# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_slc-20220107
_database_code_depnum_ccdc_archive 'CCDC 2143654'
loop_
_audit_author_name
_audit_author_address
slcdisanpiandanjing
;Henan Normal University
China
;
_audit_update_record             
;
2022-01-21 deposited with the CCDC.	2022-05-30 downloaded from the CCDC.
;
_audit_creation_date             2022-01-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H22 Cl N O'
_chemical_formula_sum            'C29 H22 Cl N O'
_chemical_formula_weight         435.92
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 O1 Cl1 N1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   16.7731(3)
_cell_length_b                   7.1332(2)
_cell_length_c                   19.2367(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.828(2)
_cell_angle_gamma                90
_cell_volume                     2224.95(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5461
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.9580
_cell_measurement_theta_min      4.0470
_shelx_estimated_absorpt_T_max   0.850
_shelx_estimated_absorpt_T_min   0.850
_exptl_absorpt_coefficient_mu    1.679
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72228
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            10420
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.966
_diffrn_reflns_theta_min         4.050
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0521
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -73.00  24.00   1.00    1.61    --  -35.62  96.00  83.00   97
  2  ω     -2.00  73.00   1.00    1.61    --   35.62 -96.00 -25.00   75
  3  ω     38.00 109.00   1.00    6.44    --  107.12 -96.00 -25.00   71
  4  ω    104.00 177.00   1.00    6.44    --  107.12  96.00  83.00   73
  5  ω   -107.00 -42.00   1.00    1.61    --  -35.62-178.00-120.00   65
  6  ω   -103.00 -22.00   1.00    1.61    --  -35.62 -57.00 120.00   81
  7  ω    -61.00  19.00   1.00    1.61    --  -35.62  77.00-120.00   80
  8  ω     73.00 107.00   1.00    1.61    --   35.62-178.00 -90.00   34
  9  ω     50.00  75.00   1.00    6.44    --  107.12 -30.00 150.00   25
 10  ω     82.00 129.00   1.00    6.44    --  107.12 -30.00 150.00   47
 11  ω     38.00 101.00   1.00    6.44    --  107.12-111.00 -60.00   63
 12  ω     88.00 113.00   1.00    6.44    --  107.12-111.00  60.00   25
 13  ω    101.00 177.00   1.00    6.44    --  107.12 111.00-180.00   76
 14  ω    101.00 128.00   1.00    6.44    --  107.12 111.00-120.00   27
 15  ω    145.00 170.00   1.00    6.44    --  107.12 111.00-120.00   25
 16  ω     38.00  67.00   1.00    6.44    --  107.12-111.00  60.00   29
 17  ω    148.00 174.00   1.00    6.44    --  107.12  61.00 -30.00   26
 18  ω    107.00 133.00   1.00    6.44    --  107.12  61.00 -30.00   26
 19  ω     42.00 122.00   1.00    6.44    --  107.12 -45.00  30.00   80
 20  ω     90.00 167.00   1.00    6.44    --  107.12  45.00-180.00   77
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0175734000
_diffrn_orient_matrix_UB_12      -0.1758431000
_diffrn_orient_matrix_UB_13      -0.0480045000
_diffrn_orient_matrix_UB_21      -0.0356353000
_diffrn_orient_matrix_UB_22      -0.0993472000
_diffrn_orient_matrix_UB_23      0.0564861000
_diffrn_orient_matrix_UB_31      -0.0863145000
_diffrn_orient_matrix_UB_32      0.0767250000
_diffrn_orient_matrix_UB_33      -0.0369223000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3517
_reflns_number_total             4246
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.256
_refine_diff_density_min         -0.179
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4246
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0490
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0493P)²+1.2823P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1322
_refine_ls_wR_factor_ref         0.1374
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C26(H26), C22(H22), C12(H12), C15(H15), C2(H2), C28(H28), C13(H13), C24(H24),
 C25(H25), C32(H32), C3(H3), C23(H23), C31(H31), C29(H29), C30(H30)
2.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Cl17 Cl 0.80040(4) 0.60424(11) 0.61900(3) 0.0671(2) Uani 1 1 d . . . . .
O19 O 0.53703(12) 0.6579(3) 0.08751(9) 0.0649(5) Uani 1 1 d . . . . .
N16 N 0.76862(11) 0.6004(3) 0.40768(11) 0.0477(5) Uani 1 1 d . . . . .
C21 C 0.43034(12) 0.0935(3) 0.28160(11) 0.0404(5) Uani 1 1 d . . . . .
C9 C 0.54905(12) 0.3147(3) 0.29724(11) 0.0376(4) Uani 1 1 d . . . . .
C10 C 0.58903(12) 0.4732(3) 0.26766(11) 0.0381(5) Uani 1 1 d . . . . .
C11 C 0.68680(13) 0.6012(3) 0.38340(12) 0.0410(5) Uani 1 1 d . . . . .
C5 C 0.55908(13) 0.5029(3) 0.19453(12) 0.0427(5) Uani 1 1 d . . . . .
C1 C 0.65188(13) 0.5976(3) 0.30398(12) 0.0413(5) Uani 1 1 d . . . . .
C27 C 0.59414(13) 0.2242(3) 0.36580(11) 0.0415(5) Uani 1 1 d . . . . .
C14 C 0.75412(15) 0.6053(3) 0.52723(12) 0.0462(5) Uani 1 1 d . . . . .
C8 C 0.47404(13) 0.2547(3) 0.25913(11) 0.0413(5) Uani 1 1 d . . . . .
C26 C 0.46259(14) -0.0862(3) 0.28857(13) 0.0481(5) Uani 1 1 d . . . . .
H26 H 0.514250 -0.107632 0.280644 0.058 Uiso 1 1 calc R U . . .
C22 C 0.35230(14) 0.1207(4) 0.29312(13) 0.0493(6) Uani 1 1 d . . . . .
H22 H 0.329112 0.239988 0.288289 0.059 Uiso 1 1 calc R U . . .
C12 C 0.63518(14) 0.6111(3) 0.42997(13) 0.0482(5) Uani 1 1 d . . . . .
H12 H 0.578269 0.617242 0.411688 0.058 Uiso 1 1 calc R U . . .
C15 C 0.80093(14) 0.6023(4) 0.47841(13) 0.0505(6) Uani 1 1 d . . . . .
H15 H 0.858043 0.601518 0.495559 0.061 Uiso 1 1 calc R U . . .
C2 C 0.68041(14) 0.7356(3) 0.26415(13) 0.0481(5) Uani 1 1 d . . . . .
H2 H 0.724300 0.810583 0.287947 0.058 Uiso 1 1 calc R U . . .
C4 C 0.58359(15) 0.6479(4) 0.15791(13) 0.0505(6) Uani 1 1 d . . . . .
C28 C 0.67574(14) 0.1716(3) 0.37488(14) 0.0500(6) Uani 1 1 d . . . . .
H28 H 0.700097 0.184319 0.336803 0.060 Uiso 1 1 calc R U . . .
C7 C 0.42914(13) 0.3457(4) 0.18743(12) 0.0469(5) Uani 1 1 d . . . . .
H7A H 0.387873 0.260348 0.160055 0.056 Uiso 1 1 calc R U . . .
H7B H 0.401521 0.459246 0.196403 0.056 Uiso 1 1 calc R U . . .
C13 C 0.66914(15) 0.6116(4) 0.50287(13) 0.0521(6) Uani 1 1 d . . . . .
H13 H 0.636019 0.616060 0.534908 0.063 Uiso 1 1 calc R U . . .
C24 C 0.34228(16) -0.2051(4) 0.31887(13) 0.0582(7) Uani 1 1 d . . . . .
H24 H 0.313090 -0.304640 0.331579 0.070 Uiso 1 1 calc R U . . .
C6 C 0.49171(14) 0.3922(4) 0.14500(12) 0.0467(5) Uani 1 1 d . . . . .
