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#$Date: 2021-07-06 12:14:15 +0300 (Tue, 06 Jul 2021) $
#$Revision: 267294 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/39/1563985.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_1563985
loop_
_publ_author_name
'Zhang, Nan'
'Zhu, Di'
'Herbert, David E.'
'van Leest, Nicolaas P.'
'de Bruin, Bas'
'Budzelaar, Peter H.M.'
_publ_section_title
;
 Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              709
_journal_page_last               716
_journal_paper_doi               10.1016/j.ica.2018.06.015
_journal_volume                  482
_journal_year                    2018
_chemical_formula_moiety         'C54 H60 N6 Rh2'
_chemical_formula_sum            'C54 H60 N6 Rh2'
_chemical_formula_weight         998.90
_chemical_properties_physical    'air-sensitive, moisture-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                105.535(2)
_cell_angle_beta                 95.911(3)
_cell_angle_gamma                104.176(2)
_cell_formula_units_Z            2
_cell_length_a                   12.6337(8)
_cell_length_b                   14.9235(10)
_cell_length_c                   15.3789(10)
_cell_measurement_reflns_used    9921
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.2005
_cell_measurement_theta_min      2.4445
_cell_volume                     2664.1(3)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 QUEST ECO CMOS'
_diffrn_measurement_method       'Bruker D8 QUEST ECO CMOS'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0110
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            115370
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.498
_diffrn_reflns_theta_min         2.274
_diffrn_source                   'fine-focus tube'
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.7075
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             1032
_exptl_crystal_recrystallization_method pentane
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.763
_refine_diff_density_min         -0.498
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.170
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     575
_refine_ls_number_reflns         9909
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0170P)²+4.5186P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0710
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8687
_reflns_number_total             9909
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2018-482-709.cif
_cod_data_source_block           complex_6c
_cod_database_code               1563985
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.853
_shelx_estimated_absorpt_t_max   0.908
_exptl_absorpt_special_details   'SADABS V2014/5 (Bruker AXS Inc.)'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh2 Rh 0.28028(2) 0.47686(2) 0.17494(2) 0.01915(5) Uani 1 1 d . . . . .
Rh1 Rh 0.30590(2) 0.25269(2) 0.38002(2) 0.02193(6) Uani 1 1 d . . . . .
N1 N 0.1987(2) 0.26167(16) 0.46856(16) 0.0331(5) Uani 1 1 d . . . . .
N2 N 0.23153(19) 0.10751(15) 0.32734(15) 0.0272(5) Uani 1 1 d . . . . .
N3 N 0.24596(18) 0.60537(15) 0.20039(14) 0.0240(4) Uani 1 1 d . . . . .
N4 N 0.21038(17) 0.44173(14) 0.04126(14) 0.0224(4) Uani 1 1 d . . . . .
N5 N 0.32122(18) 0.49012(15) 0.30669(15) 0.0233(4) Uani 1 1 d . . . . .
H5 H 0.316(3) 0.538(2) 0.349(2) 0.035(8) Uiso 1 1 d . . . . .
N6 N 0.34480(17) 0.36260(14) 0.17032(13) 0.0208(4) Uani 1 1 d . . . . .
C11 C 0.0529(4) 0.2113(3) 0.5542(3) 0.0655(12) Uani 1 1 d . . . . .
H111 H 0.099384 0.233920 0.615284 0.098 Uiso 1 1 calc R U . . .
H112 H -0.006182 0.152507 0.548758 0.098 Uiso 1 1 calc R U . . .
H113 H 0.019855 0.261902 0.545442 0.098 Uiso 1 1 calc R U . . .
C12 C 0.1237(3) 0.1888(2) 0.4815(2) 0.0444(8) Uani 1 1 d . . . . .
C13 C 0.1049(3) 0.0918(2) 0.4317(2) 0.0473(8) Uani 1 1 d . . . . .
H13 H 0.052205 0.045958 0.449583 0.057 Uiso 1 1 calc R U . . .
C14 C 0.1541(3) 0.0539(2) 0.3588(2) 0.0367(7) Uani 1 1 d . . . . .
C15 C 0.1146(3) -0.0550(2) 0.3148(2) 0.0480(8) Uani 1 1 d . . . . .
H151 H 0.101709 -0.069889 0.247884 0.072 Uiso 1 1 calc R U . . .
H152 H 0.045354 -0.081567 0.334288 0.072 Uiso 1 1 calc R U . . .
H153 H 0.171234 -0.083987 0.333777 0.072 Uiso 1 1 calc R U . . .
C21 C 0.2030(3) 0.3592(2) 0.5192(2) 0.0347(6) Uani 1 1 d . . . . .
C22 C 0.1390(3) 0.4067(2) 0.4786(2) 0.0371(7) Uani 1 1 d . . . . .
C23 C 0.1498(3) 0.5036(2) 0.5242(3) 0.0472(8) Uani 1 1 d . . . . .
