14) Uani 1 1 d . . .
H37 H 1.6120 0.4225 0.4115 0.035 Uiso 1 1 calc R . .
C38 C 1.5073(4) 0.3718(3) 0.3500(2) 0.0228(13) Uani 1 1 d . . .
C39 C 1.4967(4) 0.4378(3) 0.3147(2) 0.0203(12) Uani 1 1 d . . .
C4 C 1.3466(5) 0.6545(3) 0.3427(2) 0.0283(14) Uani 1 1 d . . .
H4A H 1.3786 0.7008 0.3282 0.034 Uiso 1 1 calc R . .
H4B H 1.3564 0.6604 0.3806 0.034 Uiso 1 1 calc R . .
O4 O 1.4005(3) 0.5840(2) 0.32942(15) 0.0237(9) Uani 1 1 d . . .
C40 C 1.5144(4) 0.5832(3) 0.3363(2) 0.0199(12) Uani 1 1 d . . .
C41 C 1.5779(5) 0.6512(3) 0.3526(2) 0.0260(13) Uani 1 1 d . . .
H41 H 1.5431 0.6994 0.3575 0.031 Uiso 1 1 calc R . .
C42 C 1.6910(5) 0.6465(3) 0.3613(2) 0.0258(13) Uani 1 1 d . . .
H42 H 1.7324 0.6910 0.3740 0.031 Uiso 1 1 calc R . .
C43 C 1.7459(4) 0.5751(3) 0.3511(2) 0.0223(13) Uani 1 1 d . . .
C44 C 1.8628(5) 0.5702(4) 0.3584(2) 0.0299(14) Uani 1 1 d . . .
H44 H 1.9054 0.6132 0.3727 0.036 Uiso 1 1 calc R . .
C45 C 1.9127(5) 0.5026(4) 0.3446(2) 0.0335(15) Uani 1 1 d . . .
H45 H 1.9896 0.5000 0.3493 0.040 Uiso 1 1 calc R . .
C46 C 1.8502(5) 0.4368(4) 0.3233(2) 0.0312(15) Uani 1 1 d . . .
H46 H 1.8855 0.3918 0.3128 0.037 Uiso 1 1 calc R . .
C47 C 1.7377(4) 0.4387(3) 0.3182(2) 0.0243(13) Uani 1 1 d . . .
H47 H 1.6971 0.3941 0.3052 0.029 Uiso 1 1 calc R . .
C48 C 1.6811(4) 0.5081(3) 0.3325(2) 0.0215(12) Uani 1 1 d . . .
C49 C 1.5631(4) 0.5111(3) 0.3274(2) 0.0211(12) Uani 1 1 d . . .
B1 B 1.0470(5) 0.3658(4) 0.2254(3) 0.0253(15) Uani 1 1 d . . .
F1 F 0.9516(3) 0.4056(3) 0.20364(16) 0.0570(11) Uani 1 1 d . . .
F2 F 1.1026(4) 0.4035(3) 0.2662(2) 0.0842(17) Uani 1 1 d . . .
F3 F 1.1081(4) 0.3480(3) 0.18606(18) 0.0772(15) Uani 1 1 d . . .
F4 F 1.0139(5) 0.2928(3) 0.2426(2) 0.0958(19) Uani 1 1 d . . .
B2 B 1.2625(7) 0.8453(5) 0.4631(3) 0.043(2) Uani 1 1 d . . .
F5 F 1.3501(3) 0.8867(2) 0.48884(16) 0.0537(11) Uani 1 1 d . . .
F6 F 1.2267(4) 0.8805(2) 0.41504(17) 0.0728(15) Uani 1 1 d . . .
F7 F 1.2920(5) 0.7676(2) 0.45435(18) 0.0874(18) Uani 1 1 d . . .
F8 F 1.1792(5) 0.8420(4) 0.4914(2) 0.112(2) Uani 1 1 d . . .
C100 C 0.3993(8) 0.1873(6) -0.0475(4) 0.088(3) Uiso 1 1 d . . .
H10A H 0.4287 0.2222 -0.0715 0.132 Uiso 1 1 calc R . .
H10B H 0.3290 0.2073 -0.0412 0.132 Uiso 1 1 calc R . .
H10C H 0.3901 0.1347 -0.0623 0.132 Uiso 1 1 calc R . .
