# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2070331'
loop_
_audit_author_name
_audit_author_address
'Takanori Iwasaki'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-03-15 deposited with the CCDC.	2021-05-28 downloaded from the CCDC.
;
_audit_creation_date             2021-03-15
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H30 Cl N4 Rh'
_chemical_formula_sum            'C20 H30 Cl N4 Rh'
_chemical_formula_weight         464.84
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C80 H116 Cl4 N16 Rh4 '
_chemical_oxdiff_usercomment     
'0.50 0.40 0.30 orange chunk THF hexane parafin oil -180deg'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   8.79000(10)
_cell_length_b                   13.1300(2)
_cell_length_c                   17.9482(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2071.45(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    31759
_cell_measurement_temperature    93.15
_cell_measurement_theta_max      28.3800
_cell_measurement_theta_min      2.2760
_shelx_estimated_absorpt_T_max   0.761
_shelx_estimated_absorpt_T_min   0.644
_exptl_absorpt_coefficient_mu    0.965
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60685
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.72a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             960
_exptl_crystal_recrystallization_method 
'crystalized from a THF solution by vapour diffusion with hexane at room temperature'
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34744
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.306
_diffrn_reflns_theta_min         2.269
_diffrn_ambient_temperature      93.15
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -84.00  94.00   0.50    1.00    --    5.00  43.00 -79.00  356
  2  ω   -105.00  74.00   0.50    1.00    --  -15.80  43.00 -79.00  358
  3  ω    -84.00  94.00   0.50    1.00    --    5.00   9.00  30.00  356
  4  ω   -105.00  74.00   0.50    1.00    --  -15.80  18.00  30.00  358
  5  ω   -105.00  59.00   0.50    1.00    --  -15.80  55.00-180.00  328
  6  ω   -105.00 -34.00   0.50    1.00    --  -15.80  18.00-120.00  142
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0544956000
_diffrn_orient_matrix_UB_12      0.0117512000
_diffrn_orient_matrix_UB_13      0.0278460000
_diffrn_orient_matrix_UB_21      0.0096316000
_diffrn_orient_matrix_UB_22      -0.0526969000
_diffrn_orient_matrix_UB_23      0.0073643000
_diffrn_orient_matrix_UB_31      0.0586972000
_diffrn_orient_matrix_UB_32      -0.0022619000
_diffrn_orient_matrix_UB_33      -0.0270561000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Mo) X-ray DW Source'
_reflns_Friedel_coverage         0.766
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.952
_reflns_number_gt                4746
_reflns_number_total             4782
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.40.72a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.72a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.72a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.919
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.068
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.45(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         4782
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0186
_refine_ls_R_factor_gt           0.0185
_refine_ls_restrained_S_all      1.070
_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)+(0.0316P)²+0.6307P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0493
_refine_special_details          'Refined as a 2-component inversion twin.,Twin'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.55(3)
 0.45(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C7(H7)
3.b Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C9(H9A,H9B,H9C), C5(H5A,H5B,H5C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C10(H10A,H10B,H10C), C19(H19A,H19B,
 H19C), C20(H20A,H20B,H20C)
;
_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 0.55294(2) 0.46732(2) 0.30220(2) 0.01133(6) Uani 1 1 d . . . . .
Cl1 Cl 0.76870(6) 0.58047(4) 0.29842(3) 0.01766(12) Uani 1 1 d . . . . .
N1 N 0.4371(2) 0.54688(15) 0.21803(10) 0.0140(4) Uani 1 1 d . . . . .
N2 N 0.2816(2) 0.55000(16) 0.22587(11) 0.0154(4) Uani 1 1 d . . . . .
N4 N 0.2891(2) 0.57298(17) 0.37339(12) 0.0147(4) Uani 1 1 d . . . . .
N3 N 0.4423(3) 0.56144(15) 0.38101(10) 0.0138(4) Uani 1 1 d . . . . .
C4 C 0.6316(3) 0.5583(2) 0.11665(14) 0.0188(5) Uani 1 1 d . . . . .