H23 H 0.106889 0.537216 0.498206 0.057 Uiso 1 1 calc R U . . .
C24 C 0.2217(3) 0.5512(3) 0.6064(3) 0.0563(10) Uani 1 1 d . . . . .
H24 H 0.228921 0.617580 0.636073 0.068 Uiso 1 1 calc R U . . .
C25 C 0.2833(4) 0.5032(3) 0.6459(2) 0.0555(10) Uani 1 1 d . . . . .
H25 H 0.332133 0.536632 0.702906 0.067 Uiso 1 1 calc R U . . .
C26 C 0.2749(3) 0.4057(2) 0.6030(2) 0.0452(8) Uani 1 1 d . . . . .
C27 C 0.0641(3) 0.3560(2) 0.3871(2) 0.0456(8) Uani 1 1 d . . . . .
H271 H 0.109051 0.343782 0.339363 0.068 Uiso 1 1 calc R U . . .
H272 H 0.018565 0.396939 0.373844 0.068 Uiso 1 1 calc R U . . .
H273 H 0.015759 0.294212 0.388433 0.068 Uiso 1 1 calc R U . . .
C28 C 0.3443(4) 0.3540(3) 0.6448(2) 0.0622(11) Uani 1 1 d . . . . .
H281 H 0.298776 0.312695 0.674996 0.093 Uiso 1 1 calc R U . . .
H282 H 0.406687 0.401774 0.690152 0.093 Uiso 1 1 calc R U . . .
H283 H 0.372772 0.313810 0.596649 0.093 Uiso 1 1 calc R U . . .
C31 C 0.2689(2) 0.05774(17) 0.24860(18) 0.0276(6) Uani 1 1 d . . . . .
C32 C 0.3596(3) 0.02146(19) 0.2599(2) 0.0339(6) Uani 1 1 d . . . . .
C33 C 0.3959(3) -0.0233(2) 0.1819(2) 0.0448(8) Uani 1 1 d . . . . .
H33 H 0.459316 -0.046056 0.188332 0.054 Uiso 1 1 calc R U . . .
C34 C 0.3417(3) -0.0353(2) 0.0955(2) 0.0526(9) Uani 1 1 d . . . . .
H34 H 0.367491 -0.066495 0.042987 0.063 Uiso 1 1 calc R U . . .
C35 C 0.2501(3) -0.0020(2) 0.0851(2) 0.0466(8) Uani 1 1 d . . . . .
H35 H 0.211914 -0.012116 0.025174 0.056 Uiso 1 1 calc R U . . .
C36 C 0.2126(3) 0.04653(18) 0.16143(19) 0.0334(6) Uani 1 1 d . . . . .
C37 C 0.4147(3) 0.0283(2) 0.3534(2) 0.0444(8) Uani 1 1 d . . . . .
H371 H 0.367055 -0.018737 0.376993 0.067 Uiso 1 1 calc R U . . .
H372 H 0.426835 0.093935 0.394847 0.067 Uiso 1 1 calc R U . . .
H373 H 0.486141 0.014213 0.349639 0.067 Uiso 1 1 calc R U . . .
C38 C 0.1164(3) 0.0871(2) 0.1514(2) 0.0447(8) Uani 1 1 d . . . . .
H381 H 0.058294 0.057796 0.181165 0.067 Uiso 1 1 calc R U . . .
H382 H 0.086986 0.072544 0.086072 0.067 Uiso 1 1 calc R U . . .
H383 H 0.141044 0.157545 0.180250 0.067 Uiso 1 1 calc R U . . .
C41 C 0.1925(3) 0.74468(19) 0.1710(2) 0.0355(7) Uani 1 1 d . . . . .
H411 H 0.132561 0.743798 0.206781 0.053 Uiso 1 1 calc R U . . .
H412 H 0.173552 0.764996 0.117314 0.053 Uiso 1 1 calc R U . . .
H413 H 0.261611 0.790348 0.209193 0.053 Uiso 1 1 calc R U . . .
C42 C 0.2075(2) 0.64420(18) 0.13982(18) 0.0257(5) Uani 1 1 d . . . . .
C43 C 0.1738(2) 0.59406(19) 0.04653(18) 0.0273(5) Uani 1 1 d . . . . .
H43 H 0.152136 0.629776 0.008687 0.033 Uiso 1 1 calc R U . . .
C44 C 0.1680(2) 0.49793(19) 0.00186(17) 0.0248(5) Uani 1 1 d . . . . .
C45 C 0.1050(2) 0.4593(2) -0.09623(18) 0.0334(6) Uani 1 1 d . . . . .
H451 H 0.155070 0.441321 -0.138031 0.050 Uiso 1 1 calc R U . . .
H452 H 0.076005 0.509537 -0.111374 0.050 Uiso 1 1 calc R U . . .
H453 H 0.043172 0.402120 -0.102634 0.050 Uiso 1 1 calc R U . . .
C51 C 0.2745(2) 0.66583(17) 0.29442(17) 0.0256(5) Uani 1 1 d . . . . .
