#------------------------------------------------------------------------------
#$Date: 2021-07-06 12:14:15 +0300 (Tue, 06 Jul 2021) $
#$Revision: 267294 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/39/1563982.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_1563982
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 H62 N6 Rh2'
_chemical_formula_sum            'C54 H62 N6 Rh2'
_chemical_formula_weight         1000.91
_chemical_properties_physical    'air-sensitive, moisture-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 98.6830(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3459(6)
_cell_length_b                   19.7572(11)
_cell_length_c                   21.2312(11)
_cell_measurement_reflns_used    9991
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.525
_cell_measurement_theta_min      2.7485
_cell_volume                     4704.7(4)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  '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  0.0521
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            100597
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.547
_diffrn_reflns_theta_min         2.279
_diffrn_source                   'fine-focus tube'
_exptl_absorpt_coefficient_mu    0.745
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6911
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_description       block
_exptl_crystal_F_000             2072
_exptl_crystal_recrystallization_method Hexane
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.303
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     579
_refine_ls_number_reflns         10843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0287P)²+4.0907P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0582
_refine_ls_wR_factor_ref         0.0622
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9065
_reflns_number_total             10843
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2018-482-709.cif
_cod_data_source_block           complex_3c
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1563982
_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   0.909
_shelx_estimated_absorpt_t_max   0.978
_exptl_absorpt_special_details   'SADABS V2014/5 (Bruker AXS Inc.)'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.41890(2) 0.20542(2) 0.57636(2) 0.01351(4) Uani 1 1 d . . . . .
Rh2 Rh 0.49035(2) 0.25502(2) 0.68702(2) 0.01415(4) Uani 1 1 d . . . . .
N1 N 0.54034(14) 0.20273(8) 0.51477(8) 0.0170(3) Uani 1 1 d . . . . .
N2 N 0.33330(15) 0.12539(8) 0.53124(8) 0.0174(3) Uani 1 1 d . . . . .
N3 N 0.54825(15) 0.19010(9) 0.75914(8) 0.0187(3) Uani 1 1 d . . . . .
N4 N 0.60469(15) 0.32630(9) 0.72878(8) 0.0186(3) Uani 1 1 d . . . . .
N5 N 0.45296(16) 0.30420(9) 0.60071(8) 0.0172(3) Uani 1 1 d . . . . .
N6 N 0.33871(15) 0.20052(9) 0.65830(8) 0.0163(3) Uani 1 1 d . . . . .
C11 C 0.6551(2) 0.15486(12) 0.43539(12) 0.0304(5) Uani 1 1 d . . . . .
H111 H 0.650615 0.196911 0.410662 0.046 Uiso 1 1 calc R U . . .
H112 H 0.648643 0.116042 0.406340 0.046 Uiso 1 1 calc R U . . .
H113 H 0.731513 0.152933 0.463884 0.046 Uiso 1 1 calc R U . . .
C12 C 0.55370(18) 0.15284(11) 0.47459(10) 0.0202(4) Uani 1 1 d . . . . .
C13 C 0.47721(19) 0.09681(11) 0.46376(10) 0.0225(4) Uani 1 1 d . . . . .
H131 H 0.501469 0.062041 0.437591 0.027 Uiso 1 1 calc R U . . .
C14 C 0.37078(19) 0.08608(10) 0.48659(10) 0.0200(4) Uani 1 1 d . . . . .
C15 C 0.2940(2) 0.02833(12) 0.45755(11) 0.0282(5) Uani 1 1 d . . . . .
H151 H 0.277215 -0.002403 0.491325 0.042 Uiso 1 1 calc R U . . .
H152 H 0.336061 0.003649 0.427636 0.042 Uiso 1 1 calc R U . . .
H153 H 0.218871 0.046252 0.434834 0.042 Uiso 1 1 calc R U . . .
C21 C 0.62843(18) 0.25568(11) 0.51646(10) 0.0196(4) Uani 1 1 d . . . . .
C22 C 0.6084(2) 0.30900(11) 0.47297(10) 0.0235(4) Uani 1 1 d . . . . .
C23 C 0.6996(2) 0.35568(12) 0.47044(12) 0.0319(5) Uani 1 1 d . . . . .
H231 H 0.686913 0.392803 0.441779 0.038 Uiso 1 1 calc R U . . .
