#------------------------------------------------------------------------------
#$Date: 2018-09-24 09:49:13 +0300 (Mon, 24 Sep 2018) $
#$Revision: 211137 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/35/1543591.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_1543591
loop_
_publ_author_name
'Jack M. Carraher'
'Arkady Ellern'
'Andreja Bakac'
_publ_section_title
;
 Preparation and reactivity of macrocyclic rhodium(III) alkyl complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              254
_journal_page_last               258
_journal_paper_doi               10.1016/j.ica.2013.09.022
_journal_volume                  409B
_journal_year                    2014
_chemical_formula_sum            'C34 H54 Cl4 N8 O18 Rh2'
_chemical_formula_weight         1210.47
_chemical_name_common            'Integration of Bak034'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'APEX2 v2012.4-3'
_cell_angle_alpha                90
_cell_angle_beta                 104.6980(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.7567(9)
_cell_length_b                   18.9758(10)
_cell_length_c                   15.5961(8)
_cell_measurement_temperature    173.(2)
_cell_volume                     4796.8(4)
_computing_cell_refinement       'SAINT V7.66A (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 Suite (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT V7.66A (Bruker AXS, 2009)'
_computing_molecular_graphics    'XSHELL (Bruker AXS, 2007)'
_computing_publication_material  'APEX2 Suite (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173.(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  ' BRUKER APEX2 CCD Diffractometer'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            48895
_diffrn_reflns_theta_full        28.13
_diffrn_reflns_theta_max         28.13
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    0.989
_exptl_absorpt_correction_T_max  0.90
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2464
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.126
_refine_diff_density_min         -1.033
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         11734
_refine_ls_number_restraints     432
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.1079
_refine_ls_R_factor_gt           0.0822
_refine_ls_shift/su_max          0.052
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1197P)²+22.1278P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2196
_refine_ls_wR_factor_ref         0.2418
_reflns_number_gt                8613
_reflns_number_total             11734
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2014-409B-254-258-2.cif
_cod_data_source_block           bak034
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value 'doi:10.1016/j.ica.2013.09.022' was
changed to '10.1016/j.ica.2013.09.022'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_database_code               1543591
_cod_database_fobs_code          1543591
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh Rh1 0.50440(4) 0.42115(3) 0.77394(4) 0.04646(18) Uani d . 1 . .
Rh Rh2 0.02604(3) 0.37391(3) 0.31579(3) 0.03549(16) Uani d . 1 . .
Cl Cl1 0.42530(16) 0.36178(14) 0.55441(15) 0.0725(7) Uani d . 1 . .
Cl Cl2 0.6431(2) 0.17987(14) 0.64033(18) 0.0820(8) Uani d . 1 . .
Cl Cl3 0.10861(16) 0.62173(12) 0.11234(15) 0.0674(6) Uani d . 1 . .
Cl Cl4 0.83656(15) 0.66790(12) 0.29869(14) 0.0652(6) Uani d . 1 . .
C C1 0.5299(10) 0.2747(9) 0.8636(11) 0.133(3) Uani d DU 1 . .
H H1A 0.5514 0.2265 0.8603 0.16 Uiso calc R 1 . .
H H1B 0.5541 0.2928 0.9242 0.16 Uiso calc R 1 . .
C C2 0.4416(10) 0.2711(9) 0.8492(12) 0.131(3) Uani d DU 1 . .
H H2 0.4114 0.2293 0.8289 0.157 Uiso calc R 1 . .
C C3 0.4018(10) 0.3350(7) 0.8673(9) 0.116(2) Uani d DU 1 . .
H H3A 0.4337 0.3552 0.9243 0.14 Uiso calc R 1 . .
H H3B 0.3458 0.3236 0.8733 0.14 Uiso calc R 1 . .
C C4 0.3490(8) 0.4500(7) 0.8063(10) 0.110(2) Uani d DU 1 . .
H H4A 0.3703 0.4704 0.8662 0.132 Uiso calc R 1 . .
H H4B 0.2901 0.438 0.7984 0.132 Uiso calc R 1 . .
C C5 0.3582(9) 0.5006(8) 0.7388(10) 0.123(3) Uani d DU 1 . .
H H5A 0.3288 0.4821 0.6799 0.147 Uiso calc R 1 . .
H H5B 0.3311 0.5452 0.7482 0.147 Uiso calc R 1 . .