H4A H 0.662625 0.626222 0.099799 0.028 Uiso 1 1 calc R U . . .
H4B H 0.636252 0.510588 0.074749 0.028 Uiso 1 1 calc R U . . .
H4C H 0.700215 0.535294 0.156249 0.028 Uiso 1 1 calc R U . . .
C6 C 0.4775(3) 0.5941(2) 0.44977(13) 0.0151(5) Uani 1 1 d . . . . .
C12 C 0.5170(3) 0.32387(19) 0.24403(14) 0.0167(5) Uani 1 1 d . . . . .
C9 C 0.6363(3) 0.5935(2) 0.47882(14) 0.0213(5) Uani 1 1 d . . . . .
H9A H 0.700675 0.552369 0.445909 0.032 Uiso 1 1 calc R U . . .
H9B H 0.637334 0.564216 0.529052 0.032 Uiso 1 1 calc R U . . .
H9C H 0.675223 0.663345 0.480606 0.032 Uiso 1 1 calc R U . . .
C5 C 0.0534(3) 0.5732(2) 0.14867(14) 0.0217(5) Uani 1 1 d . . . . .
H5A H 0.020371 0.516235 0.117293 0.033 Uiso 1 1 calc R U . . .
H5B H 0.025097 0.637636 0.124868 0.033 Uiso 1 1 calc R U . . .
H5C H 0.003939 0.568354 0.197491 0.033 Uiso 1 1 calc R U . . .
C11 C 0.6726(3) 0.33233(19) 0.26512(15) 0.0165(5) Uani 1 1 d . . . . .
C16 C 0.8092(3) 0.3263(2) 0.21558(16) 0.0250(6) Uani 1 1 d . . . . .
H16A H 0.777593 0.334067 0.163530 0.037 Uiso 1 1 calc R U . . .
H16B H 0.858895 0.260057 0.222126 0.037 Uiso 1 1 calc R U . . .
H16C H 0.880653 0.380741 0.228621 0.037 Uiso 1 1 calc R U . . .
C13 C 0.4257(3) 0.32918(18) 0.31045(14) 0.0179(5) Uani 1 1 d . . . . .
C3 C 0.2224(3) 0.56910(19) 0.15840(13) 0.0161(5) Uani 1 1 d . . . . .
C1 C 0.4724(3) 0.56277(18) 0.14589(14) 0.0145(5) Uani 1 1 d . . . . .
C17 C 0.4550(4) 0.3117(2) 0.16762(14) 0.0244(5) Uani 1 1 d . . . . .
H17A H 0.373341 0.361343 0.159598 0.037 Uiso 1 1 calc R U . . .
H17B H 0.414589 0.242662 0.161653 0.037 Uiso 1 1 calc R U . . .
H17C H 0.536210 0.323206 0.131146 0.037 Uiso 1 1 calc R U . . .
C8 C 0.2275(3) 0.61294(19) 0.43532(13) 0.0170(5) Uani 1 1 d . . . . .
C2 C 0.3385(3) 0.5779(2) 0.10651(14) 0.0174(5) Uani 1 1 d . . . . .
H2 H 0.328399 0.591564 0.054761 0.021 Uiso 1 1 calc R U . . .
C7 C 0.3445(3) 0.62715(19) 0.48545(14) 0.0170(5) Uani 1 1 d . . . . .
H7 H 0.336574 0.654011 0.534446 0.020 Uiso 1 1 calc R U . . .
C18 C 0.2565(3) 0.3197(2) 0.31358(17) 0.0271(6) Uani 1 1 d . . . . .
H18A H 0.220384 0.340567 0.362924 0.041 Uiso 1 1 calc R U . . .
H18B H 0.227388 0.248721 0.304409 0.041 Uiso 1 1 calc R U . . .
H18C H 0.210757 0.363470 0.275475 0.041 Uiso 1 1 calc R U . . .
C10 C 0.0607(3) 0.6325(2) 0.44151(15) 0.0254(6) Uani 1 1 d . . . . .
