#------------------------------------------------------------------------------
#$Date: 2021-11-06 20:46:37 +0200 (Sat, 06 Nov 2021) $
#$Revision: 270355 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/90/7129054.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_7129054
loop_
_publ_author_name
'Kang, Ju Young'
'An, Won'
'Kim, Suho'
'Kwon, Na Yeon'
'Jeong, Taejoo'
'Ghosh, Prithwish'
'Kim, Hyung Sik'
'Mishra, Neeraj Kumar'
'Kim, In Su'
_publ_section_title
;
 Synthesis of spirosuccinimides via annulative cyclization between
 N-aryl indazolols and maleimides under rhodium(III) catalysis.
;
_journal_issue                   83
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10947
_journal_page_last               10950
_journal_paper_doi               10.1039/d1cc04599g
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C36 H33 N4 O2 Rh'
_chemical_formula_weight         656.57
_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   geom
_audit_creation_method           'APEX3 v2019.11-0'
_audit_update_record
;
2021-07-08 deposited with the CCDC.	2021-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.340(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8432(6)
_cell_length_b                   14.0502(6)
_cell_length_c                   16.6156(7)
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.2445
_cell_measurement_theta_min      2.5219
_cell_volume                     2993.2(2)
_computing_cell_refinement       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service v2021.1.0.1'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            112285
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.047
_diffrn_reflns_theta_max         25.047
_diffrn_reflns_theta_min         1.900
_exptl_absorpt_coefficient_mu    0.610
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.850
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         5304
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0313
_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)+(0.0409P)²+3.7289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0868
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4740
_reflns_number_total             5304
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc04599g2.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7129054--7129055.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7129054
_shelx_shelxl_version_number     2018/3
_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   0.888
_shelx_estimated_absorpt_t_max   0.953
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
C1 C 0.8071(2) 0.7509(2) 0.26002(11) 0.0406(6) Uani 1 1 d D . . . .
C2 C 0.9102(2) 0.7381(2) 0.29989(18) 0.0423(6) Uani 1 1 d . . . . .
C3 C 1.0082(3) 0.7260(2) 0.2703(2) 0.0552(8) Uani 1 1 d . . . . .
H3 H 1.017113 0.724482 0.215171 0.066 Uiso 1 1 calc R U . . .
C4 C 1.0921(3) 0.7162(3) 0.3258(3) 0.0638(9) Uani 1 1 d . . . . .
H4 H 1.158848 0.708302 0.307911 0.077 Uiso 1 1 calc R U . . .
C5 C 1.0776(3) 0.7181(3) 0.4081(2) 0.0636(10) Uani 1 1 d . . . . .
H5 H 1.135393 0.710344 0.443956 0.076 Uiso 1 1 calc R U . . .
C6 C 0.9820(3) 0.7309(2) 0.4385(2) 0.0540(8) Uani 1 1 d . . . . .
H6 H 0.973449 0.731771 0.493660 0.065 Uiso 1 1 calc R U . . .
C7 C 0.8972(2) 0.7426(2) 0.38187(18) 0.0426(7) Uani 1 1 d . . . . .
C8 C 0.7439(2) 0.7238(2) 0.46171(17) 0.0425(7) Uani 1 1 d . . . . .
C9 C 0.7621(3) 0.7679(3) 0.53563(19) 0.0574(9) Uani 1 1 d . . . . .
H9 H 0.803053 0.822447 0.539692 0.069 Uiso 1 1 calc R U . . .
C10 C 0.7201(3) 0.7314(4) 0.6026(2) 0.0735(12) Uani 1 1 d . . . . .
H10 H 0.732149 0.761608 0.652064 0.088 Uiso 1 1 calc R U . . .
C11 C 0.6609(4) 0.6512(4) 0.5977(3) 0.0797(14) Uani 1 1 d . . . . .
H11 H 0.633603 0.626404 0.643859 0.096 Uiso 1 1 calc R U . . .
C12 C 0.6409(3) 0.6062(3) 0.5242(3) 0.0728(11) Uani 1 1 d . . . . .
H12 H 0.599356 0.551975 0.520822 0.087 Uiso 1 1 calc R U . . .
C13 C 0.6832(3) 0.6426(2) 0.4556(2) 0.0549(8) Uani 1 1 d . . . . .
H13 H 0.670712 0.612668 0.406071 0.066 Uiso 1 1 calc R U . . .
C14 C 0.54997(18) 0.6894(2) 0.16374(15) 0.0394(6) Uani 1 1 d D . . . .
C15 C 0.4793(2) 0.6124(2) 0.15312(19) 0.0441(7) Uani 1 1 d . . . . .
C16 C 0.4636(3) 0.5454(2) 0.0923(2) 0.0614(9) Uani 1 1 d . . . . .