C24 C 0.8082(2) 0.34866(14) 0.50904(13) 0.0368(6) Uani 1 1 d . . . . .
H241 H 0.870707 0.379835 0.505626 0.044 Uiso 1 1 calc R U . . .
C25 C 0.8263(2) 0.29644(13) 0.55260(12) 0.0334(6) Uani 1 1 d . . . . .
H251 H 0.901332 0.292101 0.578987 0.040 Uiso 1 1 calc R U . . .
C26 C 0.73576(19) 0.24973(12) 0.55855(10) 0.0242(5) Uani 1 1 d . . . . .
C27 C 0.4940(2) 0.31353(13) 0.42699(11) 0.0326(5) Uani 1 1 d . . . . .
H271 H 0.482247 0.360162 0.411593 0.049 Uiso 1 1 calc R U . . .
H272 H 0.427174 0.300154 0.448584 0.049 Uiso 1 1 calc R U . . .
H273 H 0.498146 0.283226 0.390846 0.049 Uiso 1 1 calc R U . . .
C28 C 0.7533(2) 0.19523(13) 0.60801(11) 0.0323(5) Uani 1 1 d . . . . .
H281 H 0.838015 0.192078 0.625703 0.048 Uiso 1 1 calc R U . . .
H282 H 0.726171 0.151873 0.588558 0.048 Uiso 1 1 calc R U . . .
H283 H 0.707098 0.206025 0.642161 0.048 Uiso 1 1 calc R U . . .
C31 C 0.20948(18) 0.11653(10) 0.53829(10) 0.0197(4) Uani 1 1 d . . . . .
C32 C 0.12423(19) 0.15625(12) 0.50075(11) 0.0266(5) Uani 1 1 d . . . . .
C33 C 0.0044(2) 0.14580(14) 0.50531(14) 0.0376(6) Uani 1 1 d . . . . .
H331 H -0.054606 0.173237 0.481069 0.045 Uiso 1 1 calc R U . . .
C34 C -0.0298(2) 0.09626(14) 0.54446(14) 0.0421(7) Uani 1 1 d . . . . .
H341 H -0.112028 0.089261 0.546372 0.051 Uiso 1 1 calc R U . . .
C35 C 0.0540(2) 0.05707(13) 0.58062(12) 0.0342(6) Uani 1 1 d . . . . .
H351 H 0.029227 0.022897 0.607264 0.041 Uiso 1 1 calc R U . . .
C36 C 0.1759(2) 0.06672(11) 0.57883(11) 0.0245(5) Uani 1 1 d . . . . .
C37 C 0.1594(2) 0.20604(14) 0.45353(13) 0.0387(6) Uani 1 1 d . . . . .
H371 H 0.182465 0.181587 0.417134 0.058 Uiso 1 1 calc R U . . .
H372 H 0.226797 0.233212 0.473863 0.058 Uiso 1 1 calc R U . . .
H373 H 0.091748 0.235821 0.438761 0.058 Uiso 1 1 calc R U . . .
C38 C 0.2664(2) 0.02317(12) 0.61847(12) 0.0352(6) Uani 1 1 d . . . . .
H381 H 0.344391 0.029507 0.604803 0.053 Uiso 1 1 calc R U . . .
H382 H 0.242642 -0.024422 0.613144 0.053 Uiso 1 1 calc R U . . .
H383 H 0.271380 0.035921 0.663398 0.053 Uiso 1 1 calc R U . . .
C41 C 0.6911(2) 0.14002(13) 0.84563(12) 0.0367(6) Uani 1 1 d . . . . .
H411 H 0.633086 0.135863 0.875225 0.055 Uiso 1 1 calc R U . . .
H412 H 0.769450 0.151445 0.869436 0.055 Uiso 1 1 calc R U . . .
H413 H 0.696353 0.096974 0.823277 0.055 Uiso 1 1 calc R U . . .
C42 C 0.65172(19) 0.19535(11) 0.79759(10) 0.0227(4) Uani 1 1 d . . . . .
C43 C 0.72642(19) 0.25217(12) 0.80049(11) 0.0258(5) Uani 1 1 d . . . . .
H431 H 0.804669 0.246748 0.823168 0.031 Uiso 1 1 calc R U . . .
C44 C 0.69890(19) 0.31514(11) 0.77405(10) 0.0231(4) Uani 1 1 d . . . . .