H10A H 0.012475 0.621706 0.392913 0.038 Uiso 1 1 calc R U . . .
H10B H 0.043762 0.702940 0.457596 0.038 Uiso 1 1 calc R U . . .
H10C H 0.016245 0.585760 0.478091 0.038 Uiso 1 1 calc R U . . .
C15 C 0.6801(3) 0.3396(2) 0.34573(15) 0.0194(5) Uani 1 1 d . . . . .
C19 C 0.4832(4) 0.3351(2) 0.45322(16) 0.0298(7) Uani 1 1 d . . . . .
H19A H 0.567442 0.360747 0.483666 0.045 Uiso 1 1 calc R U . . .
H19B H 0.457604 0.265685 0.468820 0.045 Uiso 1 1 calc R U . . .
H19C H 0.394264 0.379276 0.459723 0.045 Uiso 1 1 calc R U . . .
C14 C 0.5292(3) 0.33465(19) 0.37317(14) 0.0203(5) Uani 1 1 d . . . . .
C20 C 0.8241(4) 0.3460(2) 0.38966(18) 0.0317(7) Uani 1 1 d . . . . .
H20A H 0.887468 0.401185 0.369987 0.048 Uiso 1 1 calc R U . . .
H20B H 0.879289 0.281353 0.385780 0.048 Uiso 1 1 calc R U . . .
H20C H 0.799972 0.359615 0.442024 0.048 Uiso 1 1 calc R U . . .
H4 H 0.265(5) 0.561(3) 0.332(2) 0.042(11) 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 Cl1 2.4101(6) . ?
Rh1 N1 2.1000(19) . ?
Rh1 N3 2.115(2) . ?
Rh1 C12 2.177(2) . ?
Rh1 C11 2.166(2) . ?
Rh1 C13 2.136(2) . ?
Rh1 C15 2.162(3) . ?
Rh1 C14 2.168(2) . ?
N1 N2 1.375(3) . ?
N1 C1 1.348(3) . ?
N2 C3 1.342(3) . ?
N4 N3 1.362(3) . ?
N4 C8 1.343(3) . ?
N4 H4 0.79(4) . ?
N3 C6 1.343(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 C1 1.495(3) . ?
C6 C9 1.489(3) . ?
C6 C7 1.402(3) . ?
C12 C11 1.424(4) . ?
C12 C13 1.439(4) . ?
C12 C17 1.484(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 C3 1.497(4) . ?
C11 C16 1.496(4) . ?
C11 C15 1.451(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C13 C18 1.493(4) . ?
C13 C14 1.449(4) . ?
C3 C2 1.386(3) . ?
C1 C2 1.388(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C8 C7 1.379(4) . ?
C8 C10 1.493(4) . ?
C2 H2 0.9500 . ?
C7 H7 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C15 C14 1.416(4) . ?
C15 C20 1.493(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19 C14 1.493(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?

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
N1 Rh1 Cl1 93.14(6) . . ?
N1 Rh1 N3 88.14(7) . . ?
N1 Rh1 C12 90.86(9) . . ?
N1 Rh1 C11 114.93(9) . . ?
N1 Rh1 C13 102.61(9) . . ?
N1 Rh1 C15 153.72(9) . . ?
N1 Rh1 C14 140.86(10) . . ?
N3 Rh1 Cl1 91.17(6) . . ?
N3 Rh1 C12 139.44(9) . . ?
N3 Rh1 C11 155.08(9) . . ?
N3 Rh1 C13 102.06(9) . . ?
N3 Rh1 C15 116.70(9) . . ?
N3 Rh1 C14 91.85(9) . . ?
C12 Rh1 Cl1 129.35(7) . . ?
C11 Rh1 Cl1 96.52(7) . . ?
C11 Rh1 C12 38.28(10) . . ?
C11 Rh1 C14 64.52(10) . . ?
C13 Rh1 Cl1 159.63(7) . . ?
C13 Rh1 C12 38.97(9) . . ?
C13 Rh1 C11 65.22(10) . . ?
C13 Rh1 C15 65.60(10) . . ?
