#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:20:24 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301776 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/30/1513099.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_1513099
loop_
_publ_author_name
'Daniel L. Reger'
'Agota Debreczeni'
'Mark D. Smith'
_publ_section_title
;
 Rhodium paddlewheel dimers containing the π···π
 stacking, 1,8-naphthalimide supramolecular synthon
;
_journal_issue                   1
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              42
_journal_page_last               48
_journal_paper_doi               10.1016/j.ica.2011.08.011
_journal_volume                  378
_journal_year                    2011
_chemical_formula_moiety         'C70 H50 N6 O16 Rh2, 3(C3 H7 N O)'
_chemical_formula_sum            'C79 H71 N9 O19 Rh2'
_chemical_formula_weight         1656.27
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.5590(10)
_cell_angle_beta                 103.3500(10)
_cell_angle_gamma                96.6690(10)
_cell_formula_units_Z            1
_cell_length_a                   11.1223(7)
_cell_length_b                   11.8226(7)
_cell_length_c                   14.3795(9)
_cell_measurement_reflns_used    5606
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.385
_cell_measurement_theta_min      2.381
_cell_volume                     1776.07(19)
_computing_cell_refinement       'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection       'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_molecular_graphics    various
_computing_publication_material  'SHELXTL Version 6.14 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28532
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.548
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8950
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Version 2.05 (Bruker, 2001)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular, cleaved'
_exptl_crystal_F_000             850
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.761
_refine_diff_density_min         -0.419
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         7275
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0341
_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)+(0.0469P)²+0.6462P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0885
_reflns_number_gt                6464
_reflns_number_total             7275
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ad10s.cif
_cod_data_source_block           ad10s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               1513099
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.596828(16) 0.517718(14) 0.562798(13) 0.02509(7) Uani 1 1 d . . .
C1 C 0.1704(2) 0.0329(2) 0.4272(2) 0.0350(6) Uani 1 1 d . . .
C2 C 0.0366(2) 0.0378(2) 0.38911(19) 0.0344(6) Uani 1 1 d . . .
C3 C -0.0174(2) 0.1284(2) 0.43580(19) 0.0327(5) Uani 1 1 d . . .
C4 C 0.0557(2) 0.2143(2) 0.51977(19) 0.0338(5) Uani 1 1 d . . .
C5 C 0.1891(2) 0.2092(2) 0.5603(2) 0.0343(6) Uani 1 1 d . . .
C6 C -0.0366(3) -0.0466(2) 0.3092(2) 0.0406(6) Uani 1 1 d . . .
H6 H -0.0008 -0.1085 0.2790 0.049 Uiso 1 1 calc R . .
C7 C -0.1631(3) -0.0419(2) 0.2725(2) 0.0456(7) Uani 1 1 d . . .
H7 H -0.2122 -0.0998 0.2166 0.055 Uiso 1 1 calc R . .
C8 C -0.2172(3) 0.0451(2) 0.3160(2) 0.0434(6) Uani 1 1 d . . .
H8 H -0.3035 0.0468 0.2901 0.052 Uiso 1 1 calc R . .
C9 C -0.1462(3) 0.1327(2) 0.3992(2) 0.0386(6) Uani 1 1 d . . .
C10 C -0.1984(3) 0.2226(2) 0.4482(2) 0.0443(7) Uani 1 1 d . . .
H10 H -0.2846 0.2263 0.4249 0.053 Uiso 1 1 calc R . .
C11 C -0.1260(3) 0.3043(3) 0.5288(2) 0.0492(7) Uani 1 1 d . . .
H11 H -0.1622 0.3647 0.5607 0.059 Uiso 1 1 calc R . .
C12 C 0.0008(3) 0.2999(2) 0.5649(2) 0.0427(6) Uani 1 1 d . . .
H12 H 0.0497 0.3570 0.6214 0.051 Uiso 1 1 calc R . .
C13 C 0.3691(2) 0.1070(2) 0.5526(2) 0.0348(6) Uani 1 1 d . . .