C52 C 0.1955(2) 0.65828(19) 0.35133(18) 0.0291(6) Uani 1 1 d . . . . .
C53 C 0.2267(3) 0.7158(2) 0.44330(19) 0.0369(7) Uani 1 1 d . . . . .
H53 H 0.174547 0.711720 0.483397 0.044 Uiso 1 1 calc R U . . .
C54 C 0.3323(3) 0.7785(2) 0.4764(2) 0.0406(7) Uani 1 1 d . . . . .
H54 H 0.352331 0.817184 0.538941 0.049 Uiso 1 1 calc R U . . .
C55 C 0.4084(3) 0.7849(2) 0.4189(2) 0.0385(7) Uani 1 1 d . . . . .
H55 H 0.480873 0.828116 0.442375 0.046 Uiso 1 1 calc R U . . .
C56 C 0.3813(2) 0.72948(19) 0.32715(19) 0.0303(6) Uani 1 1 d . . . . .
C57 C 0.0801(3) 0.5904(2) 0.3141(2) 0.0393(7) Uani 1 1 d . . . . .
H571 H 0.040474 0.614780 0.271610 0.059 Uiso 1 1 calc R U . . .
H572 H 0.040136 0.586633 0.364964 0.059 Uiso 1 1 calc R U . . .
H573 H 0.084802 0.525725 0.281696 0.059 Uiso 1 1 calc R U . . .
C58 C 0.4632(3) 0.7384(2) 0.2641(2) 0.0415(7) Uani 1 1 d . . . . .
H581 H 0.467135 0.673680 0.230856 0.062 Uiso 1 1 calc R U . . .
H582 H 0.536456 0.777615 0.299891 0.062 Uiso 1 1 calc R U . . .
H583 H 0.439546 0.769674 0.220079 0.062 Uiso 1 1 calc R U . . .
C61 C 0.1901(2) 0.34320(18) -0.01603(17) 0.0252(5) Uani 1 1 d . . . . .
C62 C 0.2526(3) 0.3231(2) -0.08483(18) 0.0320(6) Uani 1 1 d . . . . .
C63 C 0.2256(3) 0.2285(2) -0.1439(2) 0.0438(8) Uani 1 1 d . . . . .
H63 H 0.266742 0.213705 -0.191435 0.053 Uiso 1 1 calc R U . . .
C64 C 0.1404(3) 0.1563(2) -0.1344(2) 0.0519(9) Uani 1 1 d . . . . .
H64 H 0.122797 0.092341 -0.175372 0.062 Uiso 1 1 calc R U . . .
C65 C 0.0805(3) 0.1768(2) -0.0654(2) 0.0440(8) Uani 1 1 d . . . . .
H65 H 0.021937 0.126363 -0.059273 0.053 Uiso 1 1 calc R U . . .
C66 C 0.1040(2) 0.2699(2) -0.00445(19) 0.0321(6) Uani 1 1 d . . . . .
C67 C 0.3452(3) 0.4016(2) -0.0973(2) 0.0385(7) Uani 1 1 d . . . . .
H671 H 0.400629 0.372819 -0.124516 0.058 Uiso 1 1 calc R U . . .
H672 H 0.380100 0.449524 -0.037615 0.058 Uiso 1 1 calc R U . . .
H673 H 0.315043 0.433345 -0.138048 0.058 Uiso 1 1 calc R U . . .
C68 C 0.0379(2) 0.2908(2) 0.0700(2) 0.0397(7) Uani 1 1 d . . . . .
H681 H -0.025702 0.234225 0.060920 0.060 Uiso 1 1 calc R U . . .
H682 H 0.011401 0.346881 0.068204 0.060 Uiso 1 1 calc R U . . .
H683 H 0.084796 0.305146 0.129737 0.060 Uiso 1 1 calc R U . . .
C71 C 0.3570(2) 0.42169(17) 0.32802(16) 0.0210(5) Uani 1 1 d . . . . .
C72 C 0.37144(19) 0.34946(17) 0.25128(16) 0.0201(5) Uani 1 1 d . . . . .
C73 C 0.4138(2) 0.27388(17) 0.27216(17) 0.0226(5) Uani 1 1 d . . . . .
H73 H 0.412451 0.215938 0.220575 0.027 Uiso 1 1 calc R U . . .
C74 C 0.4740(2) 0.28797(18) 0.35915(18) 0.0274(6) Uani 1 1 d . . . . .
H74 H 0.522694 0.246260 0.367924 0.033 Uiso 1 1 calc R U . . .
C75 C 0.4605(2) 0.36059(19) 0.43474(18) 0.0291(6) Uani 1 1 d . . . . .
H75 H 0.500004 0.372118 0.498239 0.035 Uiso 1 1 calc R U . . .
C76 C 0.3858(2) 0.41330(17) 0.41805(17) 0.0250(5) Uani 1 1 d . . . . .