C45 C 0.7765(2) 0.37416(13) 0.80050(12) 0.0321(5) Uani 1 1 d . . . . .
H451 H 0.811994 0.395366 0.766075 0.048 Uiso 1 1 calc R U . . .
H452 H 0.839997 0.357775 0.833442 0.048 Uiso 1 1 calc R U . . .
H453 H 0.727756 0.407458 0.819068 0.048 Uiso 1 1 calc R U . . .
C51 C 0.48185(19) 0.12969(11) 0.76928(10) 0.0204(4) Uani 1 1 d . . . . .
C52 C 0.5086(2) 0.06893(11) 0.74044(10) 0.0248(5) Uani 1 1 d . . . . .
C53 C 0.4544(2) 0.00989(12) 0.75722(12) 0.0323(5) Uani 1 1 d . . . . .
H531 H 0.473512 -0.031923 0.739097 0.039 Uiso 1 1 calc R U . . .
C54 C 0.3733(2) 0.01072(13) 0.79975(13) 0.0374(6) Uani 1 1 d . . . . .
H541 H 0.337971 -0.030192 0.811164 0.045 Uiso 1 1 calc R U . . .
C55 C 0.3442(2) 0.07158(13) 0.82548(12) 0.0346(6) Uani 1 1 d . . . . .
H551 H 0.286628 0.072231 0.853634 0.042 Uiso 1 1 calc R U . . .
C56 C 0.3974(2) 0.13196(11) 0.81109(10) 0.0250(5) Uani 1 1 d . . . . .
C57 C 0.5951(2) 0.06719(12) 0.69307(12) 0.0322(5) Uani 1 1 d . . . . .
H571 H 0.602118 0.020720 0.677912 0.048 Uiso 1 1 calc R U . . .
H572 H 0.673396 0.083076 0.713606 0.048 Uiso 1 1 calc R U . . .
H573 H 0.566091 0.096641 0.656898 0.048 Uiso 1 1 calc R U . . .
C58 C 0.3681(2) 0.19752(12) 0.84141(11) 0.0313(5) Uani 1 1 d . . . . .
H581 H 0.438256 0.213480 0.870269 0.047 Uiso 1 1 calc R U . . .
H582 H 0.302058 0.190283 0.865515 0.047 Uiso 1 1 calc R U . . .
H583 H 0.345055 0.231477 0.808187 0.047 Uiso 1 1 calc R U . . .
C61 C 0.56959(19) 0.39606(10) 0.71746(10) 0.0206(4) Uani 1 1 d . . . . .
C62 C 0.4825(2) 0.42302(11) 0.75092(11) 0.0255(5) Uani 1 1 d . . . . .
C63 C 0.4461(2) 0.48948(12) 0.73880(12) 0.0343(6) Uani 1 1 d . . . . .
H631 H 0.387005 0.508213 0.760953 0.041 Uiso 1 1 calc R U . . .
C64 C 0.4938(3) 0.52889(12) 0.69528(12) 0.0385(6) Uani 1 1 d . . . . .
H641 H 0.466016 0.573808 0.686698 0.046 Uiso 1 1 calc R U . . .
C65 C 0.5817(2) 0.50270(12) 0.66442(11) 0.0325(5) Uani 1 1 d . . . . .
H651 H 0.616002 0.530312 0.635336 0.039 Uiso 1 1 calc R U . . .
C66 C 0.6216(2) 0.43628(11) 0.67510(10) 0.0253(5) Uani 1 1 d . . . . .
C67 C 0.4335(2) 0.38233(13) 0.80094(12) 0.0336(5) Uani 1 1 d . . . . .
H671 H 0.493352 0.379490 0.839285 0.050 Uiso 1 1 calc R U . . .
H672 H 0.413627 0.336664 0.784691 0.050 Uiso 1 1 calc R U . . .
H673 H 0.361503 0.404329 0.811446 0.050 Uiso 1 1 calc R U . . .
C68 C 0.7194(2) 0.41012(13) 0.64132(12) 0.0328(5) Uani 1 1 d . . . . .
H681 H 0.794215 0.433246 0.657676 0.049 Uiso 1 1 calc R U . . .
H682 H 0.699003 0.418710 0.595508 0.049 Uiso 1 1 calc R U . . .