H16 H 0.500961 0.547922 0.046078 0.074 Uiso 1 1 calc R U . . .
C17 C 0.3911(3) 0.4753(3) 0.1025(3) 0.0764(12) Uani 1 1 d . . . . .
H17 H 0.378617 0.429621 0.062618 0.092 Uiso 1 1 calc R U . . .
C18 C 0.3366(3) 0.4724(3) 0.1716(3) 0.0763(12) Uani 1 1 d . . . . .
H18 H 0.288389 0.423768 0.176986 0.092 Uiso 1 1 calc R U . . .
C19 C 0.3499(3) 0.5376(3) 0.2328(3) 0.0639(10) Uani 1 1 d . . . . .
H19 H 0.311904 0.534412 0.278722 0.077 Uiso 1 1 calc R U . . .
C20 C 0.4243(2) 0.6095(2) 0.2224(2) 0.0449(7) Uani 1 1 d . . . . .
C21 C 0.4476(2) 0.7111(2) 0.35009(18) 0.0435(7) Uani 1 1 d . . . . .
C22 C 0.3781(3) 0.6683(3) 0.4003(2) 0.0605(9) Uani 1 1 d . . . . .
H22 H 0.334318 0.619703 0.380805 0.073 Uiso 1 1 calc R U . . .
C23 C 0.3747(3) 0.6984(3) 0.4790(2) 0.0652(10) Uani 1 1 d . . . . .
H23 H 0.329045 0.669580 0.512894 0.078 Uiso 1 1 calc R U . . .
C24 C 0.4378(3) 0.7701(3) 0.5074(2) 0.0569(9) Uani 1 1 d . . . . .
H24 H 0.434705 0.790502 0.560449 0.068 Uiso 1 1 calc R U . . .
C25 C 0.5069(2) 0.8130(2) 0.45714(18) 0.0465(7) Uani 1 1 d . . . . .
H25 H 0.550234 0.861301 0.477705 0.056 Uiso 1 1 calc R U . . .
C26 C 0.5131(2) 0.7858(2) 0.37690(17) 0.0388(6) Uani 1 1 d . . . . .
C27 C 0.5358(2) 0.9862(2) 0.31377(18) 0.0435(7) Uani 1 1 d . . . . .
C28 C 0.5196(2) 0.9607(2) 0.23070(18) 0.0419(6) Uani 1 1 d . . . . .
C29 C 0.6196(2) 0.9580(2) 0.19536(17) 0.0403(6) Uani 1 1 d . . . . .
C30 C 0.6959(2) 0.9745(2) 0.25723(18) 0.0423(7) Uani 1 1 d . . . . .
C31 C 0.6459(2) 0.98847(19) 0.33204(17) 0.0420(7) Uani 1 1 d . . . . .
C32 C 0.4523(3) 1.0113(3) 0.3687(2) 0.0630(9) Uani 1 1 d . . . . .
H32A H 0.479979 1.008958 0.423598 0.095 Uiso 1 1 calc R U . . .
H32B H 0.395771 0.966873 0.361384 0.095 Uiso 1 1 calc R U . . .
H32C H 0.427295 1.074422 0.356535 0.095 Uiso 1 1 calc R U . . .
C33 C 0.4161(3) 0.9500(3) 0.1846(2) 0.0629(9) Uani 1 1 d . . . . .
H33A H 0.364429 0.930333 0.220680 0.094 Uiso 1 1 calc R U . . .
H33B H 0.421677 0.902952 0.143169 0.094 Uiso 1 1 calc R U . . .
H33C H 0.395972 1.009816 0.160521 0.094 Uiso 1 1 calc R U . . .
C34 C 0.6352(3) 0.9473(3) 0.10701(19) 0.0565(8) Uani 1 1 d . . . . .
H34A H 0.619231 1.006305 0.079985 0.085 Uiso 1 1 calc R U . . .
H34B H 0.590031 0.898211 0.084944 0.085 Uiso 1 1 calc R U . . .
H34C H 0.706480 0.930364 0.099582 0.085 Uiso 1 1 calc R U . . .
C35 C 0.8112(3) 0.9805(3) 0.2487(2) 0.0599(9) Uani 1 1 d . . . . .
H35A H 0.829406 0.944161 0.202672 0.090 Uiso 1 1 calc R U . . .
H35B H 0.847217 0.955294 0.296341 0.090 Uiso 1 1 calc R U . . .
H35C H 0.830903 1.045722 0.241791 0.090 Uiso 1 1 calc R U . . .
C36 C 0.7011(3) 1.0153(3) 0.4108(2) 0.0591(9) Uani 1 1 d . . . . .
H36A H 0.724190 1.080218 0.408400 0.089 Uiso 1 1 calc R U . . .
H36B H 0.760251 0.974416 0.421130 0.089 Uiso 1 1 calc R U . . .