H76 H 0.366251 0.457098 0.471629 0.030 Uiso 1 1 calc R U . . .
C81 C 0.3929(2) 0.31327(18) 0.09842(17) 0.0252(5) Uani 1 1 d . . . . .
C82 C 0.3516(3) 0.2155(2) 0.05217(19) 0.0334(6) Uani 1 1 d . . . . .
H82 H 0.285013 0.178244 0.063654 0.040 Uiso 1 1 calc R U . . .
C83 C 0.4092(3) 0.1721(2) -0.0120(2) 0.0491(9) Uani 1 1 d . . . . .
H83 H 0.382591 0.104451 -0.043055 0.059 Uiso 1 1 calc R U . . .
C84 C 0.5033(3) 0.2262(3) -0.0302(2) 0.0533(10) Uani 1 1 d . . . . .
H84 H 0.541218 0.195964 -0.074370 0.064 Uiso 1 1 calc R U . . .
C85 C 0.5437(3) 0.3236(3) 0.0146(3) 0.0533(9) Uani 1 1 d . . . . .
H85 H 0.608917 0.360978 0.001298 0.064 Uiso 1 1 calc R U . . .
C86 C 0.4886(3) 0.3673(2) 0.0796(2) 0.0386(7) Uani 1 1 d . . . . .
H86 H 0.516669 0.434744 0.111269 0.046 Uiso 1 1 calc R U . . .
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'
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
N5 Rh2 N3 93.81(8) . .
N5 Rh2 N4 168.07(9) . .
N3 Rh2 N4 90.19(8) . .
N5 Rh2 N6 77.50(8) . .
N3 Rh2 N6 167.66(8) . .
N4 Rh2 N6 100.08(8) . .
N1 Rh1 N2 89.59(9) . .
N1 Rh1 C75 111.71(10) . .
N2 Rh1 C75 144.48(10) . .
N1 Rh1 C74 147.96(10) . .
N2 Rh1 C74 110.93(9) . .
C75 Rh1 C74 38.87(10) . .
N1 Rh1 C76 95.60(9) . .
N2 Rh1 C76 172.10(9) . .
C75 Rh1 C76 37.59(10) . .
C74 Rh1 C76 67.09(10) . .
N1 Rh1 C73 165.67(9) . .
N2 Rh1 C73 99.47(9) . .
C75 Rh1 C73 66.42(10) . .
C74 Rh1 C73 36.79(9) . .
C76 Rh1 C73 74.31(9) . .
C12 N1 C21 118.1(2) . .
C12 N1 Rh1 127.4(2) . .
C21 N1 Rh1 114.47(18) . .
C14 N2 C31 116.6(2) . .
C14 N2 Rh1 127.25(19) . .
C31 N2 Rh1 116.18(16) . .
C42 N3 C51 115.9(2) . .
C42 N3 Rh2 127.76(17) . .
C51 N3 Rh2 116.19(15) . .
C44 N4 C61 114.8(2) . .
C44 N4 Rh2 126.26(17) . .
C61 N4 Rh2 118.41(16) . .
C71 N5 Rh2 118.12(17) . .
C71 N5 H5 120(2) . .
Rh2 N5 H5 122(2) . .
C72 N6 C81 114.4(2) . .
C72 N6 Rh2 115.16(16) . .
C81 N6 Rh2 127.97(16) . .
C12 C11 H111 109.5 . .
C12 C11 H112 109.5 . .
H111 C11 H112 109.5 . .
C12 C11 H113 109.5 . .
H111 C11 H113 109.5 . .
H112 C11 H113 109.5 . .
N1 C12 C13 123.8(3) . .
N1 C12 C11 119.0(3) . .
C13 C12 C11 117.2(3) . .
C14 C13 C12 127.8(3) . .
C14 C13 H13 116.1 . .
C12 C13 H13 116.1 . .
N2 C14 C13 123.7(3) . .
N2 C14 C15 119.8(3) . .
C13 C14 C15 116.5(3) . .
C14 C15 H151 109.5 . .
C14 C15 H152 109.5 . .
H151 C15 H152 109.5 . .
C14 C15 H153 109.5 . .
H151 C15 H153 109.5 . .
H152 C15 H153 109.5 . .
C26 C21 C22 121.9(3) . .
C26 C21 N1 120.0(3) . .
C22 C21 N1 118.0(3) . .
C23 C22 C21 118.0(3) . .
C23 C22 C27 120.9(3) . .
C21 C22 C27 121.1(3) . .
C24 C23 C22 121.0(3) . .
C24 C23 H23 119.5 . .
C22 C23 H23 119.5 . .
C23 C24 C25 120.3(3) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
C24 C25 C26 120.8(3) . .
C24 C25 H25 119.6 . .
C26 C25 H25 119.6 . .
C21 C26 C25 118.0(3) . .
C21 C26 C28 121.2(3) . .
C25 C26 C28 120.8(3) . .
C22 C27 H271 109.5 . .
C22 C27 H272 109.5 . .