C25 C 0.41894(16) -0.2345(4) 0.30718(14) 0.0559(6) Uani 1 1 d . . . . .
H25 H 0.441480 -0.354434 0.311804 0.067 Uiso 1 1 calc R U . . .
C32 C 0.55882(16) 0.1966(4) 0.42288(12) 0.0525(6) Uani 1 1 d . . . . .
H32 H 0.503639 0.226960 0.417423 0.063 Uiso 1 1 calc R U . . .
C3 C 0.64681(15) 0.7665(4) 0.19132(14) 0.0545(6) Uani 1 1 d . . . . .
H3 H 0.665764 0.861449 0.166505 0.065 Uiso 1 1 calc R U . . .
C23 C 0.30926(15) -0.0284(4) 0.31167(14) 0.0580(7) Uani 1 1 d . . . . .
H23 H 0.257371 -0.008457 0.319327 0.070 Uiso 1 1 calc R U . . .
C31 C 0.6041(2) 0.1249(4) 0.48752(14) 0.0678(8) Uani 1 1 d . . . . .
H31 H 0.579647 0.107670 0.525292 0.081 Uiso 1 1 calc R U . . .
C18 C 0.46463(16) 0.5403(5) 0.08481(13) 0.0612(7) Uani 1 1 d . . . . .
H18A H 0.446452 0.479809 0.038277 0.073 Uiso 1 1 calc R U . . .
H18B H 0.419641 0.615523 0.092855 0.073 Uiso 1 1 calc R U . . .
C29 C 0.72142(18) 0.1004(4) 0.43971(16) 0.0661(8) Uani 1 1 d . . . . .
H29 H 0.776267 0.066907 0.445177 0.079 Uiso 1 1 calc R U . . .
C20 C 0.52487(18) 0.2165(4) 0.11706(15) 0.0667(8) Uani 1 1 d . . . . .
H20A H 0.567066 0.250755 0.093855 0.100 Uiso 1 1 calc R U . . .
H20B H 0.480826 0.154132 0.083185 0.100 Uiso 1 1 calc R U . . .
H20C H 0.547613 0.133773 0.156527 0.100 Uiso 1 1 calc R U . . .
C30 C 0.6858(2) 0.0790(4) 0.49594(16) 0.0731(9) Uani 1 1 d . . . . .
H30 H 0.716908 0.033536 0.539843 0.088 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Cl17 C14 1.737(2) . ?
O19 C4 1.381(3) . ?
O19 C18 1.466(3) . ?
N16 C11 1.332(3) . ?
N16 C15 1.330(3) . ?
C21 C8 1.486(3) . ?
C21 C26 1.385(3) . ?
C21 C22 1.396(3) . ?
C9 C10 1.499(3) . ?
C9 C27 1.489(3) . ?
C9 C8 1.353(3) . ?
C10 C5 1.384(3) . ?
C10 C1 1.418(3) . ?
C11 C1 1.490(3) . ?
C11 C12 1.398(3) . ?
C5 C4 1.372(3) . ?
C5 C6 1.503(3) . ?
C1 C2 1.405(3) . ?
C27 C28 1.387(3) . ?
C27 C32 1.389(3) . ?
C14 C15 1.370(3) . ?
C14 C13 1.383(3) . ?
C8 C7 1.536(3) . ?
C26 H26 0.9300 . ?
C26 C25 1.385(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.383(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.372(3) . ?
C15 H15 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.387(3) . ?
C4 C3 1.380(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.382(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C6 1.522(3) . ?
C13 H13 0.9300 . ?
C24 H24 0.9300 . ?
C24 C25 1.377(4) . ?
C24 C23 1.370(4) . ?
C6 C18 1.547(3) . ?
C6 C20 1.524(4) . ?
C25 H25 0.9300 . ?
C32 H32 0.9300 . ?
C32 C31 1.379(4) . ?
C3 H3 0.9300 . ?
C23 H23 0.9300 . ?
C31 H31 0.9300 . ?
C31 C30 1.377(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C29 H29 0.9300 . ?
C29 C30 1.371(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C30 H30 0.9300 . ?

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
C4 O19 C18 105.11(18) . . ?
C15 N16 C11 118.2(2) . . ?
C26 C21 C8 122.3(2) . . ?
C26 C21 C22 118.2(2) . . ?
C22 C21 C8 119.4(2) . . ?
C27 C9 C10 119.21(18) . . ?
C8 C9 C10 118.50(19) . . ?
C8 C9 C27 122.25(19) . . ?
C5 C10 C9 114.85(19) . . ?
C5 C10 C1 115.8(2) . . ?
C1 C10 C9 129.31(19) . . ?
N16 C11 C1 117.32(19) . . ?
N16 C11 C12 121.8(2) . . ?
C12 C11 C1 120.8(2) . . ?
C10 C5 C6 125.6(2) . . ?
C4 C5 C10 124.0(2) . . ?
C4 C5 C6 110.3(2) . . ?
C10 C1 C11 124.32(19) . . ?
C2 C1 C10 118.9(2) . . ?
C2 C1 C11 116.6(2) . . ?
C28 C27 C9 119.4(2) . . ?
C28 C27 C32 118.0(2) . . ?
C32 C27 C9 122.6(2) . . ?
C15 C14 Cl17 120.75(19) . . ?
C15 C14 C13 119.3(2) . . ?
C13 C14 Cl17 119.90(19) . . ?
C21 C8 C7 115.04(18) . . ?
C9 C8 C21 123.1(2) . . ?
C9 C8 C7 121.8(2) . . ?
C21 C26 H26 119.6 . . ?
C21 C26 C25 120.9(2) . . ?
C25 C26 H26 119.6 . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.5(2) . . ?
C13 C12 H12 120.3 . . ?
N16 C15 C14 123.1(2) . . ?
N16 C15 H15 118.4 . . ?
C14 C15 H15 118.4 . . ?
C1 C2 H2 118.1 . . ?
C3 C2 C1 123.7(2) . . ?
C3 C2 H2 118.1 . . ?
C5 C4 O19 111.9(2) . . ?
C5 C4 C3 121.2(2) . . ?
C3 C4 O19 126.8(2) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 C27 121.0(3) . . ?
C29 C28 H28 119.5 . . ?
C8 C7 H7A 109.9 . . ?
C8 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
C6 C7 C8 109.07(18) . . ?
C6 C7 H7A 109.9 . . ?
C6 C7 H7B 109.9 . . ?
C14 C13 H13 121.0 . . ?
C12 C13 C14 118.0(2) . . ?
C12 C13 H13 121.0 . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C23 C24 C25 119.6(2) . . ?
C5 C6 C7 106.53(18) . . ?
C5 C6 C18 98.3(2) . . ?
C5 C6 C20 111.9(2) . . ?
C7 C6 C18 116.1(2) . . ?
C7 C6 C20 112.0(2) . . ?
C20 C6 C18 111.2(2) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 C26 120.2(2) . . ?
C24 C25 H25 119.9 . . ?
C27 C32 H32 119.4 . . ?
C31 C32 C27 121.2(3) . . ?
C31 C32 H32 119.4 . . ?
C2 C3 H3 122.0 . . ?
C4 C3 C2 116.0(2) . . ?
C4 C3 H3 122.0 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.7(2) . . ?
C24 C23 H23 119.7 . . ?
C32 C31 H31 120.1 . . ?
C30 C31 C32 119.8(3) . . ?
C30 C31 H31 120.1 . . ?
O19 C18 C6 106.40(19) . . ?
O19 C18 H18A 110.4 . . ?
O19 C18 H18B 110.4 . . ?
C6 C18 H18A 110.4 . . ?
C6 C18 H18B 110.4 . . ?
H18A C18 H18B 108.6 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0(3) . . ?
C30 C29 H29 120.0 . . ?
C6 C20 H20A 109.5 . . ?