H36C H 0.654236 1.008602 0.453422 0.089 Uiso 1 1 calc R U . . .
N1 N 0.73788(18) 0.76225(17) 0.31744(13) 0.0387(5) Uani 1 1 d . . . . .
N2 N 0.79342(19) 0.76121(18) 0.39391(14) 0.0423(6) Uani 1 1 d . . . . .
N3 N 0.53676(18) 0.73200(16) 0.23163(14) 0.0374(5) Uani 1 1 d . . . . .
N4 N 0.45830(19) 0.68386(18) 0.27000(15) 0.0434(6) Uani 1 1 d . . . . .
O1 O 0.78865(16) 0.75462(17) 0.18516(10) 0.0510(5) Uani 1 1 d D . . . .
O2 O 0.62258(16) 0.71603(16) 0.11391(11) 0.0476(5) Uani 1 1 d D . . . .
H2 H 0.675251 0.732965 0.140336 0.071 Uiso 1 1 calc R U . . .
Rh1 Rh 0.60155(2) 0.84694(2) 0.29261(2) 0.03282(9) Uani 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'
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
_geom_angle_publ_flag
O1 C1 N1 127.0(3) . . ?
O1 C1 C2 124.8(3) . . ?
N1 C1 C2 108.15(19) . . ?
C7 C2 C3 121.2(3) . . ?
C7 C2 C1 106.5(2) . . ?
C3 C2 C1 132.3(3) . . ?
C4 C3 C2 117.6(3) . . ?
C4 C3 H3 121.2 . . ?
C2 C3 H3 121.2 . . ?
C3 C4 C5 120.6(3) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C6 C5 C4 122.7(3) . . ?
C6 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
C5 C6 C7 116.5(3) . . ?
C5 C6 H6 121.7 . . ?
C7 C6 H6 121.7 . . ?
C2 C7 N2 108.9(2) . . ?
C2 C7 C6 121.3(3) . . ?
N2 C7 C6 129.8(3) . . ?
C13 C8 C9 120.0(3) . . ?
C13 C8 N2 121.5(3) . . ?
C9 C8 N2 118.4(3) . . ?
C10 C9 C8 120.1(4) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C11 C10 C9 120.6(4) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.4(4) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C13 119.6(4) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C8 C13 C12 119.3(4) . . ?
C8 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
N3 C14 O2 122.7(2) . . ?
N3 C14 C15 110.2(2) . . ?
O2 C14 C15 127.0(3) . . ?
C20 C15 C16 121.7(3) . . ?
C20 C15 C14 105.8(2) . . ?
C16 C15 C14 132.4(3) . . ?
C17 C16 C15 117.9(4) . . ?
C17 C16 H16 121.0 . . ?
C15 C16 H16 121.0 . . ?
C16 C17 C18 120.3(4) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C19 C18 C17 123.4(4) . . ?
C19 C18 H18 118.3 . . ?
C17 C18 H18 118.3 . . ?
C18 C19 C20 116.3(4) . . ?
C18 C19 H19 121.8 . . ?
C20 C19 H19 121.8 . . ?
N4 C20 C15 107.3(3) . . ?
N4 C20 C19 132.3(3) . . ?
C15 C20 C19 120.4(3) . . ?
C22 C21 N4 123.5(3) . . ?
C22 C21 C26 121.8(3) . . ?
N4 C21 C26 114.7(3) . . ?
C23 C22 C21 119.4(3) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C24 C23 C22 120.4(3) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.0(3) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C26 122.0(3) . . ?
C24 C25 H25 119.0 . . ?
C26 C25 H25 119.0 . . ?
C25 C26 C21 116.3(3) . . ?
C25 C26 Rh1 127.3(2) . . ?
C21 C26 Rh1 116.4(2) . . ?
C28 C27 C31 107.3(3) . . ?
C28 C27 C32 125.5(3) . . ?
C31 C27 C32 127.1(3) . . ?
C28 C27 Rh1 69.72(16) . . ?
C31 C27 Rh1 70.41(16) . . ?
C32 C27 Rh1 127.9(2) . . ?
C27 C28 C29 108.4(3) . . ?
C27 C28 C33 126.3(3) . . ?
C29 C28 C33 124.9(3) . . ?
C27 C28 Rh1 71.56(16) . . ?
C29 C28 Rh1 75.63(16) . . ?
C33 C28 Rh1 124.4(2) . . ?
C30 C29 C28 107.4(3) . . ?
C30 C29 C34 127.5(3) . . ?
C28 C29 C34 125.0(3) . . ?
C30 C29 Rh1 71.73(16) . . ?
C28 C29 Rh1 66.28(16) . . ?
C34 C29 Rh1 130.8(2) . . ?