H683 H 0.728935 0.361330 0.648721 0.049 Uiso 1 1 calc R U . . .
C71 C 0.23378(18) 0.22417(11) 0.68090(10) 0.0198(4) Uani 1 1 d . . . . .
C72 C 0.1511(2) 0.17805(12) 0.69743(11) 0.0263(5) Uani 1 1 d . . . . .
H721 H 0.163773 0.131011 0.692002 0.032 Uiso 1 1 calc R U . . .
C73 C 0.0501(2) 0.19949(14) 0.72178(12) 0.0333(6) Uani 1 1 d . . . . .
H731 H -0.005537 0.167076 0.732454 0.040 Uiso 1 1 calc R U . . .
C74 C 0.0304(2) 0.26697(15) 0.73042(14) 0.0412(6) Uani 1 1 d . . . . .
H741 H -0.039296 0.281696 0.746222 0.049 Uiso 1 1 calc R U . . .
C75 C 0.1128(3) 0.31307(14) 0.71594(15) 0.0454(7) Uani 1 1 d . . . . .
H751 H 0.100120 0.359936 0.722379 0.054 Uiso 1 1 calc R U . . .
C76 C 0.2145(2) 0.29233(12) 0.69198(12) 0.0313(5) Uani 1 1 d . . . . .
H761 H 0.271206 0.325002 0.683124 0.038 Uiso 1 1 calc R U . . .
C81 C 0.3688(2) 0.35182(11) 0.57032(10) 0.0239(5) Uani 1 1 d . . . . .
C82 C 0.2477(2) 0.33860(14) 0.55793(12) 0.0343(6) Uani 1 1 d . . . . .
H821 H 0.217736 0.296605 0.570522 0.041 Uiso 1 1 calc R U . . .
C83 C 0.1696(3) 0.38652(17) 0.52717(15) 0.0517(8) Uani 1 1 d . . . . .
H831 H 0.086475 0.377348 0.520009 0.062 Uiso 1 1 calc R U . . .
C84 C 0.2107(3) 0.44682(16) 0.50697(15) 0.0573(9) Uani 1 1 d . . . . .
H841 H 0.156626 0.479407 0.486265 0.069 Uiso 1 1 calc R U . . .
C85 C 0.3305(3) 0.45937(14) 0.51707(13) 0.0480(8) Uani 1 1 d . . . . .
H851 H 0.360052 0.500617 0.502573 0.058 Uiso 1 1 calc R U . . .
C86 C 0.4088(3) 0.41267(12) 0.54812(11) 0.0340(6) Uani 1 1 d . . . . .
H861 H 0.491831 0.422198 0.554511 0.041 Uiso 1 1 calc R U . . .
H5 H 0.518(2) 0.3143(11) 0.5929(10) 0.011(5) Uiso 1 1 d . . . . .
H6 H 0.346(2) 0.1586(12) 0.6695(11) 0.018(6) 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'
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
N2 Rh1 N1 89.92(7) . .
N2 Rh1 N5 158.09(7) . .
N1 Rh1 N5 93.83(7) . .
N2 Rh1 N6 96.91(7) . .
N1 Rh1 N6 163.14(7) . .
N5 Rh1 N6 85.57(7) . .
N2 Rh1 Rh2 142.88(5) . .
N1 Rh1 Rh2 116.57(5) . .
N5 Rh1 Rh2 51.70(5) . .
N6 Rh1 Rh2 50.92(5) . .
N4 Rh2 N3 89.78(7) . .
N4 Rh2 N6 162.10(7) . .
N3 Rh2 N6 93.10(7) . .
N4 Rh2 N5 95.37(7) . .
N3 Rh2 N5 165.63(7) . .
N6 Rh2 N5 86.11(7) . .
N4 Rh2 Rh1 139.49(5) . .
N3 Rh2 Rh1 118.15(5) . .
N6 Rh2 Rh1 52.34(5) . .
N5 Rh2 Rh1 51.00(5) . .
C12 N1 C21 114.10(16) . .
C12 N1 Rh1 125.84(14) . .
C21 N1 Rh1 119.85(12) . .
C14 N2 C31 114.78(17) . .
C14 N2 Rh1 127.34(14) . .
C31 N2 Rh1 116.80(13) . .
C42 N3 C51 113.89(17) . .