C C6 0.4850(9) 0.5593(10) 0.6800(11) 0.133(3) Uani d DU 1 . .
H H6A 0.4688 0.6091 0.6849 0.16 Uiso calc R 1 . .
H H6B 0.461 0.5447 0.6179 0.16 Uiso calc R 1 . .
C C7 0.5780(9) 0.5575(8) 0.6959(12) 0.128(3) Uani d DU 1 . .
H H7A 0.5938 0.5896 0.6529 0.154 Uiso calc R 1 . .
H H7B 0.6029 0.5763 0.756 0.154 Uiso calc R 1 . .
C C8 0.6134(12) 0.4887(8) 0.6887(12) 0.137(3) Uani d DU 1 . .
H H8A 0.5823 0.4698 0.6306 0.165 Uiso calc R 1 . .
H H8B 0.67 0.4979 0.683 0.165 Uiso calc R 1 . .
C C9 0.6599(11) 0.3654(8) 0.7518(11) 0.125(3) Uani d DU 1 . .
H H9A 0.7201 0.3723 0.7613 0.15 Uiso calc R 1 . .
H H9B 0.6394 0.3409 0.6944 0.15 Uiso calc R 1 . .
C C10 0.6452(9) 0.3207(9) 0.8224(11) 0.129(3) Uani d DU 1 . .
H H10A 0.6684 0.2729 0.8208 0.155 Uiso calc R 1 . .
H H10B 0.6682 0.3418 0.8816 0.155 Uiso calc R 1 . .
C C11 0.5481(6) 0.4576(6) 0.9028(6) 0.073(2) Uani d U 1 . .
H H11A 0.5001 0.4767 0.9215 0.087 Uiso calc R 1 . .
H H11B 0.5678 0.4161 0.9407 0.087 Uiso calc R 1 . .
C C12 0.6140(7) 0.5114(6) 0.9245(6) 0.0722(17) Uani d U 1 . .
C C13 0.6954(7) 0.4908(7) 0.9575(6) 0.0808(19) Uani d U 1 . .
H H13 0.7067 0.4418 0.9639 0.097 Uiso calc R 1 . .
C C14 0.7607(8) 0.5365(7) 0.9815(8) 0.094(2) Uani d U 1 . .
H H14 0.8151 0.5195 1.0055 0.112 Uiso calc R 1 . .
C C15 0.7462(9) 0.6044(8) 0.9704(9) 0.100(2) Uani d U 1 . .
H H15 0.7919 0.6357 0.9845 0.119 Uiso calc R 1 . .
C C16 0.6731(9) 0.6310(7) 0.9413(8) 0.097(2) Uani d U 1 . .
H H16 0.6663 0.6806 0.9355 0.117 Uiso calc R 1 . .
C C17 0.5999(8) 0.5842(6) 0.9170(7) 0.087(2) Uani d U 1 . .
H H17 0.5458 0.6028 0.8972 0.105 Uiso calc R 1 . .
C C18 -0.0341(6) 0.4669(6) 0.1682(6) 0.0733(17) Uani d DU 1 . .
H H18A -0.0283 0.5115 0.1375 0.088 Uiso calc R 1 . .
H H18B -0.0568 0.4309 0.1226 0.088 Uiso calc R 1 . .
C C19 -0.0929(6) 0.4776(5) 0.2269(6) 0.0662(16) Uani d DU 1 . .
H H19A -0.0735 0.5163 0.2696 0.079 Uiso calc R 1 . .
H H19B -0.149 0.4892 0.1907 0.079 Uiso calc R 1 . .
C C20 -0.1385(6) 0.4108(5) 0.3459(7) 0.0665(16) Uani d DU 1 . .
H H20A -0.1185 0.451 0.3861 0.08 Uiso calc R 1 . .
H H20B -0.1981 0.418 0.3188 0.08 Uiso calc R 1 . .
C C21 -0.1272(7) 0.3449(6) 0.3982(7) 0.0749(18) Uani d DU 1 . .
H H21 -0.1748 0.3164 0.3932 0.09 Uiso calc R 1 . .
C C22 -0.0496(7) 0.3186(6) 0.4572(7) 0.0776(18) Uani d U 1 . .
H H22 -0.0353 0.3151 0.52 0.093 Uiso calc R 1 . .