C101 C 0.4715(7) 0.1843(5) -0.0006(4) 0.063(2) Uiso 1 1 d . . .
N102 N 0.5432(9) 0.1873(7) 0.0351(4) 0.127(4) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
N6 Rh1 N5 79.05(18) . . ?
N6 Rh1 C13 102.1(2) . . ?
N5 Rh1 C13 163.5(2) . . ?
N6 Rh1 C14 104.4(2) . . ?
N5 Rh1 C14 158.1(2) . . ?
C13 Rh1 C14 38.0(2) . . ?
N6 Rh1 C16 163.8(2) . . ?
N5 Rh1 C16 103.6(2) . . ?
C13 Rh1 C16 79.9(2) . . ?
C14 Rh1 C16 67.3(2) . . ?
N6 Rh1 C11 157.3(2) . . ?
N5 Rh1 C11 105.4(2) . . ?
C13 Rh1 C11 67.3(2) . . ?
C14 Rh1 C11 80.0(2) . . ?
C16 Rh1 C11 37.9(2) . . ?
N7 Rh2 N8 78.72(17) . . ?
N7 Rh2 C21 158.5(2) . . ?
N8 Rh2 C21 103.6(2) . . ?
N7 Rh2 C22 101.9(2) . . ?
N8 Rh2 C22 156.8(2) . . ?
C21 Rh2 C22 67.5(2) . . ?
N7 Rh2 C25 103.3(2) . . ?
N8 Rh2 C25 164.7(2) . . ?
C21 Rh2 C25 80.2(2) . . ?
C22 Rh2 C25 38.2(2) . . ?
N7 Rh2 C24 162.6(2) . . ?
N8 Rh2 C24 106.6(2) . . ?
C21 Rh2 C24 37.7(2) . . ?
C22 Rh2 C24 79.8(2) . . ?
C25 Rh2 C24 67.2(2) . . ?
C16 C11 C12 106.0(5) . . ?
C16 C11 Rh1 70.9(3) . . ?
C12 C11 Rh1 96.0(4) . . ?
C17 C12 C13 101.3(5) . . ?
C17 C12 C11 100.8(5) . . ?
C13 C12 C11 99.6(5) . . ?
C14 C13 C12 106.3(5) . . ?
C14 C13 Rh1 71.7(3) . . ?
C12 C13 Rh1 97.0(4) . . ?
C13 C14 C15 106.4(5) . . ?
C13 C14 Rh1 70.3(3) . . ?
C15 C14 Rh1 96.3(4) . . ?
C17 C15 C16 100.7(5) . . ?
C17 C15 C14 100.4(5) . . ?
C16 C15 C14 99.7(4) . . ?
C11 C16 C15 106.6(5) . . ?
C11 C16 Rh1 71.2(3) . . ?
C15 C16 Rh1 96.6(4) . . ?
C12 C17 C15 94.4(5) . . ?
C24 C21 C26 106.7(5) . . ?
C24 C21 Rh2 71.7(3) . . ?
C26 C21 Rh2 96.3(4) . . ?
C25 C22 C26 106.9(5) . . ?
C25 C22 Rh2 71.2(3) . . ?
C26 C22 Rh2 96.2(4) . . ?
C24 C23 C25 100.0(5) . . ?
C24 C23 C27 99.9(5) . . ?
C25 C23 C27 100.9(5) . . ?
C21 C24 C23 107.1(5) . . ?
C21 C24 Rh2 70.6(3) . . ?
C23 C24 Rh2 96.4(4) . . ?
C22 C25 C23 106.2(5) . . ?
C22 C25 Rh2 70.6(3) . . ?
C23 C25 Rh2 96.4(4) . . ?
C21 C26 C22 99.8(5) . . ?
C21 C26 C27 100.2(5) . . ?
C22 C26 C27 100.5(5) . . ?
C26 C27 C23 94.4(5) . . ?
C51 N5 C55 118.0(5) . . ?
C51 N5 Rh1 126.6(4) . . ?
C55 N5 Rh1 114.3(4) . . ?
N5 C51 C52 122.5(5) . . ?
C51 C52 C53 120.5(6) . . ?
C52 C53 C54 116.4(6) . . ?
C52 C53 C56 123.4(6) . . ?
C54 C53 C56 120.2(5) . . ?