H13A H 0.3730 0.0240 0.5538 0.042 Uiso 1 1 calc R . .
H13B H 0.3969 0.1537 0.6214 0.042 Uiso 1 1 calc R . .
C14 C 0.4600(2) 0.1477(2) 0.49594(19) 0.0325(5) Uani 1 1 d . . .
H14A H 0.5435 0.1295 0.5239 0.039 Uiso 1 1 calc R . .
H14B H 0.4306 0.1029 0.4266 0.039 Uiso 1 1 calc R . .
C15 C 0.4732(2) 0.27741(19) 0.49850(18) 0.0286(5) Uani 1 1 d . . .
C16 C 0.4554(3) 0.2099(2) 0.2083(2) 0.0416(6) Uani 1 1 d . . .
C17 C 0.3205(3) 0.1835(2) 0.1621(2) 0.0426(7) Uani 1 1 d . . .
C18 C 0.2695(3) 0.2330(2) 0.0825(2) 0.0442(7) Uani 1 1 d . . .
C19 C 0.3461(3) 0.3088(2) 0.0481(2) 0.0436(7) Uani 1 1 d . . .
C20 C 0.4812(3) 0.3400(2) 0.0965(2) 0.0422(6) Uani 1 1 d . . .
C21 C 0.2433(3) 0.1128(3) 0.1955(2) 0.0584(8) Uani 1 1 d . . .
H21 H 0.2773 0.0810 0.2495 0.070 Uiso 1 1 calc R . .
C22 C 0.1145(4) 0.0864(4) 0.1509(3) 0.0749(11) Uani 1 1 d . . .
H22 H 0.0618 0.0364 0.1747 0.090 Uiso 1 1 calc R . .
C23 C 0.0632(4) 0.1318(4) 0.0734(3) 0.0724(11) Uani 1 1 d . . .
H23 H -0.0246 0.1133 0.0444 0.087 Uiso 1 1 calc R . .
C24 C 0.1390(3) 0.2057(3) 0.0360(2) 0.0558(8) Uani 1 1 d . . .
C25 C 0.0905(3) 0.2546(3) -0.0448(3) 0.0662(10) Uani 1 1 d . . .
H25 H 0.0034 0.2361 -0.0770 0.079 Uiso 1 1 calc R . .
C26 C 0.1678(4) 0.3276(3) -0.0762(3) 0.0660(10) Uani 1 1 d . . .
H26 H 0.1345 0.3599 -0.1301 0.079 Uiso 1 1 calc R . .
C27 C 0.2961(3) 0.3553(3) -0.0295(2) 0.0545(8) Uani 1 1 d . . .
H27 H 0.3492 0.4068 -0.0516 0.065 Uiso 1 1 calc R . .
C28 C 0.6628(3) 0.3228(2) 0.2219(2) 0.0436(7) Uani 1 1 d . . .
H28A H 0.7109 0.3190 0.1717 0.052 Uiso 1 1 calc R . .
H28B H 0.6892 0.2667 0.2620 0.052 Uiso 1 1 calc R . .
C29 C 0.6947(2) 0.4460(2) 0.28800(19) 0.0365(6) Uani 1 1 d . . .
H29A H 0.7856 0.4629 0.3207 0.044 Uiso 1 1 calc R . .
H29B H 0.6772 0.5026 0.2465 0.044 Uiso 1 1 calc R . .
C30 C 0.6236(2) 0.46533(19) 0.36590(19) 0.0306(5) Uani 1 1 d . . .
C31 C 0.7964(3) 0.5068(3) 0.7545(2) 0.0451(7) Uani 1 1 d . . .
H31 H 0.7275 0.4574 0.7623 0.054 Uiso 1 1 calc R . .
C32 C 0.9096(3) 0.5258(3) 0.8242(2) 0.0574(8) Uani 1 1 d . . .
H32 H 0.9189 0.4890 0.8777 0.069 Uiso 1 1 calc R . .
C33 C 1.0082(3) 0.5990(3) 0.8143(2) 0.0596(9) Uani 1 1 d . . .