C6 C20 H20B 109.5 . . ?
C6 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C31 C30 H30 119.9 . . ?
C29 C30 C31 120.1(3) . . ?
C29 C30 H30 119.9 . . ?

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
_geom_torsion_publ_flag
Cl17 C14 C15 N16 179.06(19) . . . . ?
Cl17 C14 C13 C12 -179.62(19) . . . . ?
O19 C4 C3 C2 175.5(2) . . . . ?
N16 C11 C1 C10 131.0(2) . . . . ?
N16 C11 C1 C2 -53.2(3) . . . . ?
N16 C11 C12 C13 -2.9(4) . . . . ?
C21 C8 C7 C6 -138.9(2) . . . . ?
C21 C26 C25 C24 0.2(4) . . . . ?
C21 C22 C23 C24 -0.2(4) . . . . ?
C9 C10 C5 C4 175.7(2) . . . . ?
C9 C10 C5 C6 0.3(3) . . . . ?
C9 C10 C1 C11 -5.0(4) . . . . ?
C9 C10 C1 C2 179.3(2) . . . . ?
C9 C27 C28 C29 175.0(2) . . . . ?
C9 C27 C32 C31 -175.2(2) . . . . ?
C9 C8 C7 C6 39.1(3) . . . . ?
C10 C9 C27 C28 -47.9(3) . . . . ?
C10 C9 C27 C32 129.4(2) . . . . ?
C10 C9 C8 C21 177.21(19) . . . . ?
C10 C9 C8 C7 -0.6(3) . . . . ?
C10 C5 C4 O19 -172.7(2) . . . . ?
C10 C5 C4 C3 6.2(4) . . . . ?
C10 C5 C6 C7 36.8(3) . . . . ?
C10 C5 C6 C18 157.3(2) . . . . ?
C10 C5 C6 C20 -85.8(3) . . . . ?
C10 C1 C2 C3 4.5(3) . . . . ?
C11 N16 C15 C14 -0.1(4) . . . . ?
C11 C1 C2 C3 -171.6(2) . . . . ?
C11 C12 C13 C14 1.0(4) . . . . ?
C5 C10 C1 C11 174.0(2) . . . . ?
C5 C10 C1 C2 -1.7(3) . . . . ?
C5 C4 C3 C2 -3.2(4) . . . . ?
C5 C6 C18 O19 27.0(2) . . . . ?
C1 C10 C5 C4 -3.5(3) . . . . ?
C1 C10 C5 C6 -178.8(2) . . . . ?
C1 C11 C12 C13 179.1(2) . . . . ?
C1 C2 C3 C4 -2.0(4) . . . . ?
C27 C9 C10 C5 157.49(19) . . . . ?
C27 C9 C10 C1 -23.5(3) . . . . ?
C27 C9 C8 C21 -0.5(3) . . . . ?
C27 C9 C8 C7 -178.3(2) . . . . ?
C27 C28 C29 C30 0.7(4) . . . . ?
C27 C32 C31 C30 -0.2(4) . . . . ?
C8 C21 C26 C25 -177.7(2) . . . . ?
C8 C21 C22 C23 177.8(2) . . . . ?
C8 C9 C10 C5 -20.3(3) . . . . ?
C8 C9 C10 C1 158.7(2) . . . . ?
C8 C9 C27 C28 129.8(2) . . . . ?
C8 C9 C27 C32 -52.9(3) . . . . ?
C8 C7 C6 C5 -52.1(2) . . . . ?
C8 C7 C6 C18 -160.4(2) . . . . ?
C8 C7 C6 C20 70.5(2) . . . . ?
C26 C21 C8 C9 -61.5(3) . . . . ?
C26 C21 C8 C7 116.5(2) . . . . ?
C26 C21 C22 C23 0.6(3) . . . . ?
C22 C21 C8 C9 121.5(2) . . . . ?
C22 C21 C8 C7 -60.5(3) . . . . ?
C22 C21 C26 C25 -0.7(3) . . . . ?
C12 C11 C1 C10 -51.0(3) . . . . ?
C12 C11 C1 C2 124.8(2) . . . . ?
C15 N16 C11 C1 -179.6(2) . . . . ?
C15 N16 C11 C12 2.4(3) . . . . ?
C15 C14 C13 C12 1.2(4) . . . . ?
C4 O19 C18 C6 -26.8(3) . . . . ?
C4 C5 C6 C7 -139.1(2) . . . . ?
C4 C5 C6 C18 -18.6(2) . . . . ?
C4 C5 C6 C20 98.3(2) . . . . ?
C28 C27 C32 C31 2.2(4) . . . . ?
C28 C29 C30 C31 1.3(4) . . . . ?
C7 C6 C18 O19 140.0(2) . . . . ?
C13 C14 C15 N16 -1.7(4) . . . . ?
C6 C5 C4 O19 3.2(3) . . . . ?
C6 C5 C4 C3 -177.9(2) . . . . ?
C25 C24 C23 C22 -0.3(4) . . . . ?
C32 C27 C28 C29 -2.4(4) . . . . ?
C32 C31 C30 C29 -1.5(4) . . . . ?
C23 C24 C25 C26 0.3(4) . . . . ?
C18 O19 C4 C5 15.1(3) . . . . ?
C18 O19 C4 C3 -163.8(3) . . . . ?
C20 C6 C18 O19 -90.5(3) . . . . ?

_olex2_date_sample_data_collection 2022-01-07
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.426
_oxdiff_exptl_absorpt_empirical_full_min 0.748
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_slc-20220315
_database_code_depnum_ccdc_archive 'CCDC 2158590'
loop_
_audit_author_name
_audit_author_address
'intermidiate A'
;Henan Normal University
China
;
_audit_update_record             
;
2022-03-15 deposited with the CCDC.	2022-05-30 downloaded from the CCDC.
;
_audit_creation_date             2022-03-15
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C25 H29 Cl N O Rh)'
_chemical_formula_sum            'C50 H58 Cl2 N2 O2 Rh2'
_chemical_formula_weight         995.70
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Rh1 Cl1 C1 O1 N1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.7457(2)
_cell_length_b                   7.72790(10)
_cell_length_c                   31.2170(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.5280(10)
_cell_angle_gamma                90
_cell_volume                     4513.68(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10466
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.2630
_cell_measurement_theta_min      3.8060
_shelx_estimated_absorpt_T_max   0.528
_shelx_estimated_absorpt_T_min   0.528
_exptl_absorpt_coefficient_mu    7.317
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.31554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.42a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            18072
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.506
_diffrn_reflns_theta_min         3.802
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0521
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -60.00 -16.00   1.00    1.00    --  -35.62  76.00  60.00   44
  2  ω     -2.00  32.00   1.00    1.00    --  -35.62  76.00  60.00   34
  3  ω      2.00  29.00   1.00    1.00    --   35.62 -76.00 -66.00   27
  4  ω     32.00  57.00   1.00    1.00    --   35.62  76.00  60.00   25
  5  ω     44.00 120.00   1.00    3.82    --  107.12 -76.00 -66.00   76
  6  ω     85.00 173.00   1.00    3.82    --  107.12  76.00  60.00   88
  7  ω    -97.00 -26.00   1.00    1.00    --  -35.62 -76.00 -66.00   71
  8  ω      2.00  72.00   1.00    1.00    --   35.62 -99.00-120.00   70
  9  ω     58.00 106.00   1.00    1.00    --   35.62 178.00  90.00   48
 10  ω      1.00  75.00   1.00    1.00    --   35.62 -99.00 120.00   74
 11  ω     85.00 124.00   1.00    3.82    --  107.12 -45.00  60.00   39
 12  ω    100.00 175.00   1.00    3.82    --  107.12 111.00   0.00   75
 13  ω     39.00  79.00   1.00    3.82    --  107.12 -45.00  60.00   40
 14  ω    118.00 166.00   1.00    3.82    --  107.12 111.00  30.00   48
 15  ω     84.00 124.00   1.00    3.82    --  107.12 -61.00 -30.00   40
 16  ω     81.00 107.00   1.00    3.82    --  107.12 -95.00-180.00   26
 17  ω     43.00 121.00   1.00    3.82    --  107.12 -30.00 -90.00   78
 18  ω     52.00 102.00   1.00    3.82    --  107.12 -95.00 150.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0433801000
_diffrn_orient_matrix_UB_12      -0.1664272000
_diffrn_orient_matrix_UB_13      -0.0062003000
_diffrn_orient_matrix_UB_21      -0.0207437000
_diffrn_orient_matrix_UB_22      0.0048473000
_diffrn_orient_matrix_UB_23      -0.0485224000
_diffrn_orient_matrix_UB_31      0.0668468000
_diffrn_orient_matrix_UB_32      0.1095009000
_diffrn_orient_matrix_UB_33      -0.0072923000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7449
_reflns_number_total             8597
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.42a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.42a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.42a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.216
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         8597
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0466
_refine_ls_restrained_S_all      1.041
_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)+(0.0633P)²+3.2270P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1232
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B), C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C24(H24), C9(H9), C12(H12), C6(H6), C15(H15), C26(H26), C33(H33), C27(H27),
 C14(H14), C7(H7), C13(H13), C32(H32), C30(H30), C31(H31)
2.c Idealised Me refined as rotating group:
 C45(H45A,H45B,H45C), C44(H44A,H44B,H44C), C47(H47A,H47B,H47C), C46(H46A,H46B,
 H46C), C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C57(H57A,H57B,H57C), C48(H48A,
 H48B,H48C), C58(H58A,H58B,H58C), C56(H56A,H56B,H56C), C38(H38A,H38B,H38C),
 C21(H21A,H21B,H21C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.18240(2) 0.12181(4) 0.32006(2) 0.03311(10) Uani 1 1 d . . . . .