H271 C27 H272 109.5 . .
C22 C27 H273 109.5 . .
H271 C27 H273 109.5 . .
H272 C27 H273 109.5 . .
C26 C28 H281 109.5 . .
C26 C28 H282 109.5 . .
H281 C28 H282 109.5 . .
C26 C28 H283 109.5 . .
H281 C28 H283 109.5 . .
H282 C28 H283 109.5 . .
C32 C31 C36 121.5(3) . .
C32 C31 N2 120.0(2) . .
C36 C31 N2 118.6(3) . .
C33 C32 C31 118.3(3) . .
C33 C32 C37 120.7(3) . .
C31 C32 C37 121.0(3) . .
C34 C33 C32 121.2(3) . .
C34 C33 H33 119.4 . .
C32 C33 H33 119.4 . .
C33 C34 C35 120.0(3) . .
C33 C34 H34 120.0 . .
C35 C34 H34 120.0 . .
C34 C35 C36 120.9(3) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C35 C36 C31 118.0(3) . .
C35 C36 C38 121.6(3) . .
C31 C36 C38 120.3(3) . .
C32 C37 H371 109.5 . .
C32 C37 H372 109.5 . .
H371 C37 H372 109.5 . .
C32 C37 H373 109.5 . .
H371 C37 H373 109.5 . .
H372 C37 H373 109.5 . .
C36 C38 H381 109.5 . .
C36 C38 H382 109.5 . .
H381 C38 H382 109.5 . .
C36 C38 H383 109.5 . .
H381 C38 H383 109.5 . .
H382 C38 H383 109.5 . .
C42 C41 H411 109.5 . .
C42 C41 H412 109.5 . .
H411 C41 H412 109.5 . .
C42 C41 H413 109.5 . .
H411 C41 H413 109.5 . .
H412 C41 H413 109.5 . .
N3 C42 C43 122.8(2) . .
N3 C42 C41 120.6(2) . .
C43 C42 C41 116.6(2) . .
C42 C43 C44 128.0(2) . .
C42 C43 H43 116.0 . .
C44 C43 H43 116.0 . .
N4 C44 C43 124.0(2) . .
N4 C44 C45 121.4(2) . .
C43 C44 C45 114.5(2) . .
C44 C45 H451 109.5 . .
C44 C45 H452 109.5 . .
H451 C45 H452 109.5 . .
C44 C45 H453 109.5 . .
H451 C45 H453 109.5 . .
H452 C45 H453 109.5 . .
C56 C51 C52 121.5(2) . .
C56 C51 N3 119.2(2) . .
C52 C51 N3 119.3(2) . .
C51 C52 C53 118.0(3) . .
C51 C52 C57 120.6(2) . .
C53 C52 C57 121.3(3) . .
C54 C53 C52 120.9(3) . .
C54 C53 H53 119.6 . .
C52 C53 H53 119.6 . .
C55 C54 C53 120.0(3) . .
C55 C54 H54 120.0 . .
C53 C54 H54 120.0 . .
C54 C55 C56 121.3(3) . .
C54 C55 H55 119.4 . .
C56 C55 H55 119.4 . .
C55 C56 C51 118.3(3) . .
C55 C56 C58 121.2(3) . .
C51 C56 C58 120.4(2) . .
C52 C57 H571 109.5 . .
C52 C57 H572 109.5 . .
H571 C57 H572 109.5 . .
C52 C57 H573 109.5 . .
H571 C57 H573 109.5 . .
H572 C57 H573 109.5 . .
C56 C58 H581 109.5 . .
C56 C58 H582 109.5 . .
H581 C58 H582 109.5 . .
C56 C58 H583 109.5 . .
H581 C58 H583 109.5 . .
H582 C58 H583 109.5 . .
C62 C61 C66 121.2(2) . .
C62 C61 N4 119.5(2) . .
C66 C61 N4 119.2(2) . .
C63 C62 C61 118.3(3) . .
C63 C62 C67 120.3(3) . .
C61 C62 C67 121.3(2) . .
C64 C63 C62 121.1(3) . .
C64 C63 H63 119.4 . .
C62 C63 H63 119.4 . .
C63 C64 C65 119.9(3) . .
C63 C64 H64 120.0 . .
C65 C64 H64 120.0 . .
C64 C65 C66 121.4(3) . .
C64 C65 H65 119.3 . .
C66 C65 H65 119.3 . .
C65 C66 C61 118.0(3) . .
C65 C66 C68 120.6(3) . .
C61 C66 C68 121.3(2) . .
C62 C67 H671 109.5 . .
C62 C67 H672 109.5 . .
H671 C67 H672 109.5 . .
C62 C67 H673 109.5 . .
H671 C67 H673 109.5 . .
H672 C67 H673 109.5 . .
C66 C68 H681 109.5 . .
C66 C68 H682 109.5 . .
H681 C68 H682 109.5 . .
C66 C68 H683 109.5 . .
H681 C68 H683 109.5 . .