C C23 0.0883(6) 0.2593(5) 0.4511(7) 0.0660(18) Uani d U 1 . .
H H23A 0.093 0.2564 0.5156 0.079 Uiso calc R 1 . .
H H23B 0.0883 0.2107 0.428 0.079 Uiso calc R 1 . .
C C24 0.1612(5) 0.2996(5) 0.4351(6) 0.0565(15) Uani d U 1 . .
H H24A 0.1752 0.3395 0.4772 0.068 Uiso calc R 1 . .
H H24B 0.2099 0.2683 0.4444 0.068 Uiso calc R 1 . .
C C25 0.2031(5) 0.3693(5) 0.3178(6) 0.0568(15) Uani d DU 1 . .
H H25A 0.254 0.3408 0.3255 0.068 Uiso calc R 1 . .
H H25B 0.2163 0.4104 0.3579 0.068 Uiso calc R 1 . .
C C26 0.1776(7) 0.3947(6) 0.2253(6) 0.0760(18) Uani d DU 1 . .
H H26 0.2216 0.4035 0.1985 0.091 Uiso calc R 1 . .
C C27 0.0964(6) 0.4082(6) 0.1694(6) 0.0735(17) Uani d DU 1 . .
H H27A 0.0996 0.4388 0.119 0.088 Uiso calc R 1 . .
H H27B 0.0689 0.3635 0.1458 0.088 Uiso calc R 1 . .
C C28 0.0571(5) 0.4499(4) 0.4172(5) 0.0527(15) Uani d U 1 . .
H H28A 0.0052 0.4743 0.4186 0.063 Uiso calc R 1 . .
H H28B 0.075 0.4237 0.4737 0.063 Uiso calc R 1 . .
C C29 0.1191(6) 0.5052(4) 0.4194(5) 0.0538(13) Uani d U 1 . .
C C30 0.1015(7) 0.5682(4) 0.3707(5) 0.0617(16) Uani d U 1 . .
H H30 0.0479 0.5751 0.3329 0.074 Uiso calc R 1 . .
C C31 0.1603(7) 0.6203(5) 0.3764(6) 0.0676(17) Uani d U 1 . .
H H31 0.1467 0.6621 0.3423 0.081 Uiso calc R 1 . .
C C32 0.2394(7) 0.6121(5) 0.4317(6) 0.0702(17) Uani d U 1 . .
H H32 0.2797 0.648 0.4359 0.084 Uiso calc R 1 . .
C C33 0.2574(7) 0.5523(5) 0.4788(6) 0.0688(17) Uani d U 1 . .
H H33 0.3114 0.5457 0.5158 0.083 Uiso calc R 1 . .
C C34 0.1985(6) 0.4998(5) 0.4742(5) 0.0588(15) Uani d U 1 . .
H H34 0.213 0.4589 0.5098 0.071 Uiso calc R 1 . .
N N1 0.5569(8) 0.3197(7) 0.7998(9) 0.128(3) Uani d DU 1 . .
N N2 0.3955(6) 0.3876(5) 0.7965(7) 0.096(2) Uani d DU 1 . .
N N3 0.4439(8) 0.5157(7) 0.7382(9) 0.129(3) Uani d DU 1 . .
N N4 0.6208(9) 0.4332(7) 0.7468(9) 0.129(3) Uani d DU 1 . .
N N5 0.0521(5) 0.4427(4) 0.2247(5) 0.0652(15) Uani d DU 1 . .
N N6 -0.0933(4) 0.4100(4) 0.2738(5) 0.0560(13) Uani d DU 1 . .
N N7 -0.0024(6) 0.3005(5) 0.3994(5) 0.0727(17) Uani d U 1 . .
N N8 0.1394(4) 0.3261(3) 0.3437(5) 0.0516(12) Uani d U 1 . .
O O1 0.4454(9) 0.3646(8) 0.6423(6) 0.177(7) Uani d . 1 . .
O O2 0.3892(11) 0.3134(12) 0.5018(9) 0.242(10) Uani d . 1 . .
O O3 0.3817(14) 0.4210(9) 0.5253(11) 0.242(11) Uani d . 1 . .
O O4 0.5035(8) 0.3719(9) 0.5317(9) 0.168(6) Uani d . 1 . .