Rh2 Rh 0.36651(2) 0.47353(4) 0.11552(2) 0.03612(10) Uani 1 1 d . . . . .
Cl3 Cl 0.23019(6) 0.40013(14) 0.34023(4) 0.0458(2) Uani 1 1 d . . . . .
Cl4 Cl 0.29006(7) 0.22440(17) 0.11415(4) 0.0590(3) Uani 1 1 d . . . . .
N16 N 0.13786(18) 0.2343(5) 0.26328(11) 0.0386(7) Uani 1 1 d . . . . .
O34 O 0.5902(2) 0.1191(5) 0.05766(12) 0.0614(10) Uani 1 1 d . . . . .
N28 N 0.3800(2) 0.4302(5) 0.18183(12) 0.0443(8) Uani 1 1 d . . . . .
O17 O -0.01859(19) 0.2882(6) 0.43354(13) 0.0677(11) Uani 1 1 d . . . . .
C5 C 0.0475(2) 0.3094(6) 0.30915(15) 0.0389(9) Uani 1 1 d . . . . .
C11 C 0.0748(2) 0.3206(6) 0.26676(15) 0.0404(9) Uani 1 1 d . . . . .
C10 C 0.0884(2) 0.2173(6) 0.33980(15) 0.0400(9) Uani 1 1 d . . . . .
C23 C 0.4566(2) 0.3272(6) 0.11941(14) 0.0389(9) Uani 1 1 d . . . . .
C25 C 0.5582(2) 0.1720(6) 0.09367(15) 0.0443(10) Uani 1 1 d . . . . .
C43 C 0.2665(2) -0.0704(5) 0.30051(15) 0.0394(9) Uani 1 1 d . . . . .
C22 C 0.4843(2) 0.2909(6) 0.16134(14) 0.0426(9) Uani 1 1 d . . . . .
C42 C 0.2834(2) -0.0128(6) 0.34277(17) 0.0470(11) Uani 1 1 d . . . . .
C53 C 0.3632(3) 0.5938(7) 0.05296(15) 0.0479(11) Uani 1 1 d . . . . .
C29 C 0.4404(3) 0.3460(6) 0.19566(14) 0.0447(10) Uani 1 1 d . . . . .
C24 C 0.4947(2) 0.2630(6) 0.08570(14) 0.0424(9) Uani 1 1 d . . . . .
H24 H 0.477378 0.281372 0.057514 0.051 Uiso 1 1 calc R U . . .
C9 C 0.0680(2) 0.2102(7) 0.38171(15) 0.0472(10) Uani 1 1 d . . . . .
H9 H 0.096136 0.150991 0.402460 0.057 Uiso 1 1 calc R U . . .
C39 C 0.1961(2) -0.1450(5) 0.30044(15) 0.0401(9) Uani 1 1 d . . . . .
C12 C 0.0436(3) 0.4096(6) 0.23152(17) 0.0491(11) Uani 1 1 d . . . . .
H12 H 0.000958 0.469339 0.233964 0.059 Uiso 1 1 calc R U . . .
C6 C -0.0155(2) 0.3930(7) 0.32101(17) 0.0493(11) Uani 1 1 d . . . . .
H6 H -0.043050 0.456242 0.300742 0.059 Uiso 1 1 calc R U . . .
C41 C 0.2251(3) -0.0547(6) 0.36912(15) 0.0478(11) Uani 1 1 d . . . . .
C15 C 0.1685(2) 0.2379(7) 0.22548(15) 0.0480(10) Uani 1 1 d . . . . .
H15 H 0.211764 0.180378 0.223442 0.058 Uiso 1 1 calc R U . . .
C8 C 0.0055(3) 0.2915(7) 0.39280(17) 0.0520(12) Uani 1 1 d . . . . .
C26 C 0.5857(2) 0.1407(6) 0.13507(17) 0.0491(11) Uani 1 1 d . . . . .
H26 H 0.628645 0.081686 0.140114 0.059 Uiso 1 1 calc R U . . .
C33 C 0.3325(3) 0.4765(8) 0.20975(18) 0.0596(14) Uani 1 1 d . . . . .
H33 H 0.290971 0.533199 0.199712 0.071 Uiso 1 1 calc R U . . .
C40 C 0.1721(2) -0.1430(6) 0.34240(16) 0.0436(10) Uani 1 1 d . . . . .
C27 C 0.5478(3) 0.1994(6) 0.16877(15) 0.0481(11) Uani 1 1 d . . . . .
H27 H 0.564931 0.177340 0.196825 0.058 Uiso 1 1 calc R U . . .
C52 C 0.2936(3) 0.6190(7) 0.06875(19) 0.0546(13) Uani 1 1 d . . . . .
C49 C 0.4131(2) 0.6849(6) 0.08114(15) 0.0450(10) Uani 1 1 d . . . . .
C14 C 0.1395(3) 0.3219(8) 0.18961(16) 0.0565(12) Uani 1 1 d . . . . .
H14 H 0.162069 0.319951 0.163901 0.068 Uiso 1 1 calc R U . . .
C45 C 0.1069(3) -0.2306(7) 0.35714(19) 0.0608(13) Uani 1 1 d . . . . .
H45A H 0.087665 -0.163943 0.379678 0.091 Uiso 1 1 calc R U . . .
H45B H 0.119297 -0.344094 0.367673 0.091 Uiso 1 1 calc R U . . .
H45C H 0.071789 -0.240136 0.333532 0.091 Uiso 1 1 calc R U . . .
C7 C -0.0361(2) 0.3810(7) 0.36232(19) 0.0558(13) Uani 1 1 d . . . . .
H7 H -0.078213 0.433396 0.369793 0.067 Uiso 1 1 calc R U . . .
C13 C 0.0761(3) 0.4090(7) 0.19306(18) 0.0568(13) Uani 1 1 d . . . . .
H13 H 0.055110 0.467343 0.169459 0.068 Uiso 1 1 calc R U . . .