C13 Rh1 C14 39.35(10) . . ?
C15 Rh1 Cl1 94.68(8) . . ?
C15 Rh1 C12 64.97(10) . . ?
C15 Rh1 C11 39.19(9) . . ?
C15 Rh1 C14 38.19(11) . . ?
C14 Rh1 Cl1 125.98(8) . . ?
C14 Rh1 C12 64.70(9) . . ?
N2 N1 Rh1 115.04(14) . . ?
C1 N1 Rh1 131.03(17) . . ?
C1 N1 N2 108.83(19) . . ?
C3 N2 N1 107.39(19) . . ?
N3 N4 H4 110(3) . . ?
C8 N4 N3 111.0(2) . . ?
C8 N4 H4 138(3) . . ?
N4 N3 Rh1 116.89(15) . . ?
C6 N3 Rh1 134.05(18) . . ?
C6 N3 N4 106.5(2) . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
N3 C6 C9 122.4(2) . . ?
N3 C6 C7 109.0(2) . . ?
C7 C6 C9 128.5(2) . . ?
C11 C12 Rh1 70.46(15) . . ?
C11 C12 C13 108.2(2) . . ?
C11 C12 C17 127.4(2) . . ?
C13 C12 Rh1 69.00(13) . . ?
C13 C12 C17 124.5(2) . . ?
C17 C12 Rh1 126.11(18) . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
C12 C11 Rh1 71.26(14) . . ?
C12 C11 C16 127.5(2) . . ?
C12 C11 C15 108.3(2) . . ?
C16 C11 Rh1 128.02(18) . . ?
C15 C11 Rh1 70.25(15) . . ?
C15 C11 C16 124.0(3) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C13 Rh1 72.03(14) . . ?
C12 C13 C18 125.6(2) . . ?
C12 C13 C14 107.2(2) . . ?
C18 C13 Rh1 126.52(18) . . ?
C14 C13 Rh1 71.51(14) . . ?
C14 C13 C18 126.9(2) . . ?
N2 C3 C5 119.8(2) . . ?
N2 C3 C2 109.7(2) . . ?
C2 C3 C5 130.5(2) . . ?
N1 C1 C4 123.1(2) . . ?
N1 C1 C2 108.4(2) . . ?
C2 C1 C4 128.4(2) . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N4 C8 C7 107.0(2) . . ?
N4 C8 C10 121.7(2) . . ?
C7 C8 C10 131.3(2) . . ?
C3 C2 C1 105.7(2) . . ?
C3 C2 H2 127.2 . . ?
C1 C2 H2 127.2 . . ?
C6 C7 H7 126.8 . . ?
C8 C7 C6 106.4(2) . . ?
C8 C7 H7 126.8 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C11 C15 Rh1 70.56(15) . . ?
C11 C15 C20 124.6(3) . . ?
C14 C15 Rh1 71.15(15) . . ?
C14 C15 C11 107.5(2) . . ?
C14 C15 C20 127.8(2) . . ?
C20 C15 Rh1 125.8(2) . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
C13 C14 Rh1 69.14(13) . . ?
C13 C14 C19 125.3(3) . . ?
C15 C14 Rh1 70.67(15) . . ?
C15 C14 C13 108.7(2) . . ?
C15 C14 C19 126.0(3) . . ?
C19 C14 Rh1 126.03(19) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 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 N1 N2 C3 -158.39(16) . . . . ?
Rh1 N1 C1 C4 -23.5(3) . . . . ?
Rh1 N1 C1 C2 153.72(18) . . . . ?
Rh1 N3 C6 C9 19.3(4) . . . . ?
Rh1 N3 C6 C7 -161.12(18) . . . . ?
Rh1 C12 C11 C16 -124.0(3) . . . . ?
Rh1 C12 C11 C15 60.81(19) . . . . ?
Rh1 C12 C13 C18 122.5(3) . . . . ?
Rh1 C12 C13 C14 -63.30(16) . . . . ?
Rh1 C11 C15 C14 61.90(18) . . . . ?