O O5 -0.0167(3) 0.2853(3) 0.2140(3) 0.0504(12) Uani d . 1 . .
H H5W -0.0704 0.2897 0.1736 0.076 Uiso d . 1 . .
H H5V 0.0203 0.2496 0.2011 0.076 Uiso d . 1 . .
O O6 0.5775(9) 0.2018(9) 0.6745(11) 0.189(7) Uani d . 1 . .
O O7 0.6696(9) 0.2253(6) 0.5852(10) 0.160(5) Uani d . 1 . .
O O8 0.6190(10) 0.1167(6) 0.5988(8) 0.148(5) Uani d . 1 . .
O O9 0.7097(9) 0.1757(10) 0.7108(11) 0.201(7) Uani d . 1 . .
O O10 0.1497(5) 0.5639(4) 0.1640(5) 0.085(2) Uani d . 1 . .
O O11 0.1657(7) 0.6647(7) 0.0843(8) 0.155(6) Uani d . 1 . .
O O12 0.0733(12) 0.6606(7) 0.1674(6) 0.204(9) Uani d . 1 . .
O O13 0.0485(7) 0.6012(7) 0.0402(6) 0.135(4) Uani d . 1 . .
O O14 0.7665(14) 0.7016(11) 0.3135(12) 0.251(11) Uani d . 1 . .
O O15 0.8402(9) 0.6079(5) 0.3445(7) 0.132(4) Uani d . 1 . .
O O16 0.8983(10) 0.7138(11) 0.3349(8) 0.249(11) Uani d . 1 . .
O O17 0.8288(6) 0.6575(6) 0.2072(5) 0.112(3) Uani d . 1 . .
O O18 0.8433(4) 0.3147(4) 0.0962(5) 0.082(2) Uani d . 1 . .
H H18V 0.8462 0.3015 0.0396 0.123 Uiso d . 1 . .
H H18W 0.7888 0.3055 0.0906 0.123 Uiso d . 1 . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N2 Rh1 N3 . . 85.3(5)
N2 Rh1 C11 . . 92.7(4)
N3 Rh1 C11 . . 90.0(5)
N2 Rh1 N1 . . 91.7(5)
N3 Rh1 N1 . . 174.1(5)
C11 Rh1 N1 . . 95.3(5)
N2 Rh1 N4 . . 168.0(5)
N3 Rh1 N4 . . 105.5(5)
C11 Rh1 N4 . . 92.4(5)
N1 Rh1 N4 . . 77.0(5)
N2 Rh1 O1 . . 79.0(4)
N3 Rh1 O1 . . 95.4(6)
C11 Rh1 O1 . . 169.7(5)
N1 Rh1 O1 . . 79.0(6)
N4 Rh1 O1 . . 94.7(5)
N7 Rh2 N8 . . 85.2(3)
N7 Rh2 N5 . . 176.0(3)
N8 Rh2 N5 . . 94.5(3)
N7 Rh2 N6 . . 93.8(3)
N8 Rh2 N6 . . 171.3(3)
N5 Rh2 N6 . . 85.9(3)
N7 Rh2 C28 . . 92.3(3)
N8 Rh2 C28 . . 96.0(3)
N5 Rh2 C28 . . 91.7(3)
N6 Rh2 C28 . . 92.6(3)
N7 Rh2 O5 . . 81.9(3)
N8 Rh2 O5 . . 86.1(2)
N5 Rh2 O5 . . 94.1(2)
N6 Rh2 O5 . . 85.2(2)
C28 Rh2 O5 . . 173.7(3)
O2 Cl1 O1 . . 130.4(11)
O2 Cl1 O3 . . 104.7(13)
O1 Cl1 O3 . . 106.7(11)
O2 Cl1 O4 . . 104.3(10)
O1 Cl1 O4 . . 103.8(8)
O3 Cl1 O4 . . 104.6(13)
O9 Cl2 O7 . . 102.4(11)
O9 Cl2 O8 . . 114.4(10)
O7 Cl2 O8 . . 111.0(8)
O9 Cl2 O6 . . 105.8(11)
O7 Cl2 O6 . . 117.6(10)
O8 Cl2 O6 . . 105.9(9)
O13 Cl3 O12 . . 109.0(10)
O13 Cl3 O11 . . 109.1(7)
O12 Cl3 O11 . . 108.5(11)
O13 Cl3 O10 . . 113.3(7)
O12 Cl3 O10 . . 106.4(5)