C32 C 0.3430(4) 0.4426(9) 0.25330(19) 0.0724(18) Uani 1 1 d . . . . .
H32 H 0.308807 0.473999 0.272182 0.087 Uiso 1 1 calc R U . . .
C51 C 0.3000(2) 0.7165(6) 0.10718(18) 0.0502(11) Uani 1 1 d . . . . .
C44 C 0.1599(3) -0.2339(7) 0.26251(17) 0.0539(12) Uani 1 1 d . . . . .
H44A H 0.109303 -0.236798 0.265619 0.081 Uiso 1 1 calc R U . . .
H44B H 0.177710 -0.350038 0.260731 0.081 Uiso 1 1 calc R U . . .
H44C H 0.169526 -0.172092 0.236821 0.081 Uiso 1 1 calc R U . . .
C30 C 0.4530(4) 0.3118(8) 0.23934(16) 0.0639(14) Uani 1 1 d . . . . .
H30 H 0.494479 0.254476 0.249187 0.077 Uiso 1 1 calc R U . . .
C47 C 0.3137(3) -0.0645(8) 0.26370(19) 0.0605(14) Uani 1 1 d . . . . .
H47A H 0.295137 0.018179 0.242928 0.091 Uiso 1 1 calc R U . . .
H47B H 0.315180 -0.176771 0.250635 0.091 Uiso 1 1 calc R U . . .
H47C H 0.361064 -0.031018 0.273864 0.091 Uiso 1 1 calc R U . . .
C35 C 0.6564(3) 0.0305(7) 0.06332(19) 0.0576(13) Uani 1 1 d . . . . .
H35A H 0.650402 -0.073662 0.080058 0.069 Uiso 1 1 calc R U . . .
H35B H 0.691294 0.103681 0.078720 0.069 Uiso 1 1 calc R U . . .
C46 C 0.3513(3) 0.0725(8) 0.3595(2) 0.0645(16) Uani 1 1 d . . . . .
H46A H 0.384679 0.074517 0.337371 0.097 Uiso 1 1 calc R U . . .
H46B H 0.371448 0.008839 0.383730 0.097 Uiso 1 1 calc R U . . .
H46C H 0.341316 0.188823 0.368106 0.097 Uiso 1 1 calc R U . . .
C36 C 0.6820(3) -0.0157(7) 0.0202(2) 0.0648(15) Uani 1 1 d . . . . .
C50 C 0.3750(2) 0.7524(6) 0.11573(15) 0.0467(10) Uani 1 1 d . . . . .
C54 C 0.4908(3) 0.7137(8) 0.0742(2) 0.0662(16) Uani 1 1 d . . . . .
H54A H 0.516709 0.728403 0.101459 0.099 Uiso 1 1 calc R U . . .
H54B H 0.495913 0.815534 0.057087 0.099 Uiso 1 1 calc R U . . .
H54C H 0.509289 0.615461 0.059707 0.099 Uiso 1 1 calc R U . . .
C55 C 0.4069(4) 0.8583(8) 0.1521(2) 0.0739(17) Uani 1 1 d . . . . .
H55A H 0.386383 0.824258 0.178260 0.111 Uiso 1 1 calc R U . . .
H55B H 0.397158 0.978566 0.146705 0.111 Uiso 1 1 calc R U . . .
H55C H 0.457640 0.840168 0.154771 0.111 Uiso 1 1 calc R U . . .
C31 C 0.4041(4) 0.3630(8) 0.26779(18) 0.0757(19) Uani 1 1 d . . . . .
H31 H 0.412938 0.342978 0.297011 0.091 Uiso 1 1 calc R U . . .
C18 C 0.0301(3) 0.2362(9) 0.46806(18) 0.0633(14) Uani 1 1 d . . . . .
H18A H 0.073606 0.303751 0.467390 0.076 Uiso 1 1 calc R U . . .
H18B H 0.042382 0.115358 0.464567 0.076 Uiso 1 1 calc R U . . .
C19 C -0.0017(3) 0.2608(9) 0.51047(19) 0.0663(15) Uani 1 1 d . . . . .
C20 C -0.0680(4) 0.3086(11) 0.5140(2) 0.081(2) Uani 1 1 d . . . . .
C57 C 0.3780(4) 0.5175(9) 0.00990(18) 0.0748(18) Uani 1 1 d . . . . .
H57A H 0.426812 0.479745 0.010326 0.112 Uiso 1 1 calc R U . . .
H57B H 0.369675 0.603610 -0.012007 0.112 Uiso 1 1 calc R U . . .
H57C H 0.346858 0.420654 0.003988 0.112 Uiso 1 1 calc R U . . .
C48 C 0.2262(4) -0.0321(10) 0.41684(18) 0.078(2) Uani 1 1 d . . . . .
H48A H 0.248225 0.076481 0.424653 0.117 Uiso 1 1 calc R U . . .
H48B H 0.252833 -0.124704 0.430640 0.117 Uiso 1 1 calc R U . . .
H48C H 0.178083 -0.033443 0.425804 0.117 Uiso 1 1 calc R U . . .
C58 C 0.2399(3) 0.7793(9) 0.1328(3) 0.085(2) Uani 1 1 d . . . . .
H58A H 0.200180 0.701262 0.128991 0.127 Uiso 1 1 calc R U . . .
H58B H 0.225511 0.892649 0.123096 0.127 Uiso 1 1 calc R U . . .
H58C H 0.255636 0.784130 0.162605 0.127 Uiso 1 1 calc R U . . .
C56 C 0.2245(3) 0.5529(11) 0.0481(3) 0.096(3) Uani 1 1 d . . . . .
H56A H 0.231987 0.440706 0.035935 0.143 Uiso 1 1 calc R U . . .
H56B H 0.207599 0.631186 0.025828 0.143 Uiso 1 1 calc R U . . .
H56C H 0.189596 0.544424 0.069255 0.143 Uiso 1 1 calc R U . . .
C37 C 0.6363(6) -0.0294(13) -0.0153(3) 0.095(3) Uani 1 1 d . . . . .
C38 C 0.7579(4) -0.0509(13) 0.0202(4) 0.124(4) Uani 1 1 d . . . . .
H38A H 0.784209 0.052391 0.027779 0.186 Uiso 1 1 calc R U . . .
H38B H 0.769444 -0.087946 -0.007933 0.186 Uiso 1 1 calc R U . . .
H38C H 0.770393 -0.140288 0.040617 0.186 Uiso 1 1 calc R U . . .
C21 C 0.0495(4) 0.2275(13) 0.5485(2) 0.097(3) Uani 1 1 d . . . . .
H21A H 0.070700 0.115305 0.545841 0.145 Uiso 1 1 calc R U . . .
H21B H 0.024195 0.231812 0.574341 0.145 Uiso 1 1 calc R U . . .
H21C H 0.086232 0.314197 0.549736 0.145 Uiso 1 1 calc R U . . .
H20A H -0.086(4) 0.342(9) 0.544(2) 0.08(2) Uiso 1 1 d . . . . .
H20B H -0.100(4) 0.358(10) 0.487(2) 0.09(2) Uiso 1 1 d . . . . .
H37A H 0.653(5) -0.072(14) -0.042(3) 0.15(4) Uiso 1 1 d . . . . .
H37B H 0.595(5) 0.008(12) -0.010(3) 0.11(3) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Rh1 Cl3 2.3991(11) . ?
Rh1 N16 2.100(4) . ?
Rh1 C10 2.040(4) . ?
Rh1 C43 2.277(4) . ?
Rh1 C42 2.238(4) . ?
Rh1 C39 2.170(4) . ?
Rh1 C41 2.167(5) . ?
Rh1 C40 2.175(4) . ?
Rh2 Cl4 2.3988(12) . ?
Rh2 N28 2.097(4) . ?
Rh2 C23 2.029(4) . ?
Rh2 C53 2.160(4) . ?
Rh2 C52 2.240(5) . ?