H33 H 1.0867 0.6156 0.8621 0.071 Uiso 1 1 calc R . .
C34 C 0.9920(3) 0.6479(3) 0.7347(3) 0.0564(8) Uani 1 1 d . . .
H34 H 1.0594 0.6979 0.7257 0.068 Uiso 1 1 calc R . .
C35 C 0.8761(3) 0.6233(2) 0.6678(2) 0.0447(7) Uani 1 1 d . . .
H35 H 0.8652 0.6575 0.6126 0.054 Uiso 1 1 calc R . .
N1 N 0.23845(19) 0.11743(17) 0.51099(16) 0.0323(5) Uani 1 1 d . . .
N2 N 0.5282(2) 0.28707(19) 0.17190(16) 0.0392(5) Uani 1 1 d . . .
N3 N 0.77892(19) 0.55396(17) 0.67725(15) 0.0308(4) Uani 1 1 d . . .
O1 O 0.22228(18) -0.04182(15) 0.38908(15) 0.0443(5) Uani 1 1 d . . .
O2 O 0.25537(18) 0.27829(15) 0.63370(14) 0.0428(5) Uani 1 1 d . . .
O3 O 0.56968(15) 0.34302(13) 0.55844(12) 0.0295(4) Uani 1 1 d . . .
O4 O 0.38699(15) 0.30975(13) 0.44095(12) 0.0299(4) Uani 1 1 d . . .
O5 O 0.5059(2) 0.16583(18) 0.27370(16) 0.0517(5) Uani 1 1 d . . .
O6 O 0.5522(2) 0.40914(19) 0.07261(16) 0.0559(5) Uani 1 1 d . . .
O7 O 0.68712(15) 0.48801(14) 0.45467(12) 0.0305(4) Uani 1 1 d . . .
O8 O 0.50592(15) 0.45690(14) 0.33607(12) 0.0310(4) Uani 1 1 d . . .
C36 C 0.2819(3) 0.6723(3) 0.0738(2) 0.0620(9) Uani 1 1 d D . .
H36 H 0.3077 0.6135 0.0309 0.074 Uiso 1 1 calc R . .
C37 C 0.3273(4) 0.8066(4) 0.2337(3) 0.0758(12) Uani 1 1 d D . .
H37A H 0.2433 0.8220 0.2064 0.114 Uiso 1 1 calc R . .
H37B H 0.3885 0.8787 0.2488 0.114 Uiso 1 1 calc R . .
H37C H 0.3290 0.7795 0.2940 0.114 Uiso 1 1 calc R . .
C38 C 0.4787(3) 0.6802(3) 0.1915(3) 0.0573(8) Uani 1 1 d D . .
H38A H 0.4846 0.6141 0.1403 0.086 Uiso 1 1 calc R . .
H38B H 0.4862 0.6561 0.2536 0.086 Uiso 1 1 calc R . .
H38C H 0.5463 0.7454 0.1999 0.086 Uiso 1 1 calc R . .
N4 N 0.3586(2) 0.7174(2) 0.16277(17) 0.0483(6) Uani 1 1 d D . .
O9 O 0.1817(3) 0.7005(3) 0.0431(2) 0.1055(12) Uani 1 1 d D . .