Rh1 C11 C15 C20 -120.7(3) . . . . ?
Rh1 C13 C14 C15 -59.82(18) . . . . ?
Rh1 C13 C14 C19 120.1(3) . . . . ?
Rh1 C15 C14 C13 58.88(17) . . . . ?
Rh1 C15 C14 C19 -121.0(3) . . . . ?
N1 N2 C3 C5 177.8(2) . . . . ?
N1 N2 C3 C2 0.3(3) . . . . ?
N1 C1 C2 C3 -0.7(3) . . . . ?
N2 N1 C1 C4 -176.3(2) . . . . ?
N2 N1 C1 C2 0.9(3) . . . . ?
N2 C3 C2 C1 0.2(3) . . . . ?
N4 N3 C6 C9 -179.9(2) . . . . ?
N4 N3 C6 C7 -0.4(3) . . . . ?
N4 C8 C7 C6 0.3(3) . . . . ?
N3 N4 C8 C7 -0.6(3) . . . . ?
N3 N4 C8 C10 -179.5(2) . . . . ?
N3 C6 C7 C8 0.1(3) . . . . ?
C4 C1 C2 C3 176.3(3) . . . . ?
C12 C11 C15 Rh1 -61.45(18) . . . . ?
C12 C11 C15 C14 0.5(3) . . . . ?
C12 C11 C15 C20 177.9(2) . . . . ?
C12 C13 C14 Rh1 63.65(16) . . . . ?
C12 C13 C14 C15 3.8(3) . . . . ?
C12 C13 C14 C19 -176.3(3) . . . . ?
C9 C6 C7 C8 179.6(3) . . . . ?
C5 C3 C2 C1 -176.9(3) . . . . ?
C11 C12 C13 Rh1 59.79(18) . . . . ?
C11 C12 C13 C18 -177.7(2) . . . . ?
C11 C12 C13 C14 -3.5(3) . . . . ?
C11 C15 C14 Rh1 -61.53(19) . . . . ?
C11 C15 C14 C13 -2.6(3) . . . . ?
C11 C15 C14 C19 177.4(2) . . . . ?
C16 C11 C15 Rh1 123.2(3) . . . . ?
C16 C11 C15 C14 -174.9(2) . . . . ?
C16 C11 C15 C20 2.5(4) . . . . ?
C13 C12 C11 Rh1 -58.88(17) . . . . ?
C13 C12 C11 C16 177.1(2) . . . . ?
C13 C12 C11 C15 1.9(3) . . . . ?
C1 N1 N2 C3 -0.7(3) . . . . ?
C17 C12 C11 Rh1 121.0(3) . . . . ?
C17 C12 C11 C16 -3.0(4) . . . . ?
C17 C12 C11 C15 -178.1(2) . . . . ?
C17 C12 C13 Rh1 -120.1(2) . . . . ?
C17 C12 C13 C18 2.4(4) . . . . ?
C17 C12 C13 C14 176.6(2) . . . . ?
C8 N4 N3 Rh1 165.17(16) . . . . ?
C8 N4 N3 C6 0.6(3) . . . . ?
C18 C13 C14 Rh1 -122.2(3) . . . . ?
C18 C13 C14 C15 177.9(2) . . . . ?
C18 C13 C14 C19 -2.1(4) . . . . ?
C10 C8 C7 C6 179.1(3) . . . . ?
C20 C15 C14 Rh1 121.2(3) . . . . ?
C20 C15 C14 C13 -179.9(3) . . . . ?
C20 C15 C14 C19 0.1(5) . . . . ?

_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 1.525
_oxdiff_exptl_absorpt_empirical_full_min 0.758
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.55(3)
2 0.45(3)


####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2070332'
loop_
_audit_author_name
_audit_author_address
'Takanori Iwasaki'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-03-15 deposited with the CCDC.	2021-05-28 downloaded from the CCDC.
;
_audit_creation_date             2020-12-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C18 H31 Cl N2 P Rh'
_chemical_formula_sum            'C18 H31 Cl N2 P Rh'
_chemical_formula_weight         444.78
_exptl_crystal_recrystallization_method ?