O11 Cl3 O10 . . 110.6(6)
O15 Cl4 O16 . . 113.4(9)
O15 Cl4 O14 . . 103.1(11)
O16 Cl4 O14 . . 102.6(14)
O15 Cl4 O17 . . 113.6(6)
O16 Cl4 O17 . . 112.0(7)
O14 Cl4 O17 . . 111.2(9)
C2 C1 N1 . . 113.7(15)
C2 C1 H1A . . 108.8
N1 C1 H1A . . 108.8
C2 C1 H1B . . 108.8
N1 C1 H1B . . 108.8
H1A C1 H1B . . 107.7
C1 C2 C3 . . 115.9(15)
C1 C2 H2 . . 122.1
C3 C2 H2 . . 122.1
C2 C3 N2 . . 111.7(13)
C2 C3 H3A . . 109.3
N2 C3 H3A . . 109.3
C2 C3 H3B . . 109.3
N2 C3 H3B . . 109.3
H3A C3 H3B . . 107.9
N2 C4 C5 . . 107.7(12)
N2 C4 H4A . . 110.2
C5 C4 H4A . . 110.2
N2 C4 H4B . . 110.2
C5 C4 H4B . . 110.2
H4A C4 H4B . . 108.5
N3 C5 C4 . . 114.5(13)
N3 C5 H5A . . 108.6
C4 C5 H5A . . 108.6
N3 C5 H5B . . 108.6
C4 C5 H5B . . 108.6
H5A C5 H5B . . 107.6
N3 C6 C7 . . 119.6(14)
N3 C6 H6A . . 107.4
C7 C6 H6A . . 107.4
N3 C6 H6B . . 107.4
C7 C6 H6B . . 107.4
H6A C6 H6B . . 106.9
C8 C7 C6 . . 115.5(16)
C8 C7 H7A . . 108.4
C6 C7 H7A . . 108.4
C8 C7 H7B . . 108.4
C6 C7 H7B . . 108.4
H7A C7 H7B . . 107.5
N4 C8 C7 . . 127.5(17)
N4 C8 H8A . . 105.4
C7 C8 H8A . . 105.4
N4 C8 H8B . . 105.5
C7 C8 H8B . . 105.4
H8A C8 H8B . . 106.0
N4 C9 C10 . . 113.5(15)
N4 C9 H9A . . 108.9
C10 C9 H9A . . 108.9
N4 C9 H9B . . 108.9
C10 C9 H9B . . 108.9
H9A C9 H9B . . 107.7
N1 C10 C9 . . 100.6(14)
N1 C10 H10A . . 111.7
C9 C10 H10A . . 111.7
N1 C10 H10B . . 111.6
C9 C10 H10B . . 111.7
H10A C10 H10B . . 109.4
C12 C11 Rh1 . . 120.8(6)
C12 C11 H11A . . 107.1
Rh1 C11 H11A . . 107.1
C12 C11 H11B . . 107.1
Rh1 C11 H11B . . 107.1
H11A C11 H11B . . 106.8
C13 C12 C17 . . 115.9(11)
C13 C12 C11 . . 119.9(11)
C17 C12 C11 . . 124.1(11)
C14 C13 C12 . . 124.4(13)
C14 C13 H13 . . 117.8
C12 C13 H13 . . 117.8
C15 C14 C13 . . 118.4(14)
C15 C14 H14 . . 120.8
C13 C14 H14 . . 120.8
C14 C15 C16 . . 123.7(14)
C14 C15 H15 . . 118.1
C16 C15 H15 . . 118.1
C15 C16 C17 . . 120.1(14)
C15 C16 H16 . . 119.9
C17 C16 H16 . . 119.9
C12 C17 C16 . . 117.3(12)
C12 C17 H17 . . 121.3
C16 C17 H17 . . 121.3
C19 C18 N5 . . 110.4(7)
C19 C18 H18A . . 109.6
N5 C18 H18A . . 109.6
C19 C18 H18B . . 109.6
N5 C18 H18B . . 109.6
H18A C18 H18B . . 108.1
N6 C19 C18 . . 105.5(7)
N6 C19 H19A . . 110.6
C18 C19 H19A . . 110.6
N6 C19 H19B . . 110.6
C18 C19 H19B . . 110.6