C39A C 0.3894(11) -0.0757(13) 1.0090(11) 0.097(5) Uiso 0.330(6) 1 d PD A -1
H39A H 0.4043 -0.1231 1.0552 0.116 Uiso 0.330(6) 1 calc PR A -1
C40A C 0.465(2) 0.0728(18) 0.9228(14) 0.116(5) Uiso 0.330(6) 1 d PD A -1
H40A H 0.4526 0.0228 0.8570 0.174 Uiso 0.330(6) 1 calc PR A -1
H40B H 0.5407 0.1319 0.9382 0.174 Uiso 0.330(6) 1 calc PR A -1
H40C H 0.3923 0.1118 0.9248 0.174 Uiso 0.330(6) 1 calc PR A -1
C41A C 0.6126(10) 0.0144(14) 1.0520(11) 0.090(5) Uiso 0.330(6) 1 d PD A -1
H41A H 0.6204 0.0435 1.1223 0.135 Uiso 0.330(6) 1 calc PR A -1
H41B H 0.6641 0.0705 1.0293 0.135 Uiso 0.330(6) 1 calc PR A -1
H41C H 0.6412 -0.0614 1.0413 0.135 Uiso 0.330(6) 1 calc PR A -1
N5A N 0.4796(6) -0.0001(7) 0.9963(6) 0.0572(14) Uiso 0.330(6) 1 d PD A -1
O10A O 0.2825(9) -0.0782(10) 0.9539(8) 0.103(3) Uiso 0.330(6) 1 d PD A -1
C39B C 0.5197(18) 0.0679(18) 0.9418(14) 0.062(6) Uiso 0.170(6) 1 d PD A -2
H39B H 0.6069 0.0916 0.9502 0.075 Uiso 0.170(6) 1 calc PR A -2
C40B C 0.3512(18) -0.065(3) 0.975(3) 0.103(3) Uiso 0.170(6) 1 d PD A -2
H40D H 0.2965 -0.0403 0.9214 0.154 Uiso 0.170(6) 1 calc PR A -2
H40E H 0.3201 -0.0483 1.0338 0.154 Uiso 0.170(6) 1 calc PR A -2
H40F H 0.3516 -0.1491 0.9551 0.154 Uiso 0.170(6) 1 calc PR A -2
C41B C 0.5835(17) -0.022(2) 1.0696(14) 0.058(6) Uiso 0.170(6) 1 d PD A -2
H41D H 0.6513 -0.0408 1.0392 0.087 Uiso 0.170(6) 1 calc PR A -2
H41E H 0.5544 -0.0887 1.0948 0.087 Uiso 0.170(6) 1 calc PR A -2
H41F H 0.6144 0.0474 1.1239 0.087 Uiso 0.170(6) 1 calc PR A -2
N5B N 0.4796(6) -0.0001(7) 0.9963(6) 0.0572(14) Uiso 0.170(6) 1 d PD A -2
O10B O 0.441(2) 0.100(2) 0.8800(15) 0.116(5) Uiso 0.170(6) 1 d PD A -2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
O7 Rh1 O3 89.91(7) . .
O7 Rh1 O4 89.64(7) . 2_666
O3 Rh1 O4 175.96(6) . 2_666
O7 Rh1 O8 175.87(6) . 2_666
O3 Rh1 O8 89.16(7) . 2_666
O4 Rh1 O8 91.01(7) 2_666 2_666
O7 Rh1 N3 90.61(7) . .
O3 Rh1 N3 93.38(7) . .
O4 Rh1 N3 90.63(7) 2_666 .
O8 Rh1 N3 93.47(7) 2_666 .
O7 Rh1 Rh1 88.35(5) . 2_666
O3 Rh1 Rh1 87.80(5) . 2_666
O4 Rh1 Rh1 88.17(5) 2_666 2_666
O8 Rh1 Rh1 87.59(5) 2_666 2_666
N3 Rh1 Rh1 178.42(6) . 2_666
O1 C1 N1 119.6(2) . .
O1 C1 C2 122.8(2) . .
N1 C1 C2 117.6(2) . .
C6 C2 C3 119.8(2) . .
C6 C2 C1 120.2(2) . .
C3 C2 C1 120.0(2) . .
C2 C3 C9 119.8(2) . .
C2 C3 C4 120.7(2) . .
C9 C3 C4 119.5(2) . .
C12 C4 C3 119.6(2) . .
C12 C4 C5 120.2(2) . .
C3 C4 C5 120.2(2) . .
O2 C5 N1 120.0(2) . .
O2 C5 C4 123.1(2) . .
N1 C5 C4 117.0(2) . .
C2 C6 C7 120.4(3) . .
C2 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C8 C7 C6 120.8(3) . .
C8 C7 H7 119.6 . .
C6 C7 H7 119.6 . .
C7 C8 C9 120.8(3) . .