_chemical_melting_point          ?
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_diffrn_ambient_temperature      93
_chemical_oxdiff_formula         C23H38N4P1Rh1
_chemical_oxdiff_usercomment     '0.3x0.2x0.4 yellow'
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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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'

_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 21/c'
_space_group_name_Hall           '-P 2ybc'
_chemical_absolute_configuration ?
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                   15.0938(2)
_cell_length_b                   8.81820(10)
_cell_length_c                   16.1353(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.242(2)
_cell_angle_gamma                90
_cell_volume                     2027.63(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    44892
_cell_measurement_temperature    93
_cell_measurement_theta_max      28.7610
_cell_measurement_theta_min      2.6550
_shelx_estimated_absorpt_T_max   0.817
_shelx_estimated_absorpt_T_min   0.678
_exptl_absorpt_coefficient_mu    1.054
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59803
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.72a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0748
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            68991
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.812
_diffrn_reflns_theta_min         2.583
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -100.00  79.00   0.50    0.50    --  -10.30  28.00  30.00  358
  2  ω   -100.00  79.00   0.50    0.50    --  -10.30  55.00-180.00  358
  3  ω   -100.00  79.00   0.50    0.50    --  -10.30  37.00  90.00  358
  4  ω   -100.00  79.00   0.50    0.50    --  -10.30  46.00-120.00  358
  5  ω   -100.00  79.00   0.50    0.50    --  -10.30  55.00 120.00  358
  6  ω   -100.00  79.00   0.50    0.50    --  -10.30  55.00   0.00  358
  7  ω   -100.00  79.00   0.50    0.50    --  -10.30   0.00-150.00  358
  8  ω   -100.00  79.00   0.50    0.50    --  -10.30  46.00 -60.00  358
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0450381000
_diffrn_orient_matrix_UB_12      -0.0074609000
_diffrn_orient_matrix_UB_13      0.0043900000
_diffrn_orient_matrix_UB_21      -0.0207624000
_diffrn_orient_matrix_UB_22      -0.0003122000
_diffrn_orient_matrix_UB_23      -0.0463499000
_diffrn_orient_matrix_UB_31      0.0042345000
_diffrn_orient_matrix_UB_32      -0.0800901000
_diffrn_orient_matrix_UB_33      -0.0002526000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Mo) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4639
_reflns_number_total             5051
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.40.72a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.72a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.72a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.535
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         5051
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0230
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0263P)²+1.2349P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0555
_refine_ls_wR_factor_ref         0.0572
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2)
2.b Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C16(H16A,H16B,H16C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C17(H17A,H17B,H17C), C11(H11A,H11B,H11C), C5(H5A,H5B,H5C), C12(H12A,
 H12B,H12C), C15(H15A,H15B,H15C), C4(H4A,H4B,H4C)
;
_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
Rh1 Rh 0.26555(2) 0.72611(2) 0.57631(2) 0.01282(5) Uani 1 1 d . . . . .
Cl1 Cl 0.33361(3) 0.93211(4) 0.67559(2) 0.01921(8) Uani 1 1 d . . . . .
P1 P 0.39744(3) 0.59233(5) 0.65070(3) 0.01670(9) Uani 1 1 d . . . . .
N1 N 0.20388(9) 0.62380(15) 0.65964(8) 0.0165(3) Uani 1 1 d . . . . .
N2 N 0.21110(10) 0.46955(16) 0.66754(9) 0.0200(3) Uani 1 1 d . . . . .
C8 C 0.26447(11) 0.84849(19) 0.45828(10) 0.0193(3) Uani 1 1 d . . . . .
C3 C 0.14669(11) 0.6777(2) 0.70192(10) 0.0191(3) Uani 1 1 d . . . . .
C9 C 0.27228(12) 0.6912(2) 0.44359(10) 0.0195(3) Uani 1 1 d . . . . .
C18 C 0.40323(13) 0.3952(2) 0.62082(12) 0.0250(4) Uani 1 1 d . . . . .