H19A C19 H19B . . 108.8
C21 C20 N6 . . 112.7(8)
C21 C20 H20A . . 109.1
N6 C20 H20A . . 109.1
C21 C20 H20B . . 109.1
N6 C20 H20B . . 109.1
H20A C20 H20B . . 107.8
C22 C21 C20 . . 126.8(10)
C22 C21 H21 . . 116.6
C20 C21 H21 . . 116.6
N7 C22 C21 . . 103.6(9)
N7 C22 H22 . . 128.2
C21 C22 H22 . . 128.2
C24 C23 N7 . . 110.3(7)
C24 C23 H23A . . 109.6
N7 C23 H23A . . 109.6
C24 C23 H23B . . 109.6
N7 C23 H23B . . 109.6
H23A C23 H23B . . 108.1
N8 C24 C23 . . 108.7(7)
N8 C24 H24A . . 110.0
C23 C24 H24A . . 110.0
N8 C24 H24B . . 110.0
C23 C24 H24B . . 110.0
H24A C24 H24B . . 108.3
N8 C25 C26 . . 113.4(8)
N8 C25 H25A . . 108.9
C26 C25 H25A . . 108.9
N8 C25 H25B . . 108.9
C26 C25 H25B . . 108.9
H25A C25 H25B . . 107.7
C27 C26 C25 . . 130.0(10)
C27 C26 H26 . . 115.0
C25 C26 H26 . . 115.0
N5 C27 C26 . . 105.7(8)
N5 C27 H27A . . 110.6
C26 C27 H27A . . 110.6
N5 C27 H27B . . 110.6
C26 C27 H27B . . 110.6
H27A C27 H27B . . 108.7
C29 C28 Rh2 . . 122.9(5)
C29 C28 H28A . . 106.6
Rh2 C28 H28A . . 106.6
C29 C28 H28B . . 106.6
Rh2 C28 H28B . . 106.6
H28A C28 H28B . . 106.6
C34 C29 C30 . . 115.6(8)
C34 C29 C28 . . 121.4(8)
C30 C29 C28 . . 122.9(8)
C31 C30 C29 . . 121.7(9)
C31 C30 H30 . . 119.2
C29 C30 H30 . . 119.2
C30 C31 C32 . . 120.6(9)
C30 C31 H31 . . 119.7
C32 C31 H31 . . 119.7
C33 C32 C31 . . 118.6(10)
C33 C32 H32 . . 120.7
C31 C32 H32 . . 120.7
C32 C33 C34 . . 121.2(10)
C32 C33 H33 . . 119.4
C34 C33 H33 . . 119.4
C29 C34 C33 . . 122.3(9)
C29 C34 H34 . . 118.9
C33 C34 H34 . . 118.9
C10 N1 C1 . . 108.5(13)
C10 N1 Rh1 . . 112.9(10)
C1 N1 Rh1 . . 118.3(11)
C4 N2 C3 . . 114.4(11)
C4 N2 Rh1 . . 106.9(8)
C3 N2 Rh1 . . 116.3(9)
C5 N3 C6 . . 134.8(14)
C5 N3 Rh1 . . 104.0(10)
C6 N3 Rh1 . . 111.6(11)
C8 N4 C9 . . 133.2(15)
C8 N4 Rh1 . . 106.3(12)
C9 N4 Rh1 . . 108.9(11)
C27 N5 C18 . . 110.0(7)
C27 N5 Rh2 . . 111.1(6)
C18 N5 Rh2 . . 104.4(6)
C19 N6 C20 . . 115.3(6)
C19 N6 Rh2 . . 108.7(5)
C20 N6 Rh2 . . 113.4(5)
C22 N7 C23 . . 113.0(8)
C22 N7 Rh2 . . 120.6(7)
C23 N7 Rh2 . . 106.7(5)
C24 N8 C25 . . 115.8(6)
C24 N8 Rh2 . . 110.3(5)
C25 N8 Rh2 . . 113.0(5)
Cl1 O1 Rh1 . . 151.4(9)
Rh2 O5 H5W . . 117.6
Rh2 O5 H5V . . 123.3
H5W O5 H5V . . 117.7
H18V O18 H18W . . 98.6