C42 N3 Rh2 124.72(14) . .
C51 N3 Rh2 121.20(13) . .
C44 N4 C61 116.43(17) . .
C44 N4 Rh2 125.93(15) . .
C61 N4 Rh2 116.63(13) . .
C81 N5 Rh1 115.40(14) . .
C81 N5 Rh2 138.46(14) . .
Rh1 N5 Rh2 77.29(6) . .
C81 N5 H5 108.3(16) . .
Rh1 N5 H5 109.3(16) . .
Rh2 N5 H5 103.2(16) . .
C71 N6 Rh2 115.76(13) . .
C71 N6 Rh1 139.18(14) . .
Rh2 N6 Rh1 76.73(6) . .
C71 N6 H6 105.8(15) . .
Rh2 N6 H6 112.4(15) . .
Rh1 N6 H6 103.8(15) . .
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 124.27(19) . .
N1 C12 C11 120.14(19) . .
C13 C12 C11 115.57(18) . .
C14 C13 C12 127.87(19) . .
C14 C13 H131 116.1 . .
C12 C13 H131 116.1 . .
N2 C14 C13 123.00(19) . .
N2 C14 C15 120.04(19) . .
C13 C14 C15 116.93(19) . .
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 . .
C22 C21 C26 121.6(2) . .
C22 C21 N1 119.17(19) . .
C26 C21 N1 119.10(19) . .
C21 C22 C23 118.5(2) . .
C21 C22 C27 120.8(2) . .
C23 C22 C27 120.6(2) . .
C24 C23 C22 120.8(2) . .
C24 C23 H231 119.6 . .
C22 C23 H231 119.6 . .
C23 C24 C25 120.1(2) . .
C23 C24 H241 119.9 . .
C25 C24 H241 119.9 . .
C24 C25 C26 121.1(2) . .
C24 C25 H251 119.4 . .
C26 C25 H251 119.4 . .
C25 C26 C21 117.7(2) . .
C25 C26 C28 121.1(2) . .
C21 C26 C28 121.2(2) . .
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 . .
C36 C31 C32 121.1(2) . .
C36 C31 N2 120.56(19) . .
C32 C31 N2 118.20(19) . .
C33 C32 C31 118.4(2) . .
C33 C32 C37 120.3(2) . .
C31 C32 C37 121.2(2) . .
C34 C33 C32 120.9(2) . .
C34 C33 H331 119.5 . .
C32 C33 H331 119.5 . .
C35 C34 C33 120.4(2) . .
C35 C34 H341 119.8 . .
C33 C34 H341 119.8 . .
C34 C35 C36 120.8(2) . .
C34 C35 H351 119.6 . .
C36 C35 H351 119.6 . .
C31 C36 C35 118.3(2) . .
C31 C36 C38 121.6(2) . .
C35 C36 C38 120.1(2) . .
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 124.2(2) . .
N3 C42 C41 120.0(2) . .
C43 C42 C41 115.7(2) . .
C44 C43 C42 127.2(2) . .
C44 C43 H431 116.4 . .
C42 C43 H431 116.4 . .
N4 C44 C43 123.0(2) . .
N4 C44 C45 119.6(2) . .
C43 C44 C45 117.3(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 121.2(2) . .
C56 C51 N3 119.31(19) . .
C52 C51 N3 119.37(19) . .
C53 C52 C51 118.3(2) . .
C53 C52 C57 120.6(2) . .
C51 C52 C57 121.1(2) . .
C54 C53 C52 121.4(2) . .
C54 C53 H531 119.3 . .
C52 C53 H531 119.3 . .
C53 C54 C55 119.4(2) . .
C53 C54 H541 120.3 . .
C55 C54 H541 120.3 . .
C54 C55 C56 121.5(2) . .
C54 C55 H551 119.3 . .
C56 C55 H551 119.3 . .
C55 C56 C51 118.2(2) . .
C55 C56 C58 120.8(2) . .
C51 C56 C58 121.0(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 . .
C66 C61 C62 120.5(2) . .
C66 C61 N4 121.17(19) . .
C62 C61 N4 118.34(19) . .
C63 C62 C61 118.5(2) . .
C63 C62 C67 120.3(2) . .
C61 C62 C67 121.1(2) . .
C64 C63 C62 121.4(2) . .
C64 C63 H631 119.3 . .