C55 C54 C53 121.5(5) . . ?
N5 C55 C54 121.0(5) . . ?
N5 C55 C61 115.2(5) . . ?
C54 C55 C61 123.7(5) . . ?
C65 N6 C61 118.2(5) . . ?
C65 N6 Rh1 126.5(4) . . ?
C61 N6 Rh1 115.1(3) . . ?
N6 C61 C62 121.8(5) . . ?
N6 C61 C55 115.3(5) . . ?
C62 C61 C55 122.8(5) . . ?
C61 C62 C63 119.6(5) . . ?
C64 C63 C62 118.4(5) . . ?
C64 C63 C4 122.7(5) . . ?
C62 C63 C4 118.8(5) . . ?
C65 C64 C63 119.0(5) . . ?
N6 C65 C64 122.7(5) . . ?
C71 N7 C75 118.1(5) . . ?
C71 N7 Rh2 125.5(4) . . ?
C75 N7 Rh2 116.3(4) . . ?
N7 C71 C72 123.1(5) . . ?
C71 C72 C73 119.1(5) . . ?
C72 C73 C74 117.8(5) . . ?
C72 C73 C76 120.9(5) . . ?
C74 C73 C76 121.4(5) . . ?
C75 C74 C73 120.2(5) . . ?
N7 C75 C74 121.6(5) . . ?
N7 C75 C81 114.7(5) . . ?
C74 C75 C81 123.6(5) . . ?
C85 N8 C81 118.4(5) . . ?
C85 N8 Rh2 127.4(4) . . ?
C81 N8 Rh2 113.9(3) . . ?
N8 C81 C82 120.8(5) . . ?
N8 C81 C75 116.4(5) . . ?
C82 C81 C75 122.6(5) . . ?
C81 C82 C83 120.8(5) . . ?
C84 C83 C82 117.2(5) . . ?
C84 C83 C3 125.6(5) . . ?
C82 C83 C3 117.1(5) . . ?
C85 C84 C83 119.7(5) . . ?
N8 C85 C84 123.0(5) . . ?
O3 C3 C83 110.1(5) . . ?
C30 O3 C3 117.2(4) . . ?
O3 C30 C39 115.8(5) . . ?
O3 C30 C31 123.3(5) . . ?
C39 C30 C31 120.9(5) . . ?
C32 C31 C30 120.1(5) . . ?
C31 C32 C33 121.4(5) . . ?
C32 C33 C38 118.7(5) . . ?
C32 C33 C34 121.6(5) . . ?
C38 C33 C34 119.8(5) . . ?
C35 C34 C33 121.4(6) . . ?
C34 C35 C36 119.1(6) . . ?
C37 C36 C35 121.1(6) . . ?
C36 C37 C38 121.2(6) . . ?
C33 C38 C39 120.5(5) . . ?
C33 C38 C37 117.3(5) . . ?
C39 C38 C37 122.2(5) . . ?
C30 C39 C38 118.4(5) . . ?
C30 C39 C49 120.9(5) . . ?
C38 C39 C49 120.6(5) . . ?
O4 C4 C63 109.1(4) . . ?
C40 O4 C4 118.5(4) . . ?
O4 C40 C49 116.2(5) . . ?
O4 C40 C41 122.1(5) . . ?
C49 C40 C41 121.7(5) . . ?
C42 C41 C40 120.0(5) . . ?
C41 C42 C43 120.9(5) . . ?
C48 C43 C42 118.4(5) . . ?
C48 C43 C44 120.0(5) . . ?
C42 C43 C44 121.6(5) . . ?
C45 C44 C43 120.0(5) . . ?
C44 C45 C46 121.0(5) . . ?
C47 C46 C45 120.1(6) . . ?
C46 C47 C48 121.1(5) . . ?
C43 C48 C47 117.6(5) . . ?
C43 C48 C49 120.5(5) . . ?
C47 C48 C49 121.9(5) . . ?
C40 C49 C48 118.1(5) . . ?
C40 C49 C39 121.6(5) . . ?
C48 C49 C39 120.2(5) . . ?
F2 B1 F4 107.8(6) . . ?
F2 B1 F3 114.6(6) . . ?
F4 B1 F3 105.3(6) . . ?
F2 B1 F1 113.0(5) . . ?
F4 B1 F1 106.5(5) . . ?