Rh2 C49 2.168(4) . ?
Rh2 C51 2.260(5) . ?
Rh2 C50 2.161(5) . ?
N16 C11 1.367(6) . ?
N16 C15 1.344(6) . ?
O34 C25 1.368(6) . ?
O34 C35 1.418(6) . ?
N28 C29 1.353(6) . ?
N28 C33 1.334(6) . ?
O17 C8 1.376(6) . ?
O17 C18 1.426(7) . ?
C5 C11 1.451(6) . ?
C5 C10 1.386(6) . ?
C5 C6 1.415(6) . ?
C11 C12 1.395(6) . ?
C10 C9 1.387(7) . ?
C23 C22 1.407(6) . ?
C23 C24 1.400(6) . ?
C25 C24 1.391(6) . ?
C25 C26 1.383(7) . ?
C43 C42 1.410(7) . ?
C43 C39 1.441(6) . ?
C43 C47 1.493(7) . ?
C22 C29 1.454(7) . ?
C22 C27 1.391(7) . ?
C42 C41 1.445(7) . ?
C42 C46 1.498(6) . ?
C53 C52 1.437(7) . ?
C53 C49 1.429(7) . ?
C53 C57 1.509(8) . ?
C29 C30 1.395(7) . ?
C24 H24 0.9300 . ?
C9 H9 0.9300 . ?
C9 C8 1.392(6) . ?
C39 C40 1.411(7) . ?
C39 C44 1.495(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.379(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.372(8) . ?
C41 C40 1.431(7) . ?
C41 C48 1.499(7) . ?
C15 H15 0.9300 . ?
C15 C14 1.377(7) . ?
C8 C7 1.378(8) . ?
C26 H26 0.9300 . ?
C26 C27 1.382(7) . ?
C33 H33 0.9300 . ?
C33 C32 1.387(8) . ?
C40 C45 1.495(7) . ?
C27 H27 0.9300 . ?
C52 C51 1.415(8) . ?
C52 C56 1.501(7) . ?
C49 C50 1.429(7) . ?
C49 C54 1.501(6) . ?
C14 H14 0.9300 . ?
C14 C13 1.376(8) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C7 H7 0.9300 . ?
C13 H13 0.9300 . ?
C32 H32 0.9300 . ?
C32 C31 1.352(10) . ?
C51 C50 1.442(6) . ?
C51 C58 1.501(7) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C30 H30 0.9300 . ?
C30 C31 1.374(9) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.500(8) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C36 C37 1.363(12) . ?
C36 C38 1.448(9) . ?
C50 C55 1.495(7) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C31 H31 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.497(7) . ?
C19 C20 1.308(9) . ?
C19 C21 1.503(9) . ?
C20 H20A 1.05(7) . ?
C20 H20B 1.08(7) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C37 H37A 0.95(11) . ?
C37 H37B 0.85(9) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?

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
N16 Rh1 Cl3 88.46(10) . . ?
N16 Rh1 C43 106.85(15) . . ?
N16 Rh1 C42 138.12(17) . . ?
N16 Rh1 C39 101.70(15) . . ?
N16 Rh1 C41 165.29(16) . . ?
N16 Rh1 C40 128.44(16) . . ?
C10 Rh1 Cl3 84.95(12) . . ?
C10 Rh1 N16 78.43(16) . . ?
C10 Rh1 C43 160.42(17) . . ?
C10 Rh1 C42 143.35(19) . . ?
C10 Rh1 C39 123.24(17) . . ?
C10 Rh1 C41 107.61(19) . . ?
C10 Rh1 C40 98.53(17) . . ?
C43 Rh1 Cl3 113.68(12) . . ?
C42 Rh1 Cl3 92.21(12) . . ?
C42 Rh1 C43 36.38(17) . . ?
C39 Rh1 Cl3 151.28(12) . . ?
C39 Rh1 C43 37.71(16) . . ?
C39 Rh1 C42 62.31(16) . . ?
C39 Rh1 C40 37.90(18) . . ?
C41 Rh1 Cl3 105.24(14) . . ?
C41 Rh1 C43 63.05(18) . . ?
C41 Rh1 C42 38.25(19) . . ?
C41 Rh1 C39 63.68(17) . . ?
C41 Rh1 C40 38.48(18) . . ?
C40 Rh1 Cl3 142.99(13) . . ?
C40 Rh1 C43 63.16(17) . . ?
C40 Rh1 C42 63.31(18) . . ?
N28 Rh2 Cl4 85.72(11) . . ?
N28 Rh2 C53 162.98(18) . . ?
N28 Rh2 C52 139.06(19) . . ?
N28 Rh2 C49 125.53(17) . . ?
N28 Rh2 C51 106.19(18) . . ?
N28 Rh2 C50 98.74(17) . . ?
C23 Rh2 Cl4 92.73(13) . . ?
C23 Rh2 N28 78.59(16) . . ?
C23 Rh2 C53 105.73(18) . . ?
C23 Rh2 C52 142.2(2) . . ?
C23 Rh2 C49 95.20(17) . . ?
C23 Rh2 C51 157.06(17) . . ?
C23 Rh2 C50 119.66(17) . . ?
C53 Rh2 Cl4 110.20(14) . . ?
C53 Rh2 C52 38.06(19) . . ?
C53 Rh2 C49 38.57(19) . . ?
C53 Rh2 C51 63.50(19) . . ?
C53 Rh2 C50 64.64(19) . . ?
C52 Rh2 Cl4 92.94(14) . . ?
C52 Rh2 C51 36.7(2) . . ?
C49 Rh2 Cl4 148.70(14) . . ?
C49 Rh2 C52 63.09(18) . . ?
C49 Rh2 C51 63.46(17) . . ?
C51 Rh2 Cl4 109.87(13) . . ?
C50 Rh2 Cl4 147.59(13) . . ?
C50 Rh2 C52 62.82(19) . . ?
C50 Rh2 C49 38.56(18) . . ?
C50 Rh2 C51 37.99(17) . . ?
C11 N16 Rh1 115.8(3) . . ?
C15 N16 Rh1 125.4(3) . . ?
C15 N16 C11 118.6(4) . . ?
C25 O34 C35 117.7(4) . . ?
C29 N28 Rh2 116.1(3) . . ?
C33 N28 Rh2 123.8(4) . . ?
C33 N28 C29 120.0(5) . . ?
C8 O17 C18 118.2(4) . . ?
C10 C5 C11 116.6(4) . . ?
C10 C5 C6 119.3(4) . . ?
C6 C5 C11 124.0(4) . . ?
N16 C11 C5 113.5(4) . . ?
N16 C11 C12 120.1(4) . . ?
C12 C11 C5 126.4(4) . . ?
C5 C10 Rh1 115.4(3) . . ?
C5 C10 C9 119.9(4) . . ?
C9 C10 Rh1 124.4(3) . . ?
C22 C23 Rh2 115.2(3) . . ?
C24 C23 Rh2 127.9(3) . . ?
C24 C23 C22 116.9(4) . . ?
O34 C25 C24 114.6(4) . . ?
O34 C25 C26 124.0(4) . . ?
C26 C25 C24 121.4(4) . . ?
C42 C43 Rh1 70.3(2) . . ?
C42 C43 C39 106.3(4) . . ?
C42 C43 C47 126.9(4) . . ?
C39 C43 Rh1 67.1(2) . . ?
C39 C43 C47 126.7(4) . . ?
C47 C43 Rh1 129.7(4) . . ?
C23 C22 C29 115.7(4) . . ?
C27 C22 C23 121.3(4) . . ?
C27 C22 C29 122.9(4) . . ?
C43 C42 Rh1 73.3(2) . . ?
C43 C42 C41 109.1(4) . . ?
C43 C42 C46 127.0(5) . . ?
C41 C42 Rh1 68.2(2) . . ?
C41 C42 C46 123.8(5) . . ?