C62 C63 H631 119.3 . .
C65 C64 C63 119.5(2) . .
C65 C64 H641 120.2 . .
C63 C64 H641 120.2 . .
C64 C65 C66 121.1(2) . .
C64 C65 H651 119.4 . .
C66 C65 H651 119.4 . .
C61 C66 C65 118.8(2) . .
C61 C66 C68 121.8(2) . .
C65 C66 C68 119.4(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 . .
C72 C71 C76 117.6(2) . .
C72 C71 N6 119.93(19) . .
C76 C71 N6 122.31(19) . .
C71 C72 C73 121.3(2) . .
C71 C72 H721 119.4 . .
C73 C72 H721 119.4 . .
C74 C73 C72 120.4(2) . .
C74 C73 H731 119.8 . .
C72 C73 H731 119.8 . .
C73 C74 C75 119.1(2) . .
C73 C74 H741 120.5 . .
C75 C74 H741 120.5 . .
C74 C75 C76 121.1(2) . .
C74 C75 H751 119.4 . .
C76 C75 H751 119.4 . .
C75 C76 C71 120.5(2) . .
C75 C76 H761 119.7 . .
C71 C76 H761 119.7 . .
C82 C81 C86 117.6(2) . .
C82 C81 N5 122.7(2) . .
C86 C81 N5 119.6(2) . .
C81 C82 C83 120.3(3) . .
C81 C82 H821 119.9 . .
C83 C82 H821 119.9 . .
C84 C83 C82 121.1(3) . .
C84 C83 H831 119.5 . .
C82 C83 H831 119.5 . .
C85 C84 C83 119.0(3) . .
C85 C84 H841 120.5 . .
C83 C84 H841 120.5 . .
C84 C85 C86 120.5(3) . .
C84 C85 H851 119.7 . .
C86 C85 H851 119.7 . .
C85 C86 C81 121.4(3) . .
C85 C86 H861 119.3 . .
C81 C86 H861 119.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N2 2.0199(17) .
Rh1 N1 2.0384(16) .
Rh1 N5 2.0409(17) .
Rh1 N6 2.0836(17) .
Rh1 Rh2 2.5616(2) .
Rh2 N4 2.0261(17) .
Rh2 N3 2.0292(17) .
Rh2 N6 2.0431(17) .
Rh2 N5 2.0609(17) .
N1 C12 1.327(3) .
N1 C21 1.444(3) .
N2 C14 1.343(3) .
N2 C31 1.446(3) .
N3 C42 1.329(3) .
N3 C51 1.445(3) .
N4 C44 1.343(3) .
N4 C61 1.445(3) .
N5 C81 1.423(3) .
N5 H5 0.80(2) .
N6 C71 1.428(3) .
N6 H6 0.86(2) .
C11 C12 1.519(3) .
C11 H111 0.9800 .
C11 H112 0.9800 .
C11 H113 0.9800 .
C12 C13 1.404(3) .
C13 C14 1.384(3) .
C13 H131 0.9500 .
C14 C15 1.510(3) .
C15 H151 0.9800 .
C15 H152 0.9800 .
C15 H153 0.9800 .
C21 C22 1.396(3) .
C21 C26 1.402(3) .
C22 C23 1.393(3) .
C22 C27 1.504(3) .
C23 C24 1.380(4) .
C23 H231 0.9500 .
C24 C25 1.380(4) .
C24 H241 0.9500 .
C25 C26 1.400(3) .
C25 H251 0.9500 .
C26 C28 1.496(3) .
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 C36 1.397(3) .
C31 C32 1.398(3) .
C32 C33 1.393(3) .
C32 C37 1.501(3) .
C33 C34 1.377(4) .
C33 H331 0.9500 .
C34 C35 1.368(4) .
C34 H341 0.9500 .
C35 C36 1.403(3) .
C35 H351 0.9500 .
C36 C38 1.497(3) .
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 1.516(3) .
C41 H411 0.9800 .
C41 H412 0.9800 .
C41 H413 0.9800 .
C42 C43 1.402(3) .
C43 C44 1.381(3) .
C43 H431 0.9500 .
C44 C45 1.517(3) .
C45 H451 0.9800 .
C45 H452 0.9800 .
C45 H453 0.9800 .
C51 C56 1.401(3) .
C51 C52 1.401(3) .