F3 B1 F1 109.0(5) . . ?
F8 B2 F5 111.2(7) . . ?
F8 B2 F7 106.9(7) . . ?
F5 B2 F7 110.8(6) . . ?
F8 B2 F6 110.0(7) . . ?
F5 B2 F6 109.7(6) . . ?
F7 B2 F6 108.2(7) . . ?
N102 C101 C100 170.2(11) . . ?
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 N6 2.077(4) . ?
Rh1 N5 2.086(5) . ?
Rh1 C13 2.107(6) . ?
Rh1 C14 2.125(5) . ?
Rh1 C16 2.125(6) . ?
Rh1 C11 2.130(6) . ?
Rh2 N7 2.077(4) . ?
Rh2 N8 2.098(5) . ?
Rh2 C21 2.121(6) . ?
Rh2 C22 2.123(6) . ?
Rh2 C25 2.131(6) . ?
Rh2 C24 2.134(6) . ?
C11 C16 1.384(9) . ?
C11 C12 1.537(9) . ?
C12 C17 1.527(8) . ?
C12 C13 1.537(8) . ?
C13 C14 1.378(9) . ?
C14 C15 1.545(8) . ?
C15 C17 1.533(8) . ?
C15 C16 1.534(9) . ?
C21 C24 1.374(9) . ?
C21 C26 1.542(9) . ?
C22 C25 1.393(9) . ?
C22 C26 1.542(9) . ?
C23 C24 1.539(9) . ?
C23 C25 1.543(9) . ?
C23 C27 1.548(9) . ?
C26 C27 1.546(9) . ?
N5 C51 1.346(7) . ?
N5 C55 1.367(7) . ?
C51 C52 1.377(8) . ?
C52 C53 1.389(8) . ?
C53 C54 1.394(8) . ?
C53 C56 1.510(8) . ?
C54 C55 1.375(8) . ?
C55 C61 1.477(8) . ?
N6 C65 1.352(7) . ?
N6 C61 1.353(7) . ?
C61 C62 1.384(8) . ?
C62 C63 1.396(8) . ?
C63 C64 1.387(8) . ?
C63 C4 1.503(8) . ?
C64 C65 1.384(8) . ?
N7 C71 1.337(7) . ?
N7 C75 1.348(7) . ?
C71 C72 1.382(8) . ?
C72 C73 1.382(8) . ?
C73 C74 1.388(8) . ?
C73 C76 1.507(8) . ?
C74 C75 1.382(8) . ?
C75 C81 1.477(8) . ?
N8 C85 1.342(7) . ?
N8 C81 1.368(7) . ?
C81 C82 1.383(8) . ?
C82 C83 1.403(8) . ?
C83 C84 1.386(8) . ?
C83 C3 1.483(8) . ?
C84 C85 1.385(8) . ?
C3 O3 1.429(6) . ?
O3 C30 1.374(6) . ?
C30 C39 1.397(8) . ?
C30 C31 1.409(8) . ?
C31 C32 1.362(8) . ?
C32 C33 1.409(8) . ?
C33 C38 1.411(8) . ?
C33 C34 1.412(8) . ?
C34 C35 1.370(9) . ?
C35 C36 1.404(9) . ?
C36 C37 1.357(8) . ?
C37 C38 1.437(8) . ?
C38 C39 1.423(8) . ?
C39 C49 1.480(7) . ?
C4 O4 1.418(6) . ?
O4 C40 1.378(6) . ?
C40 C49 1.379(7) . ?
C40 C41 1.404(8) . ?
C41 C42 1.370(8) . ?
C42 C43 1.414(8) . ?
C43 C48 1.413(8) . ?
C43 C44 1.416(8) . ?
C44 C45 1.358(9) . ?
C45 C46 1.403(8) . ?
C46 C47 1.362(8) . ?
C47 C48 1.429(8) . ?
C48 C49 1.431(7) . ?
B1 F2 1.321(7) . ?
B1 F4 1.382(8) . ?
B1 F3 1.383(8) . ?
B1 F1 1.384(7) . ?
B2 F8 1.345(10) . ?
B2 F5 1.360(8) . ?
B2 F7 1.377(9) . ?
B2 F6 1.380(9) . ?
C100 C101 1.383(12) . ?
C101 N102 1.170(12) . ?