C46 C42 Rh1 126.2(3) . . ?
C52 C53 Rh2 74.0(3) . . ?
C52 C53 C57 125.4(5) . . ?
C49 C53 Rh2 71.0(3) . . ?
C49 C53 C52 107.2(5) . . ?
C49 C53 C57 126.3(5) . . ?
C57 C53 Rh2 129.9(4) . . ?
N28 C29 C22 113.9(4) . . ?
N28 C29 C30 119.4(5) . . ?
C30 C29 C22 126.5(5) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 C23 121.1(4) . . ?
C25 C24 H24 119.5 . . ?
C10 C9 H9 119.9 . . ?
C10 C9 C8 120.1(5) . . ?
C8 C9 H9 119.9 . . ?
C43 C39 Rh1 75.2(2) . . ?
C43 C39 C44 123.8(4) . . ?
C40 C39 Rh1 71.2(2) . . ?
C40 C39 C43 109.8(4) . . ?
C40 C39 C44 125.8(4) . . ?
C44 C39 Rh1 127.2(3) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.9(5) . . ?
C13 C12 H12 120.1 . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.1(5) . . ?
C7 C6 H6 119.9 . . ?
C42 C41 Rh1 73.5(3) . . ?
C42 C41 C48 125.2(5) . . ?
C40 C41 Rh1 71.0(3) . . ?
C40 C41 C42 107.3(4) . . ?
C40 C41 C48 126.9(5) . . ?
C48 C41 Rh1 127.6(4) . . ?
N16 C15 H15 118.2 . . ?
N16 C15 C14 123.7(5) . . ?
C14 C15 H15 118.2 . . ?
O17 C8 C9 123.4(5) . . ?
O17 C8 C7 116.3(4) . . ?
C7 C8 C9 120.3(5) . . ?
C25 C26 H26 120.8 . . ?
C27 C26 C25 118.3(4) . . ?
C27 C26 H26 120.8 . . ?
N28 C33 H33 119.0 . . ?
N28 C33 C32 121.9(6) . . ?
C32 C33 H33 119.0 . . ?
C39 C40 Rh1 70.9(3) . . ?
C39 C40 C41 107.3(4) . . ?
C39 C40 C45 126.5(5) . . ?
C41 C40 Rh1 70.5(3) . . ?
C41 C40 C45 126.1(5) . . ?
C45 C40 Rh1 128.0(3) . . ?
C22 C27 H27 119.5 . . ?
C26 C27 C22 121.0(4) . . ?
C26 C27 H27 119.5 . . ?
C53 C52 Rh2 68.0(2) . . ?
C53 C52 C56 125.8(6) . . ?
C51 C52 Rh2 72.4(3) . . ?
C51 C52 C53 109.4(4) . . ?
C51 C52 C56 124.9(6) . . ?
C56 C52 Rh2 125.8(4) . . ?
C53 C49 Rh2 70.4(3) . . ?
C53 C49 C54 126.0(5) . . ?
C50 C49 Rh2 70.5(3) . . ?
C50 C49 C53 107.8(4) . . ?
C50 C49 C54 126.1(5) . . ?
C54 C49 Rh2 127.3(3) . . ?
C15 C14 H14 121.1 . . ?
C15 C14 C13 117.8(5) . . ?
C13 C14 H14 121.1 . . ?
C40 C45 H45A 109.5 . . ?
C40 C45 H45B 109.5 . . ?
C40 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C6 C7 C8 120.2(4) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0(5) . . ?
C14 C13 H13 120.0 . . ?
C33 C32 H32 120.6 . . ?
C31 C32 C33 118.8(6) . . ?
C31 C32 H32 120.6 . . ?
C52 C51 Rh2 70.9(3) . . ?
C52 C51 C50 106.9(4) . . ?
C52 C51 C58 126.6(5) . . ?
C50 C51 Rh2 67.3(3) . . ?
C50 C51 C58 126.5(6) . . ?
C58 C51 Rh2 129.4(4) . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.9(6) . . ?
C31 C30 H30 120.1 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O34 C35 H35A 109.8 . . ?
O34 C35 H35B 109.8 . . ?
O34 C35 C36 109.3(5) . . ?
H35A C35 H35B 108.3 . . ?
C36 C35 H35A 109.8 . . ?
C36 C35 H35B 109.8 . . ?
C42 C46 H46A 109.5 . . ?
C42 C46 H46B 109.5 . . ?
C42 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C37 C36 C35 121.9(6) . . ?
C37 C36 C38 123.6(7) . . ?
C38 C36 C35 114.5(7) . . ?
C49 C50 Rh2 71.0(3) . . ?
C49 C50 C51 108.5(4) . . ?
C49 C50 C55 125.4(5) . . ?
C51 C50 Rh2 74.7(3) . . ?
C51 C50 C55 125.9(5) . . ?
C55 C50 Rh2 125.1(4) . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C50 C55 H55A 109.5 . . ?
C50 C55 H55B 109.5 . . ?
C50 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C32 C31 C30 120.0(6) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
O17 C18 H18A 109.4 . . ?
O17 C18 H18B 109.4 . . ?
O17 C18 C19 111.2(5) . . ?
H18A C18 H18B 108.0 . . ?
C19 C18 H18A 109.4 . . ?
C19 C18 H18B 109.4 . . ?
C18 C19 C21 114.1(5) . . ?
C20 C19 C18 122.9(6) . . ?
C20 C19 C21 123.0(6) . . ?
C19 C20 H20A 120(4) . . ?
C19 C20 H20B 121(4) . . ?
H20A C20 H20B 116(5) . . ?
C53 C57 H57A 109.5 . . ?
C53 C57 H57B 109.5 . . ?
C53 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C41 C48 H48A 109.5 . . ?
C41 C48 H48B 109.5 . . ?
C41 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C51 C58 H58A 109.5 . . ?
C51 C58 H58B 109.5 . . ?
C51 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C52 C56 H56A 109.5 . . ?
C52 C56 H56B 109.5 . . ?
C52 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C36 C37 H37A 121(6) . . ?
C36 C37 H37B 110(6) . . ?
H37A C37 H37B 129(9) . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

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
_geom_torsion_publ_flag
Rh1 N16 C11 C5 -3.7(5) . . . . ?
Rh1 N16 C11 C12 175.6(3) . . . . ?
Rh1 N16 C15 C14 -176.0(4) . . . . ?
Rh1 C10 C9 C8 174.7(4) . . . . ?
Rh1 C43 C42 C41 59.1(3) . . . . ?
Rh1 C43 C42 C46 -123.1(5) . . . . ?
Rh1 C43 C39 C40 -63.3(3) . . . . ?
Rh1 C43 C39 C44 125.1(4) . . . . ?
Rh1 C42 C41 C40 63.4(3) . . . . ?
Rh1 C42 C41 C48 -124.8(5) . . . . ?
Rh1 C39 C40 C41 -61.4(3) . . . . ?
Rh1 C39 C40 C45 123.6(5) . . . . ?
Rh1 C41 C40 C39 61.7(3) . . . . ?
Rh1 C41 C40 C45 -123.3(5) . . . . ?
Rh2 N28 C29 C22 -3.2(5) . . . . ?
Rh2 N28 C29 C30 -179.7(4) . . . . ?
Rh2 N28 C33 C32 178.9(4) . . . . ?
Rh2 C23 C22 C29 6.7(5) . . . . ?
Rh2 C23 C22 C27 -176.7(4) . . . . ?
Rh2 C23 C24 C25 176.3(3) . . . . ?
Rh2 C53 C52 C51 60.8(4) . . . . ?
Rh2 C53 C52 C56 -119.1(6) . . . . ?
Rh2 C53 C49 C50 -60.8(3) . . . . ?
Rh2 C53 C49 C54 122.5(5) . . . . ?
Rh2 C52 C51 C50 57.9(3) . . . . ?