C7 C8 H8 119.6 . .
C9 C8 H8 119.6 . .
C10 C9 C8 123.0(3) . .
C10 C9 C3 118.7(3) . .
C8 C9 C3 118.3(2) . .
C11 C10 C9 120.7(3) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C10 C11 C12 120.6(3) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C4 C12 C11 120.9(3) . .
C4 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
N1 C13 C14 113.9(2) . .
N1 C13 H13A 108.8 . .
C14 C13 H13A 108.8 . .
N1 C13 H13B 108.8 . .
C14 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
C15 C14 C13 113.79(19) . .
C15 C14 H14A 108.8 . .
C13 C14 H14A 108.8 . .
C15 C14 H14B 108.8 . .
C13 C14 H14B 108.8 . .
H14A C14 H14B 107.7 . .
O4 C15 O3 126.3(2) . .
O4 C15 C14 116.9(2) . .
O3 C15 C14 116.8(2) . .
O5 C16 N2 120.0(3) . .
O5 C16 C17 123.0(3) . .
N2 C16 C17 117.0(3) . .
C21 C17 C18 119.8(3) . .
C21 C17 C16 120.4(3) . .
C18 C17 C16 119.8(3) . .
C19 C18 C24 118.8(3) . .
C19 C18 C17 121.1(3) . .
C24 C18 C17 120.0(3) . .
C27 C19 C18 120.7(3) . .
C27 C19 C20 119.6(3) . .
C18 C19 C20 119.7(3) . .
O6 C20 N2 119.7(3) . .
O6 C20 C19 122.9(3) . .
N2 C20 C19 117.5(2) . .
C17 C21 C22 120.6(3) . .
C17 C21 H21 119.7 . .
C22 C21 H21 119.7 . .
C23 C22 C21 120.8(3) . .
C23 C22 H22 119.6 . .
C21 C22 H22 119.6 . .
C22 C23 C24 121.0(3) . .
C22 C23 H23 119.5 . .
C24 C23 H23 119.5 . .
C23 C24 C18 117.8(3) . .
C23 C24 C25 123.2(3) . .
C18 C24 C25 119.0(3) . .
C26 C25 C24 120.5(3) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C25 C26 C27 120.2(4) . .
C25 C26 H26 119.9 . .
C27 C26 H26 119.9 . .
C19 C27 C26 120.7(3) . .
C19 C27 H27 119.6 . .
C26 C27 H27 119.6 . .
N2 C28 C29 113.1(2) . .
N2 C28 H28A 109.0 . .
C29 C28 H28A 109.0 . .
N2 C28 H28B 109.0 . .
C29 C28 H28B 109.0 . .
H28A C28 H28B 107.8 . .
C30 C29 C28 114.5(2) . .
C30 C29 H29A 108.6 . .
C28 C29 H29A 108.6 . .
C30 C29 H29B 108.6 . .
C28 C29 H29B 108.6 . .
H29A C29 H29B 107.6 . .
O8 C30 O7 126.2(2) . .
O8 C30 C29 116.7(2) . .
O7 C30 C29 117.1(2) . .
N3 C31 C32 123.3(3) . .
N3 C31 H31 118.4 . .
C32 C31 H31 118.4 . .
C33 C32 C31 118.5(3) . .
C33 C32 H32 120.8 . .
C31 C32 H32 120.8 . .
C32 C33 C34 119.0(3) . .
C32 C33 H33 120.5 . .
C34 C33 H33 120.5 . .
C33 C34 C35 118.9(3) . .
C33 C34 H34 120.5 . .
C35 C34 H34 120.5 . .
N3 C35 C34 122.7(3) . .
N3 C35 H35 118.6 . .
C34 C35 H35 118.6 . .
C1 N1 C5 124.6(2) . .
C1 N1 C13 117.3(2) . .
C5 N1 C13 118.0(2) . .
C20 N2 C16 124.9(2) . .
C20 N2 C28 116.6(2) . .
C16 N2 C28 118.3(2) . .
C31 N3 C35 117.6(2) . .