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Rh1 N2 . 2.045(10)
Rh1 N3 . 2.067(14)
Rh1 C11 . 2.075(8)
Rh1 N1 . 2.113(14)
Rh1 N4 . 2.111(15)
Rh1 O1 . 2.305(9)
Rh2 N7 . 2.045(8)
Rh2 N8 . 2.050(6)
Rh2 N5 . 2.055(7)
Rh2 N6 . 2.057(6)
Rh2 C28 . 2.106(7)
Rh2 O5 . 2.299(5)
Cl1 O2 . 1.277(13)
Cl1 O1 . 1.327(10)
Cl1 O3 . 1.354(14)
Cl1 O4 . 1.454(12)
Cl2 O9 . 1.356(13)
Cl2 O7 . 1.369(12)
Cl2 O8 . 1.374(10)
Cl2 O6 . 1.400(12)
Cl3 O13 . 1.363(9)
Cl3 O12 . 1.374(11)
Cl3 O11 . 1.408(11)
Cl3 O10 . 1.430(8)
Cl4 O15 . 1.337(9)
Cl4 O16 . 1.360(11)
Cl4 O14 . 1.406(17)
Cl4 O17 . 1.414(8)
C1 C2 . 1.439(13)
C1 N1 . 1.469(13)
C1 H1A . 0.99
C1 H1B . 0.99
C2 C3 . 1.447(13)
C2 H2 . 0.95
C3 N2 . 1.472(12)
C3 H3A . 0.99
C3 H3B . 0.99
C4 N2 . 1.447(12)
C4 C5 . 1.461(13)
C4 H4A . 0.99
C4 H4B . 0.99
C5 N3 . 1.467(13)
C5 H5A . 0.99
C5 H5B . 0.99
C6 N3 . 1.517(13)
C6 C7 . 1.515(13)
C6 H6A . 0.99
C6 H6B . 0.99
C7 C8 . 1.451(13)
C7 H7A . 0.99
C7 H7B . 0.99
C8 N4 . 1.374(13)
C8 H8A . 0.99
C8 H8B . 0.99
C9 N4 . 1.437(13)
C9 C10 . 1.460(14)
C9 H9A . 0.99
C9 H9B . 0.99
C10 N1 . 1.432(13)
C10 H10A . 0.99
C10 H10B . 0.99
C11 C12 . 1.478(14)
C11 H11A . 0.99
C11 H11B . 0.99
C12 C13 . 1.386(15)
C12 C17 . 1.402(16)
C13 C14 . 1.372(16)
C13 H13 . 0.95
C14 C15 . 1.31(2)
C14 H14 . 0.95
C15 C16 . 1.296(19)
C15 H15 . 0.95
C16 C17 . 1.483(17)
C16 H16 . 0.95
C17 H17 . 0.95
C18 C19 . 1.519(11)
C18 N5 . 1.559(10)
C18 H18A . 0.99
C18 H18B . 0.99
C19 N6 . 1.476(10)
C19 H19A . 0.99
C19 H19B . 0.99
C20 C21 . 1.479(11)
C20 N6 . 1.507(12)
C20 H20A . 0.99
C20 H20B . 0.99
C21 C22 . 1.476(15)
C21 H21 . 0.95
C22 N7 . 1.385(13)
C22 H22 . 0.95
C23 C24 . 1.516(12)
C23 N7 . 1.717(13)
C23 H23A . 0.99
C23 H23B . 0.99
C24 N8 . 1.467(11)
C24 H24A . 0.99
C24 H24B . 0.99
C25 N8 . 1.480(11)
C25 C26 . 1.478(10)
C25 H25A . 0.99
C25 H25B . 0.99
C26 C27 . 1.441(11)
C26 H26 . 0.95
C27 N5 . 1.431(10)
C27 H27A . 0.99
C27 H27B . 0.99
C28 C29 . 1.472(12)
C28 H28A . 0.99
C28 H28B . 0.99
C29 C34 . 1.390(12)
C29 C30 . 1.406(12)
C30 C31 . 1.383(13)
C30 H30 . 0.95
C31 C32 . 1.395(14)
C31 H31 . 0.95
C32 C33 . 1.343(14)
C32 H32 . 0.95
C33 C34 . 1.392(13)
C33 H33 . 0.95
C34 H34 . 0.95
O5 H5W . 0.9626
O5 H5V . 0.9725
O18 H18V . 0.9307
O18 H18W . 0.912