H682 C68 H683 109.5 . .
N5 C71 C72 114.5(2) . .
N5 C71 C76 127.9(2) . .
C72 C71 C76 117.5(2) . .
N6 C72 C71 114.3(2) . .
N6 C72 C73 129.5(2) . .
C71 C72 C73 116.3(2) . .
C74 C73 C72 121.5(2) . .
C74 C73 Rh1 65.71(14) . .
C72 C73 Rh1 95.28(15) . .
C74 C73 H73 118.7 . .
C72 C73 H73 118.7 . .
Rh1 C73 H73 118.7 . .
C73 C74 C75 118.1(2) . .
C73 C74 Rh1 77.50(15) . .
C75 C74 Rh1 70.01(15) . .
C73 C74 H74 120.9 . .
C75 C74 H74 120.9 . .
Rh1 C74 H74 120.9 . .
C76 C75 C74 117.9(2) . .
C76 C75 Rh1 75.94(15) . .
C74 C75 Rh1 71.12(15) . .
C76 C75 H75 121.0 . .
C74 C75 H75 121.0 . .
Rh1 C75 H75 121.0 . .
C75 C76 C71 121.1(2) . .
C75 C76 Rh1 66.47(14) . .
C71 C76 Rh1 96.04(15) . .
C75 C76 H76 118.7 . .
C71 C76 H76 118.7 . .
Rh1 C76 H76 118.7 . .
C82 C81 C86 120.0(3) . .
C82 C81 N6 123.1(2) . .
C86 C81 N6 116.9(2) . .
C81 C82 C83 119.0(3) . .
C81 C82 H82 120.5 . .
C83 C82 H82 120.5 . .
C84 C83 C82 120.5(3) . .
C84 C83 H83 119.8 . .
C82 C83 H83 119.8 . .
C83 C84 C85 120.6(3) . .
C83 C84 H84 119.7 . .
C85 C84 H84 119.7 . .
C84 C85 C86 119.5(3) . .
C84 C85 H85 120.3 . .
C86 C85 H85 120.3 . .
C81 C86 C85 120.4(3) . .
C81 C86 H86 119.8 . .
C85 C86 H86 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh2 N5 1.983(2) .
Rh2 N3 2.015(2) .
Rh2 N4 2.026(2) .
Rh2 N6 2.051(2) .
Rh1 N1 2.019(2) .
Rh1 N2 2.035(2) .
Rh1 C75 2.124(3) .
Rh1 C74 2.138(3) .
Rh1 C76 2.247(2) .
Rh1 C73 2.290(2) .
N1 C12 1.331(4) .
N1 C21 1.440(3) .
N2 C14 1.324(4) .
N2 C31 1.431(3) .
N3 C42 1.332(3) .
N3 C51 1.439(3) .
N4 C44 1.335(3) .
N4 C61 1.442(3) .
N5 C71 1.315(3) .
N5 H5 0.86(3) .
N6 C72 1.334(3) .
N6 C81 1.434(3) .
C11 C12 1.521(4) .
C11 H111 0.9800 .
C11 H112 0.9800 .
C11 H113 0.9800 .
C12 C13 1.393(4) .
C13 C14 1.392(4) .
C13 H13 0.9500 .
C14 C15 1.513(4) .
C15 H151 0.9800 .
C15 H152 0.9800 .
C15 H153 0.9800 .
C21 C26 1.392(5) .
C21 C22 1.399(4) .
C22 C23 1.393(4) .
C22 C27 1.501(5) .
C23 C24 1.377(5) .
C23 H23 0.9500 .
C24 C25 1.377(5) .
C24 H24 0.9500 .
C25 C26 1.399(5) .
C25 H25 0.9500 .
C26 C28 1.504(5) .
C27 H271 0.9800 .
C27 H272 0.9800 .
C27 H273 0.9800 .
C28 H281 0.9800 .
C28 H282 0.9800 .
C28 H283 0.9800 .
C31 C32 1.396(4) .
C31 C36 1.399(4) .
C32 C33 1.389(4) .
C32 C37 1.499(4) .
C33 C34 1.375(5) .
C33 H33 0.9500 .
C34 C35 1.378(5) .
C34 H34 0.9500 .
C35 C36 1.398(4) .
C35 H35 0.9500 .
C36 C38 1.497(4) .
C37 H371 0.9800 .
C37 H372 0.9800 .
C37 H373 0.9800 .
C38 H381 0.9800 .
C38 H382 0.9800 .
C38 H383 0.9800 .
C41 C42 1.512(3) .
C41 H411 0.9800 .
C41 H412 0.9800 .
C41 H413 0.9800 .
C42 C43 1.394(4) .
C43 C44 1.395(4) .
C43 H43 0.9500 .
C44 C45 1.518(3) .
C45 H451 0.9800 .
C45 H452 0.9800 .
C45 H453 0.9800 .
C51 C56 1.397(4) .
C51 C52 1.397(4) .
C52 C53 1.401(4) .