C29 C30 C31 109.1(3) . . ?
C29 C30 C35 126.5(3) . . ?
C31 C30 C35 124.4(3) . . ?
C29 C30 Rh1 72.32(16) . . ?
C31 C30 Rh1 67.18(15) . . ?
C35 C30 Rh1 128.1(2) . . ?
C27 C31 C30 107.3(2) . . ?
C27 C31 C36 127.0(3) . . ?
C30 C31 C36 125.0(3) . . ?
C27 C31 Rh1 71.02(16) . . ?
C30 C31 Rh1 74.74(16) . . ?
C36 C31 Rh1 126.8(2) . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C1 N1 N2 108.3(2) . . ?
C1 N1 Rh1 119.67(17) . . ?
N2 N1 Rh1 122.78(17) . . ?
C7 N2 N1 108.1(2) . . ?
C7 N2 C8 121.4(2) . . ?
N1 N2 C8 119.1(2) . . ?
C14 N3 N4 107.9(2) . . ?
C14 N3 Rh1 136.18(18) . . ?
N4 N3 Rh1 115.92(17) . . ?
C20 N4 N3 108.7(2) . . ?
C20 N4 C21 135.6(3) . . ?
N3 N4 C21 114.5(2) . . ?
C14 O2 H2 109.5 . . ?
C26 Rh1 N3 77.44(10) . . ?
C26 Rh1 N1 96.64(10) . . ?
N3 Rh1 N1 87.78(9) . . ?
C26 Rh1 C28 111.41(11) . . ?
N3 Rh1 C28 100.12(10) . . ?
N1 Rh1 C28 151.86(11) . . ?
C26 Rh1 C31 109.05(11) . . ?
N3 Rh1 C31 164.69(10) . . ?
N1 Rh1 C31 104.80(10) . . ?
C28 Rh1 C31 64.70(11) . . ?
C26 Rh1 C27 91.76(11) . . ?
N3 Rh1 C27 129.67(10) . . ?
N1 Rh1 C27 142.54(10) . . ?
C28 Rh1 C27 38.72(11) . . ?
C31 Rh1 C27 38.58(11) . . ?
C26 Rh1 C30 147.08(11) . . ?
N3 Rh1 C30 134.61(10) . . ?
N1 Rh1 C30 92.65(10) . . ?
C28 Rh1 C30 62.60(11) . . ?
C31 Rh1 C30 38.08(11) . . ?
C27 Rh1 C30 63.02(11) . . ?
C26 Rh1 C29 149.50(11) . . ?
N3 Rh1 C29 104.15(9) . . ?
N1 Rh1 C29 113.82(10) . . ?
C28 Rh1 C29 38.09(11) . . ?
C31 Rh1 C29 63.03(10) . . ?
C27 Rh1 C29 63.36(11) . . ?
C30 Rh1 C29 35.95(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.2538(10) . ?
C1 N1 1.351(3) . ?
C1 C2 1.456(4) . ?
C2 C7 1.383(4) . ?
C2 C3 1.388(4) . ?
C3 C4 1.384(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.366(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.407(4) . ?
C6 H6 0.9300 . ?
C7 N2 1.384(4) . ?
C8 C13 1.382(5) . ?
C8 C9 1.383(4) . ?
C8 N2 1.426(4) . ?
C9 C10 1.365(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.359(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.385(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.388(5) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 N3 1.297(3) . ?
C14 O2 1.3362(10) . ?
C14 C15 1.416(4) . ?
C15 C20 1.386(5) . ?
C15 C16 1.387(4) . ?
C16 C17 1.372(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.380(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.371(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.408(4) . ?
C19 H19 0.9300 . ?
C20 N4 1.367(4) . ?
C21 C22 1.394(4) . ?
C21 N4 1.399(4) . ?
C21 C26 1.401(4) . ?
C22 C23 1.378(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.360(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.391(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.394(4) . ?
C25 H25 0.9300 . ?
C26 Rh1 2.043(3) . ?
C27 C28 1.429(4) . ?
C27 C31 1.429(4) . ?
C27 C32 1.491(4) . ?
C27 Rh1 2.168(3) . ?
C28 C29 1.444(4) . ?
C28 C33 1.502(4) . ?
C28 Rh1 2.143(3) . ?
C29 C30 1.398(4) . ?
C29 C34 1.501(4) . ?
C29 Rh1 2.268(3) . ?
C30 C31 1.445(4) . ?
C30 C35 1.498(4) . ?
C30 Rh1 2.260(3) . ?
C31 C36 1.501(4) . ?
C31 Rh1 2.160(3) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
N1 N2 1.420(3) . ?
N1 Rh1 2.137(2) . ?
N3 N4 1.398(3) . ?
N3 Rh1 2.056(2) . ?
O2 H2 0.8200 . ?