C31 N3 Rh1 122.79(18) . .
C35 N3 Rh1 119.59(18) . .
C15 O3 Rh1 119.01(15) . .
C15 O4 Rh1 118.67(15) . 2_666
C30 O7 Rh1 118.82(15) . .
C30 O8 Rh1 119.03(15) . 2_666
O9 C36 N4 125.1(3) . .
O9 C36 H36 117.5 . .
N4 C36 H36 117.5 . .
N4 C37 H37A 109.5 . .
N4 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
N4 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
N4 C38 H38A 109.5 . .
N4 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
N4 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C36 N4 C37 121.7(3) . .
C36 N4 C38 120.8(3) . .
C37 N4 C38 117.5(3) . .
O10A C39A N5A 113.6(11) . .
O10A C39A H39A 123.2 . .
N5A C39A H39A 123.2 . .
N5A C40A H40A 109.5 . .
N5A C40A H40B 109.5 . .
H40A C40A H40B 109.5 . .
N5A C40A H40C 109.5 . .
H40A C40A H40C 109.5 . .
H40B C40A H40C 109.5 . .
N5A C41A H41A 109.5 . .
N5A C41A H41B 109.5 . .
H41A C41A H41B 109.5 . .
N5A C41A H41C 109.5 . .
H41A C41A H41C 109.5 . .
H41B C41A H41C 109.5 . .
C39A N5A C41A 122.3(9) . .
C39A N5A C40A 126.5(11) . .
C41A N5A C40A 111.1(10) . .
O10B C39B H39B 120.5 . .
H40D C40B H40E 109.5 . .
H40D C40B H40F 109.5 . .
H40E C40B H40F 109.5 . .
H41D C41B H41E 109.5 . .
H41D C41B H41F 109.5 . .
H41E C41B H41F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 O7 2.0330(16) .
Rh1 O3 2.0385(15) .
Rh1 O4 2.0394(15) 2_666
Rh1 O8 2.0452(16) 2_666
Rh1 N3 2.229(2) .
Rh1 Rh1 2.4015(4) 2_666
C1 O1 1.218(3) .
C1 N1 1.394(3) .
C1 C2 1.475(4) .
C2 C6 1.379(4) .
C2 C3 1.417(3) .
C3 C9 1.418(4) .
C3 C4 1.419(4) .
C4 C12 1.372(3) .
C4 C5 1.477(4) .
C5 O2 1.216(3) .
C5 N1 1.411(3) .
C6 C7 1.395(4) .
C6 H6 0.9500 .
C7 C8 1.369(4) .
C7 H7 0.9500 .
C8 C9 1.416(4) .
C8 H8 0.9500 .
C9 C10 1.412(4) .
C10 C11 1.365(4) .
C10 H10 0.9500 .
C11 C12 1.397(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 N1 1.467(3) .
C13 C14 1.530(4) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.515(3) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 O4 1.263(3) .
C15 O3 1.268(3) .
C16 O5 1.221(3) .
C16 N2 1.406(4) .
C16 C17 1.462(4) .
C17 C21 1.360(4) .
C17 C18 1.422(4) .
C18 C19 1.402(4) .
C18 C24 1.419(4) .
C19 C27 1.374(4) .
C19 C20 1.471(4) .
C20 O6 1.224(3) .
C20 N2 1.388(4) .
C21 C22 1.398(5) .
C21 H21 0.9500 .
C22 C23 1.368(6) .
C22 H22 0.9500 .
C23 C24 1.411(5) .
C23 H23 0.9500 .
C24 C25 1.423(5) .
C25 C26 1.362(5) .
C25 H25 0.9500 .
C26 C27 1.398(5) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 N2 1.474(3) .
C28 C29 1.523(3) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.510(3) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 O8 1.265(3) .
C30 O7 1.266(3) .
C31 N3 1.326(3) .
C31 C32 1.378(4) .
C31 H31 0.9500 .
C32 C33 1.367(5) .
C32 H32 0.9500 .
C33 C34 1.368(5) .
C33 H33 0.9500 .