C52 C57 1.508(4) .
C53 C54 1.381(5) .
C53 H53 0.9500 .
C54 C55 1.375(5) .
C54 H54 0.9500 .
C55 C56 1.389(4) .
C55 H55 0.9500 .
C56 C58 1.496(4) .
C57 H571 0.9800 .
C57 H572 0.9800 .
C57 H573 0.9800 .
C58 H581 0.9800 .
C58 H582 0.9800 .
C58 H583 0.9800 .
C61 C62 1.397(4) .
C61 C66 1.405(4) .
C62 C63 1.396(4) .
C62 C67 1.507(4) .
C63 C64 1.374(5) .
C63 H63 0.9500 .
C64 C65 1.377(5) .
C64 H64 0.9500 .
C65 C66 1.393(4) .
C65 H65 0.9500 .
C66 C68 1.497(4) .
C67 H671 0.9800 .
C67 H672 0.9800 .
C67 H673 0.9800 .
C68 H681 0.9800 .
C68 H682 0.9800 .
C68 H683 0.9800 .
C71 C72 1.431(3) .
C71 C76 1.441(3) .
C72 C73 1.455(3) .
C73 C74 1.405(4) .
C73 H73 1.0000 .
C74 C75 1.418(4) .
C74 H74 1.0000 .
C75 C76 1.413(4) .
C75 H75 1.0000 .
C76 H76 1.0000 .
C81 C82 1.379(4) .
C81 C86 1.384(4) .
C82 C83 1.400(4) .
C82 H82 0.9500 .
C83 C84 1.365(5) .
C83 H83 0.9500 .
C84 C85 1.370(5) .
C84 H84 0.9500 .
C85 C86 1.387(4) .
C85 H85 0.9500 .
C86 H86 0.9500 .
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
C21 N1 C12 C13 174.7(3) . . . .
Rh1 N1 C12 C13 -2.2(5) . . . .
C21 N1 C12 C11 -4.9(5) . . . .
Rh1 N1 C12 C11 178.2(3) . . . .
N1 C12 C13 C14 -3.6(6) . . . .
C11 C12 C13 C14 176.0(4) . . . .
C31 N2 C14 C13 -176.6(3) . . . .
Rh1 N2 C14 C13 4.8(5) . . . .
C31 N2 C14 C15 3.4(4) . . . .
Rh1 N2 C14 C15 -175.2(2) . . . .
C12 C13 C14 N2 2.2(6) . . . .
C12 C13 C14 C15 -177.8(4) . . . .
C12 N1 C21 C26 93.0(4) . . . .
Rh1 N1 C21 C26 -89.8(3) . . . .
C12 N1 C21 C22 -91.2(3) . . . .
Rh1 N1 C21 C22 86.1(3) . . . .
C26 C21 C22 C23 0.7(5) . . . .
N1 C21 C22 C23 -175.0(3) . . . .
C26 C21 C22 C27 178.5(3) . . . .
N1 C21 C22 C27 2.8(4) . . . .
C21 C22 C23 C24 0.3(5) . . . .
C27 C22 C23 C24 -177.4(3) . . . .
C22 C23 C24 C25 -1.0(6) . . . .
C23 C24 C25 C26 0.6(6) . . . .
C22 C21 C26 C25 -1.1(5) . . . .
N1 C21 C26 C25 174.6(3) . . . .
C22 C21 C26 C28 -179.1(3) . . . .
N1 C21 C26 C28 -3.4(5) . . . .
C24 C25 C26 C21 0.4(5) . . . .
C24 C25 C26 C28 178.4(4) . . . .
C14 N2 C31 C32 -91.2(3) . . . .
Rh1 N2 C31 C32 87.6(3) . . . .
C14 N2 C31 C36 88.7(3) . . . .
Rh1 N2 C31 C36 -92.5(2) . . . .
C36 C31 C32 C33 2.4(4) . . . .
N2 C31 C32 C33 -177.7(2) . . . .
C36 C31 C32 C37 -176.1(3) . . . .
N2 C31 C32 C37 3.8(4) . . . .
C31 C32 C33 C34 -2.5(4) . . . .
C37 C32 C33 C34 176.0(3) . . . .
C32 C33 C34 C35 0.5(5) . . . .
C33 C34 C35 C36 1.7(5) . . . .
C34 C35 C36 C31 -1.8(4) . . . .
C34 C35 C36 C38 177.2(3) . . . .
C32 C31 C36 C35 -0.3(4) . . . .
N2 C31 C36 C35 179.8(2) . . . .
C32 C31 C36 C38 -179.3(3) . . . .
N2 C31 C36 C38 0.8(4) . . . .
C51 N3 C42 C43 -178.5(2) . . . .
Rh2 N3 C42 C43 6.9(4) . . . .
C51 N3 C42 C41 -1.9(4) . . . .
Rh2 N3 C42 C41 -176.5(2) . . . .
N3 C42 C43 C44 3.8(4) . . . .