H18A H 0.349414 0.340070 0.627118 0.037 Uiso 1 1 calc R U . . .
H18B H 0.461520 0.349872 0.659424 0.037 Uiso 1 1 calc R U . . .
H18C H 0.401868 0.388998 0.559768 0.037 Uiso 1 1 calc R U . . .
C16 C 0.41937(12) 0.5829(2) 0.76777(10) 0.0217(3) Uani 1 1 d . . . . .
H16A H 0.408734 0.682958 0.789261 0.033 Uiso 1 1 calc R U . . .
H16B H 0.484468 0.551828 0.797534 0.033 Uiso 1 1 calc R U . . .
H16C H 0.376784 0.508980 0.779945 0.033 Uiso 1 1 calc R U . . .
C6 C 0.12998(12) 0.73195(19) 0.46694(11) 0.0194(3) Uani 1 1 d . . . . .
C13 C 0.32988(13) 0.9724(2) 0.45309(12) 0.0277(4) Uani 1 1 d . . . . .
H13A H 0.337559 1.043955 0.501454 0.042 Uiso 1 1 calc R U . . .
H13B H 0.303996 1.025768 0.396981 0.042 Uiso 1 1 calc R U . . .
H13C H 0.390990 0.928918 0.457448 0.042 Uiso 1 1 calc R U . . .
C14 C 0.34563(13) 0.6174(2) 0.41355(12) 0.0275(4) Uani 1 1 d . . . . .
H14A H 0.404643 0.673749 0.436631 0.041 Uiso 1 1 calc R U . . .
H14B H 0.325087 0.617371 0.349250 0.041 Uiso 1 1 calc R U . . .
H14C H 0.355227 0.512716 0.435074 0.041 Uiso 1 1 calc R U . . .
C1 C 0.15822(12) 0.4276(2) 0.71621(10) 0.0223(3) Uani 1 1 d . . . . .
C7 C 0.17414(11) 0.87377(19) 0.47068(10) 0.0195(3) Uani 1 1 d . . . . .
C17 C 0.50422(11) 0.6753(2) 0.64189(12) 0.0240(4) Uani 1 1 d . . . . .
H17A H 0.503140 0.668825 0.580931 0.036 Uiso 1 1 calc R U . . .
H17B H 0.558741 0.619860 0.679984 0.036 Uiso 1 1 calc R U . . .
H17C H 0.508342 0.781834 0.660005 0.036 Uiso 1 1 calc R U . . .
C2 C 0.11598(12) 0.5547(2) 0.73899(11) 0.0234(4) Uani 1 1 d . . . . .
H2 H 0.074928 0.556631 0.772704 0.028 Uiso 1 1 calc R U . . .
C10 C 0.19221(11) 0.61581(19) 0.45501(10) 0.0189(3) Uani 1 1 d . . . . .
C11 C 0.03619(12) 0.6987(2) 0.47578(13) 0.0282(4) Uani 1 1 d . . . . .
H11A H 0.044411 0.633043 0.526761 0.042 Uiso 1 1 calc R U . . .
H11B H -0.003631 0.647514 0.422652 0.042 Uiso 1 1 calc R U . . .
H11C H 0.006416 0.793899 0.483699 0.042 Uiso 1 1 calc R U . . .
C5 C 0.12079(12) 0.8415(2) 0.70287(12) 0.0247(4) Uani 1 1 d . . . . .
H5A H 0.172669 0.904968 0.699163 0.037 Uiso 1 1 calc R U . . .
H5B H 0.108271 0.864129 0.757439 0.037 Uiso 1 1 calc R U . . .
H5C H 0.064483 0.862715 0.652611 0.037 Uiso 1 1 calc R U . . .
C12 C 0.13797(13) 1.0264(2) 0.48359(12) 0.0271(4) Uani 1 1 d . . . . .
H12A H 0.081412 1.014510 0.500100 0.041 Uiso 1 1 calc R U . . .