C34 C35 1.379(4) .
C34 H34 0.9500 .
C35 N3 1.329(3) .
C35 H35 0.9500 .
O4 Rh1 2.0394(15) 2_666
O8 Rh1 2.0453(16) 2_666
C36 O9 1.210(4) .
C36 N4 1.329(4) .
C36 H36 0.9500 .
C37 N4 1.447(4) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 N4 1.449(4) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39A O10A 1.261(12) .
C39A N5A 1.334(11) .
C39A H39A 0.9500 .
C40A N5A 1.485(12) .
C40A H40A 0.9800 .
C40A H40B 0.9800 .
C40A H40C 0.9800 .
C41A N5A 1.483(11) .
C41A H41A 0.9800 .
C41A H41B 0.9800 .
C41A H41C 0.9800 .
C39B O10B 1.241(14) .
C39B H39B 0.9500 .
C40B H40D 0.9800 .
C40B H40E 0.9800 .
C40B H40F 0.9800 .
C41B H41D 0.9800 .
C41B H41E 0.9800 .
C41B H41F 0.9800 .
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_4
O1 C1 C2 C6 2.4(4) . .
N1 C1 C2 C6 -177.0(2) . .
O1 C1 C2 C3 -178.8(2) . .
N1 C1 C2 C3 1.8(4) . .
C6 C2 C3 C9 -0.9(4) . .
C1 C2 C3 C9 -179.7(2) . .
C6 C2 C3 C4 178.3(2) . .
C1 C2 C3 C4 -0.6(4) . .
C2 C3 C4 C12 -178.8(3) . .
C9 C3 C4 C12 0.3(4) . .
C2 C3 C4 C5 -0.8(4) . .
C9 C3 C4 C5 178.3(2) . .
C12 C4 C5 O2 0.2(4) . .
C3 C4 C5 O2 -177.8(2) . .
C12 C4 C5 N1 178.9(2) . .
C3 C4 C5 N1 0.9(4) . .
C3 C2 C6 C7 1.6(4) . .
C1 C2 C6 C7 -179.6(2) . .
C2 C6 C7 C8 -1.2(4) . .
C6 C7 C8 C9 0.2(4) . .
C7 C8 C9 C10 -178.4(3) . .
C7 C8 C9 C3 0.5(4) . .
C2 C3 C9 C10 178.8(2) . .
C4 C3 C9 C10 -0.3(4) . .
C2 C3 C9 C8 -0.2(4) . .
C4 C3 C9 C8 -179.3(2) . .
C8 C9 C10 C11 179.4(3) . .
C3 C9 C10 C11 0.4(4) . .
C9 C10 C11 C12 -0.5(5) . .
C3 C4 C12 C11 -0.5(4) . .
C5 C4 C12 C11 -178.5(3) . .
C10 C11 C12 C4 0.6(5) . .
N1 C13 C14 C15 64.9(3) . .
C13 C14 C15 O4 -79.0(3) . .
C13 C14 C15 O3 100.8(3) . .
O5 C16 C17 C21 4.2(4) . .
N2 C16 C17 C21 -177.8(3) . .
O5 C16 C17 C18 -176.4(2) . .
N2 C16 C17 C18 1.7(4) . .
C21 C17 C18 C19 178.3(3) . .
C16 C17 C18 C19 -1.1(4) . .
C21 C17 C18 C24 -2.0(4) . .
C16 C17 C18 C24 178.6(2) . .
C24 C18 C19 C27 -0.4(4) . .
C17 C18 C19 C27 179.4(3) . .
C24 C18 C19 C20 178.8(3) . .
C17 C18 C19 C20 -1.4(4) . .
C27 C19 C20 O6 2.2(4) . .
C18 C19 C20 O6 -177.0(3) . .
C27 C19 C20 N2 -177.4(2) . .
C18 C19 C20 N2 3.3(4) . .
C18 C17 C21 C22 1.2(5) . .
C16 C17 C21 C22 -179.4(3) . .
C17 C21 C22 C23 -0.5(6) . .