C41 C42 C43 C44 -172.9(3) . . . .
C61 N4 C44 C43 177.0(2) . . . .
Rh2 N4 C44 C43 5.5(4) . . . .
C61 N4 C44 C45 -0.8(3) . . . .
Rh2 N4 C44 C45 -172.33(19) . . . .
C42 C43 C44 N4 -10.5(5) . . . .
C42 C43 C44 C45 167.5(3) . . . .
C42 N3 C51 C56 -87.8(3) . . . .
Rh2 N3 C51 C56 87.5(2) . . . .
C42 N3 C51 C52 93.4(3) . . . .
Rh2 N3 C51 C52 -91.3(2) . . . .
C56 C51 C52 C53 -0.8(4) . . . .
N3 C51 C52 C53 178.1(2) . . . .
C56 C51 C52 C57 178.9(3) . . . .
N3 C51 C52 C57 -2.3(4) . . . .
C51 C52 C53 C54 0.3(4) . . . .
C57 C52 C53 C54 -179.3(3) . . . .
C52 C53 C54 C55 0.0(4) . . . .
C53 C54 C55 C56 0.2(5) . . . .
C54 C55 C56 C51 -0.6(4) . . . .
C54 C55 C56 C58 178.4(3) . . . .
C52 C51 C56 C55 0.9(4) . . . .
N3 C51 C56 C55 -177.9(2) . . . .
C52 C51 C56 C58 -178.1(2) . . . .
N3 C51 C56 C58 3.1(4) . . . .
C44 N4 C61 C62 77.0(3) . . . .
Rh2 N4 C61 C62 -110.7(2) . . . .
C44 N4 C61 C66 -99.9(3) . . . .
Rh2 N4 C61 C66 72.4(3) . . . .
C66 C61 C62 C63 1.7(4) . . . .
N4 C61 C62 C63 -175.1(2) . . . .
C66 C61 C62 C67 -179.9(3) . . . .
N4 C61 C62 C67 3.3(4) . . . .
C61 C62 C63 C64 -0.6(5) . . . .
C67 C62 C63 C64 -179.0(3) . . . .
C62 C63 C64 C65 -0.3(5) . . . .
C63 C64 C65 C66 0.2(5) . . . .
C64 C65 C66 C61 0.9(5) . . . .
C64 C65 C66 C68 179.9(3) . . . .
C62 C61 C66 C65 -1.8(4) . . . .
N4 C61 C66 C65 175.0(2) . . . .
C62 C61 C66 C68 179.1(3) . . . .
N4 C61 C66 C68 -4.0(4) . . . .
Rh2 N5 C71 C72 5.5(3) . . . .
Rh2 N5 C71 C76 -176.5(2) . . . .
C81 N6 C72 C71 159.7(2) . . . .
Rh2 N6 C72 C71 -3.9(3) . . . .
C81 N6 C72 C73 -19.4(4) . . . .
Rh2 N6 C72 C73 176.9(2) . . . .
N5 C71 C72 N6 -0.8(3) . . . .
C76 C71 C72 N6 -179.0(2) . . . .
N5 C71 C72 C73 178.4(2) . . . .
C76 C71 C72 C73 0.2(3) . . . .
N6 C72 C73 C74 156.8(3) . . . .
C71 C72 C73 C74 -22.3(3) . . . .
N6 C72 C73 Rh1 -138.6(2) . . . .
C71 C72 C73 Rh1 42.4(2) . . . .
C72 C73 C74 C75 21.9(4) . . . .
Rh1 C73 C74 C75 -59.0(2) . . . .
C72 C73 C74 Rh1 80.9(2) . . . .
C73 C74 C75 C76 1.0(4) . . . .
Rh1 C74 C75 C76 -61.9(2) . . . .
C73 C74 C75 Rh1 62.9(2) . . . .
C74 C75 C76 C71 -23.2(4) . . . .
Rh1 C75 C76 C71 -82.6(2) . . . .
C74 C75 C76 Rh1 59.4(2) . . . .
N5 C71 C76 C75 -155.5(3) . . . .
C72 C71 C76 C75 22.4(4) . . . .
N5 C71 C76 Rh1 138.4(2) . . . .
C72 C71 C76 Rh1 -43.7(2) . . . .
C72 N6 C81 C82 78.7(3) . . . .
Rh2 N6 C81 C82 -120.2(2) . . . .
C72 N6 C81 C86 -97.9(3) . . . .
Rh2 N6 C81 C86 63.2(3) . . . .
C86 C81 C82 C83 1.5(4) . . . .
N6 C81 C82 C83 -175.0(3) . . . .
C81 C82 C83 C84 -1.7(5) . . . .
C82 C83 C84 C85 0.7(6) . . . .
C83 C84 C85 C86 0.5(6) . . . .
C82 C81 C86 C85 -0.4(5) . . . .
N6 C81 C86 C85 176.3(3) . . . .
C84 C85 C86 C81 -0.6(5) . . . .