C52 C53 1.390(3) .
C52 C57 1.508(3) .
C53 C54 1.383(4) .
C53 H531 0.9500 .
C54 C55 1.381(4) .
C54 H541 0.9500 .
C55 C56 1.392(3) .
C55 H551 0.9500 .
C56 C58 1.506(3) .
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 C66 1.396(3) .
C61 C62 1.406(3) .
C62 C63 1.389(3) .
C62 C67 1.504(3) .
C63 C64 1.380(4) .
C63 H631 0.9500 .
C64 C65 1.375(4) .
C64 H641 0.9500 .
C65 C66 1.395(3) .
C65 H651 0.9500 .
C66 C68 1.502(3) .
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 1.390(3) .
C71 C76 1.390(3) .
C72 C73 1.393(3) .
C72 H721 0.9500 .
C73 C74 1.369(4) .
C73 H731 0.9500 .
C74 C75 1.373(4) .
C74 H741 0.9500 .
C75 C76 1.391(3) .
C75 H751 0.9500 .
C76 H761 0.9500 .
C81 C82 1.385(3) .
C81 C86 1.392(3) .
C82 C83 1.390(4) .
C82 H821 0.9500 .
C83 C84 1.371(5) .
C83 H831 0.9500 .
C84 C85 1.367(5) .
C84 H841 0.9500 .
C85 C86 1.378(4) .
C85 H851 0.9500 .
C86 H861 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 -178.4(2) . . . .
Rh1 N1 C12 C13 6.9(3) . . . .
C21 N1 C12 C11 0.0(3) . . . .
Rh1 N1 C12 C11 -174.72(15) . . . .
N1 C12 C13 C14 7.0(4) . . . .
C11 C12 C13 C14 -171.5(2) . . . .
C31 N2 C14 C13 166.2(2) . . . .
Rh1 N2 C14 C13 -1.4(3) . . . .
C31 N2 C14 C15 -11.9(3) . . . .
Rh1 N2 C14 C15 -179.56(15) . . . .
C12 C13 C14 N2 -9.9(4) . . . .
C12 C13 C14 C15 168.3(2) . . . .
C12 N1 C21 C22 87.1(2) . . . .
Rh1 N1 C21 C22 -97.87(19) . . . .
C12 N1 C21 C26 -88.3(2) . . . .
Rh1 N1 C21 C26 86.8(2) . . . .
C26 C21 C22 C23 2.2(3) . . . .
N1 C21 C22 C23 -173.03(19) . . . .
C26 C21 C22 C27 178.4(2) . . . .
N1 C21 C22 C27 3.1(3) . . . .
C21 C22 C23 C24 1.4(3) . . . .
C27 C22 C23 C24 -174.8(2) . . . .
C22 C23 C24 C25 -2.5(4) . . . .
C23 C24 C25 C26 0.1(4) . . . .
C24 C25 C26 C21 3.3(3) . . . .
C24 C25 C26 C28 -176.9(2) . . . .
C22 C21 C26 C25 -4.5(3) . . . .
N1 C21 C26 C25 170.76(19) . . . .
C22 C21 C26 C28 175.7(2) . . . .
N1 C21 C26 C28 -9.0(3) . . . .
C14 N2 C31 C36 87.0(2) . . . .
Rh1 N2 C31 C36 -104.01(19) . . . .
C14 N2 C31 C32 -89.3(2) . . . .
Rh1 N2 C31 C32 79.7(2) . . . .
C36 C31 C32 C33 1.0(3) . . . .
N2 C31 C32 C33 177.2(2) . . . .
C36 C31 C32 C37 -175.3(2) . . . .
N2 C31 C32 C37 1.0(3) . . . .
C31 C32 C33 C34 -1.8(4) . . . .
C37 C32 C33 C34 174.4(2) . . . .
C32 C33 C34 C35 1.2(4) . . . .
C33 C34 C35 C36 0.3(4) . . . .
C32 C31 C36 C35 0.5(3) . . . .
N2 C31 C36 C35 -175.65(19) . . . .
C32 C31 C36 C38 179.0(2) . . . .
N2 C31 C36 C38 2.9(3) . . . .
C34 C35 C36 C31 -1.2(3) . . . .
C34 C35 C36 C38 -179.7(2) . . . .
C51 N3 C42 C43 -174.1(2) . . . .