Rh2 C52 C51 C58 -125.4(5) . . . . ?
Rh2 C49 C50 C51 -65.9(3) . . . . ?
Rh2 C49 C50 C55 120.0(5) . . . . ?
Rh2 C51 C50 C49 63.4(3) . . . . ?
Rh2 C51 C50 C55 -122.5(5) . . . . ?
N16 C11 C12 C13 0.7(7) . . . . ?
N16 C15 C14 C13 1.0(8) . . . . ?
O34 C25 C24 C23 -179.1(4) . . . . ?
O34 C25 C26 C27 -179.3(5) . . . . ?
O34 C35 C36 C37 -22.8(9) . . . . ?
O34 C35 C36 C38 159.6(6) . . . . ?
N28 C29 C30 C31 0.3(8) . . . . ?
N28 C33 C32 C31 1.2(9) . . . . ?
O17 C8 C7 C6 179.1(5) . . . . ?
O17 C18 C19 C20 5.9(10) . . . . ?
O17 C18 C19 C21 -173.5(6) . . . . ?
C5 C11 C12 C13 179.8(5) . . . . ?
C5 C10 C9 C8 1.7(7) . . . . ?
C5 C6 C7 C8 1.8(8) . . . . ?
C11 N16 C15 C14 -0.9(7) . . . . ?
C11 C5 C10 Rh1 2.4(5) . . . . ?
C11 C5 C10 C9 175.9(4) . . . . ?
C11 C5 C6 C7 -177.5(5) . . . . ?
C11 C12 C13 C14 -0.6(8) . . . . ?
C10 C5 C11 N16 0.9(6) . . . . ?
C10 C5 C11 C12 -178.3(4) . . . . ?
C10 C5 C6 C7 -0.7(7) . . . . ?
C10 C9 C8 O17 179.1(5) . . . . ?
C10 C9 C8 C7 -0.7(8) . . . . ?
C23 C22 C29 N28 -2.2(6) . . . . ?
C23 C22 C29 C30 174.0(5) . . . . ?
C23 C22 C27 C26 -0.1(7) . . . . ?
C25 O34 C35 C36 180.0(5) . . . . ?
C25 C26 C27 C22 -1.4(7) . . . . ?
C43 C42 C41 Rh1 -62.3(3) . . . . ?
C43 C42 C41 C40 1.2(5) . . . . ?
C43 C42 C41 C48 173.0(5) . . . . ?
C43 C39 C40 Rh1 65.8(3) . . . . ?
C43 C39 C40 C41 4.4(5) . . . . ?
C43 C39 C40 C45 -170.6(4) . . . . ?
C22 C23 C24 C25 -1.8(7) . . . . ?
C22 C29 C30 C31 -175.7(5) . . . . ?
C42 C43 C39 Rh1 59.7(3) . . . . ?
C42 C43 C39 C40 -3.6(5) . . . . ?
C42 C43 C39 C44 -175.2(4) . . . . ?
C42 C41 C40 Rh1 -65.1(3) . . . . ?
C42 C41 C40 C39 -3.4(5) . . . . ?
C42 C41 C40 C45 171.6(4) . . . . ?
C53 C52 C51 Rh2 -58.1(3) . . . . ?
C53 C52 C51 C50 -0.2(5) . . . . ?
C53 C52 C51 C58 176.6(5) . . . . ?
C53 C49 C50 Rh2 60.8(3) . . . . ?
C53 C49 C50 C51 -5.0(5) . . . . ?
C53 C49 C50 C55 -179.2(5) . . . . ?
C29 N28 C33 C32 0.7(8) . . . . ?
C29 C22 C27 C26 176.2(4) . . . . ?
C29 C30 C31 C32 1.6(10) . . . . ?
C24 C23 C22 C29 -174.9(4) . . . . ?
C24 C23 C22 C27 1.7(7) . . . . ?
C24 C25 C26 C27 1.2(7) . . . . ?
C9 C8 C7 C6 -1.1(8) . . . . ?
C39 C43 C42 Rh1 -57.7(3) . . . . ?
C39 C43 C42 C41 1.4(5) . . . . ?
C39 C43 C42 C46 179.3(5) . . . . ?
C6 C5 C11 N16 177.7(4) . . . . ?
C6 C5 C11 C12 -1.5(7) . . . . ?
C6 C5 C10 Rh1 -174.6(3) . . . . ?
C6 C5 C10 C9 -1.0(7) . . . . ?
C15 N16 C11 C5 -179.2(4) . . . . ?
C15 N16 C11 C12 0.1(6) . . . . ?
C15 C14 C13 C12 -0.2(8) . . . . ?
C8 O17 C18 C19 173.0(5) . . . . ?
C26 C25 C24 C23 0.4(8) . . . . ?
C33 N28 C29 C22 175.1(4) . . . . ?
C33 N28 C29 C30 -1.4(7) . . . . ?
C33 C32 C31 C30 -2.3(10) . . . . ?
C27 C22 C29 N28 -178.7(4) . . . . ?
C27 C22 C29 C30 -2.5(8) . . . . ?
C52 C53 C49 Rh2 65.7(3) . . . . ?
C52 C53 C49 C50 4.8(5) . . . . ?
C52 C53 C49 C54 -171.8(5) . . . . ?
C52 C51 C50 Rh2 -60.2(3) . . . . ?
C52 C51 C50 C49 3.2(5) . . . . ?
C52 C51 C50 C55 177.3(5) . . . . ?
C49 C53 C52 Rh2 -63.7(3) . . . . ?
C49 C53 C52 C51 -2.9(5) . . . . ?
C49 C53 C52 C56 177.2(5) . . . . ?
C44 C39 C40 Rh1 -122.8(4) . . . . ?
C44 C39 C40 C41 175.7(4) . . . . ?
C44 C39 C40 C45 0.8(7) . . . . ?
C47 C43 C42 Rh1 125.4(5) . . . . ?
C47 C43 C42 C41 -175.5(5) . . . . ?
C47 C43 C42 C46 2.4(8) . . . . ?
C47 C43 C39 Rh1 -123.4(5) . . . . ?
C47 C43 C39 C40 173.3(4) . . . . ?
C47 C43 C39 C44 1.7(7) . . . . ?
C35 O34 C25 C24 178.0(4) . . . . ?
C35 O34 C25 C26 -1.6(8) . . . . ?
C46 C42 C41 Rh1 119.8(5) . . . . ?
C46 C42 C41 C40 -176.7(4) . . . . ?
C46 C42 C41 C48 -5.0(8) . . . . ?
C54 C49 C50 Rh2 -122.5(5) . . . . ?
C54 C49 C50 C51 171.6(5) . . . . ?
C54 C49 C50 C55 -2.5(8) . . . . ?
C18 O17 C8 C9 15.5(8) . . . . ?
C18 O17 C8 C7 -164.6(5) . . . . ?
C57 C53 C52 Rh2 127.9(5) . . . . ?
C57 C53 C52 C51 -171.3(5) . . . . ?
C57 C53 C52 C56 8.8(9) . . . . ?
C57 C53 C49 Rh2 -126.0(5) . . . . ?
C57 C53 C49 C50 173.1(5) . . . . ?
C57 C53 C49 C54 -3.5(8) . . . . ?
C48 C41 C40 Rh1 123.3(5) . . . . ?
C48 C41 C40 C39 -175.0(5) . . . . ?
C48 C41 C40 C45 0.0(8) . . . . ?
C58 C51 C50 Rh2 123.0(5) . . . . ?
C58 C51 C50 C49 -173.5(5) . . . . ?
C58 C51 C50 C55 0.5(9) . . . . ?
C56 C52 C51 Rh2 121.8(6) . . . . ?
C56 C52 C51 C50 179.7(5) . . . . ?
C56 C52 C51 C58 -3.5(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.365
_oxdiff_exptl_absorpt_empirical_full_min 0.363