C21 C22 C23 C24 0.4(6) . .
C22 C23 C24 C18 -1.1(5) . .
C22 C23 C24 C25 179.6(4) . .
C19 C18 C24 C23 -178.4(3) . .
C17 C18 C24 C23 1.9(4) . .
C19 C18 C24 C25 1.0(4) . .
C17 C18 C24 C25 -178.8(3) . .
C23 C24 C25 C26 178.4(4) . .
C18 C24 C25 C26 -0.8(5) . .
C24 C25 C26 C27 0.1(5) . .
C18 C19 C27 C26 -0.3(5) . .
C20 C19 C27 C26 -179.6(3) . .
C25 C26 C27 C19 0.5(5) . .
N2 C28 C29 C30 56.4(3) . .
C28 C29 C30 O8 -64.1(3) . .
C28 C29 C30 O7 115.7(3) . .
N3 C31 C32 C33 1.5(5) . .
C31 C32 C33 C34 -1.8(5) . .
C32 C33 C34 C35 1.1(5) . .
C33 C34 C35 N3 0.0(5) . .
O1 C1 N1 C5 178.8(2) . .
C2 C1 N1 C5 -1.8(4) . .
O1 C1 N1 C13 -3.7(4) . .
C2 C1 N1 C13 175.7(2) . .
O2 C5 N1 C1 179.2(2) . .
C4 C5 N1 C1 0.4(4) . .
O2 C5 N1 C13 1.7(4) . .
C4 C5 N1 C13 -177.0(2) . .
C14 C13 N1 C1 77.2(3) . .
C14 C13 N1 C5 -105.1(3) . .
O6 C20 N2 C16 177.5(2) . .
C19 C20 N2 C16 -2.9(4) . .
O6 C20 N2 C28 2.6(4) . .
C19 C20 N2 C28 -177.8(2) . .
O5 C16 N2 C20 178.5(2) . .
C17 C16 N2 C20 0.4(4) . .
O5 C16 N2 C28 -6.7(4) . .
C17 C16 N2 C28 175.2(2) . .
C29 C28 N2 C20 72.2(3) . .
C29 C28 N2 C16 -103.0(3) . .
C32 C31 N3 C35 -0.4(4) . .
C32 C31 N3 Rh1 178.0(2) . .
C34 C35 N3 C31 -0.4(4) . .
C34 C35 N3 Rh1 -178.8(2) . .
O7 Rh1 N3 C31 -132.5(2) . .
O3 Rh1 N3 C31 -42.6(2) . .
O4 Rh1 N3 C31 137.8(2) 2_666 .
O8 Rh1 N3 C31 46.8(2) 2_666 .
O7 Rh1 N3 C35 45.8(2) . .
O3 Rh1 N3 C35 135.8(2) . .
O4 Rh1 N3 C35 -43.8(2) 2_666 .
O8 Rh1 N3 C35 -134.9(2) 2_666 .
O4 C15 O3 Rh1 -2.2(3) . .
C14 C15 O3 Rh1 177.99(15) . .
O7 Rh1 O3 C15 -87.66(17) . .
O8 Rh1 O3 C15 88.31(17) 2_666 .
N3 Rh1 O3 C15 -178.26(17) . .
Rh1 Rh1 O3 C15 0.69(16) 2_666 .
O3 C15 O4 Rh1 2.6(3) . 2_666
C14 C15 O4 Rh1 -177.59(15) . 2_666
O8 C30 O7 Rh1 -1.3(3) . .
C29 C30 O7 Rh1 178.93(15) . .
O3 Rh1 O7 C30 89.11(17) . .
O4 Rh1 O7 C30 -86.88(17) 2_666 .
N3 Rh1 O7 C30 -177.51(17) . .
Rh1 Rh1 O7 C30 1.30(16) 2_666 .
O7 C30 O8 Rh1 0.4(3) . 2_666
C29 C30 O8 Rh1 -179.87(15) . 2_666
O9 C36 N4 C37 0.6(7) . .
O9 C36 N4 C38 -178.1(4) . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139041649