Rh2 N3 C42 C43 10.9(3) . . . .
C51 N3 C42 C41 1.1(3) . . . .
Rh2 N3 C42 C41 -173.89(17) . . . .
N3 C42 C43 C44 12.3(4) . . . .
C41 C42 C43 C44 -163.2(2) . . . .
C61 N4 C44 C43 164.7(2) . . . .
Rh2 N4 C44 C43 -3.3(3) . . . .
C61 N4 C44 C45 -12.2(3) . . . .
Rh2 N4 C44 C45 179.81(15) . . . .
C42 C43 C44 N4 -16.3(4) . . . .
C42 C43 C44 C45 160.6(2) . . . .
C42 N3 C51 C56 92.5(2) . . . .
Rh2 N3 C51 C56 -92.3(2) . . . .
C42 N3 C51 C52 -83.3(2) . . . .
Rh2 N3 C51 C52 91.9(2) . . . .
C56 C51 C52 C53 -3.8(3) . . . .
N3 C51 C52 C53 172.0(2) . . . .
C56 C51 C52 C57 177.1(2) . . . .
N3 C51 C52 C57 -7.2(3) . . . .
C51 C52 C53 C54 1.9(4) . . . .
C57 C52 C53 C54 -178.9(2) . . . .
C52 C53 C54 C55 0.9(4) . . . .
C53 C54 C55 C56 -2.0(4) . . . .
C54 C55 C56 C51 0.2(4) . . . .
C54 C55 C56 C58 -177.7(2) . . . .
C52 C51 C56 C55 2.7(3) . . . .
N3 C51 C56 C55 -173.0(2) . . . .
C52 C51 C56 C58 -179.4(2) . . . .
N3 C51 C56 C58 4.9(3) . . . .
C44 N4 C61 C66 86.7(2) . . . .
Rh2 N4 C61 C66 -104.1(2) . . . .
C44 N4 C61 C62 -92.4(2) . . . .
Rh2 N4 C61 C62 76.7(2) . . . .
C66 C61 C62 C63 2.7(3) . . . .
N4 C61 C62 C63 -178.2(2) . . . .
C66 C61 C62 C67 -174.5(2) . . . .
N4 C61 C62 C67 4.6(3) . . . .
C61 C62 C63 C64 -0.3(4) . . . .
C67 C62 C63 C64 176.9(2) . . . .
C62 C63 C64 C65 -1.9(4) . . . .
C63 C64 C65 C66 1.7(4) . . . .
C62 C61 C66 C65 -2.8(3) . . . .
N4 C61 C66 C65 178.0(2) . . . .
C62 C61 C66 C68 176.7(2) . . . .
N4 C61 C66 C68 -2.5(3) . . . .
C64 C65 C66 C61 0.7(4) . . . .
C64 C65 C66 C68 -178.9(2) . . . .
Rh2 N6 C71 C72 -142.98(17) . . . .
Rh1 N6 C71 C72 117.3(2) . . . .
Rh2 N6 C71 C76 31.9(3) . . . .
Rh1 N6 C71 C76 -67.8(3) . . . .
C76 C71 C72 C73 2.6(3) . . . .
N6 C71 C72 C73 177.7(2) . . . .
C71 C72 C73 C74 -0.5(4) . . . .
C72 C73 C74 C75 -1.3(4) . . . .
C73 C74 C75 C76 0.8(5) . . . .
C74 C75 C76 C71 1.3(4) . . . .
C72 C71 C76 C75 -3.0(4) . . . .
N6 C71 C76 C75 -178.0(2) . . . .
Rh1 N5 C81 C82 37.4(3) . . . .
Rh2 N5 C81 C82 -62.4(3) . . . .
Rh1 N5 C81 C86 -138.39(18) . . . .
Rh2 N5 C81 C86 121.9(2) . . . .
C86 C81 C82 C83 -3.1(4) . . . .
N5 C81 C82 C83 -178.9(2) . . . .
C81 C82 C83 C84 1.7(5) . . . .
C82 C83 C84 C85 0.5(5) . . . .
C83 C84 C85 C86 -1.2(5) . . . .
C84 C85 C86 C81 -0.3(4) . . . .
C82 C81 C86 C85 2.4(4) . . . .
N5 C81 C86 C85 178.4(2) . . . .