H12B H 0.122702 1.084398 0.428875 0.041 Uiso 1 1 calc R U . . .
H12C H 0.186029 1.080371 0.530276 0.041 Uiso 1 1 calc R U . . .
C15 C 0.16770(14) 0.4507(2) 0.44387(12) 0.0271(4) Uani 1 1 d . . . . .
H15A H 0.221741 0.393127 0.440040 0.041 Uiso 1 1 calc R U . . .
H15B H 0.114322 0.436007 0.389975 0.041 Uiso 1 1 calc R U . . .
H15C H 0.150997 0.415035 0.494322 0.041 Uiso 1 1 calc R U . . .
C4 C 0.15367(16) 0.2645(2) 0.73936(14) 0.0337(5) Uani 1 1 d . . . . .
H4A H 0.174107 0.201132 0.699148 0.051 Uiso 1 1 calc R U . . .
H4B H 0.089018 0.238289 0.734375 0.051 Uiso 1 1 calc R U . . .
H4C H 0.194891 0.247064 0.799736 0.051 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
Rh1 Cl1 2.4160(4) . ?
Rh1 P1 2.2848(4) . ?
Rh1 N1 2.0767(13) . ?
Rh1 C8 2.1845(15) . ?
Rh1 C9 2.1988(15) . ?
Rh1 C6 2.2190(16) . ?
Rh1 C7 2.2258(16) . ?
Rh1 C10 2.1388(16) . ?
P1 C18 1.8142(18) . ?
P1 C16 1.8090(16) . ?
P1 C17 1.8176(17) . ?
N1 N2 1.3672(19) . ?
N1 C3 1.351(2) . ?
N2 C1 1.343(2) . ?
C8 C9 1.419(2) . ?
C8 C13 1.493(2) . ?
C8 C7 1.459(2) . ?
C3 C2 1.390(2) . ?
C3 C5 1.498(3) . ?
C9 C14 1.496(2) . ?
C9 C10 1.443(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C6 C7 1.409(2) . ?
C6 C10 1.445(2) . ?
C6 C11 1.498(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C1 C2 1.397(3) . ?
C1 C4 1.494(2) . ?
C7 C12 1.492(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C2 H2 0.9500 . ?
C10 C15 1.498(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?

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
P1 Rh1 Cl1 86.182(15) . . ?
N1 Rh1 Cl1 94.63(4) . . ?
N1 Rh1 P1 86.24(4) . . ?
N1 Rh1 C8 154.55(6) . . ?
N1 Rh1 C9 138.08(6) . . ?
N1 Rh1 C6 91.86(6) . . ?
N1 Rh1 C7 116.93(6) . . ?
N1 Rh1 C10 100.82(6) . . ?
C8 Rh1 Cl1 94.93(5) . . ?
C8 Rh1 P1 117.90(4) . . ?
C8 Rh1 C9 37.78(6) . . ?
C8 Rh1 C6 63.59(6) . . ?
C8 Rh1 C7 38.62(6) . . ?
C9 Rh1 Cl1 127.24(5) . . ?
C9 Rh1 P1 97.32(4) . . ?
C9 Rh1 C6 63.59(6) . . ?
C9 Rh1 C7 63.39(6) . . ?
C6 Rh1 Cl1 126.09(4) . . ?
C6 Rh1 P1 147.70(4) . . ?
C6 Rh1 C7 36.96(6) . . ?
C7 Rh1 Cl1 95.09(4) . . ?
C7 Rh1 P1 156.52(4) . . ?
C10 Rh1 Cl1 158.05(5) . . ?
C10 Rh1 P1 110.15(5) . . ?
C10 Rh1 C8 64.78(6) . . ?
C10 Rh1 C9 38.84(6) . . ?
C10 Rh1 C6 38.67(6) . . ?
C10 Rh1 C7 64.02(6) . . ?
C18 P1 Rh1 117.72(6) . . ?
C18 P1 C17 104.08(9) . . ?
C16 P1 Rh1 113.58(6) . . ?
C16 P1 C18 103.03(8) . . ?
C16 P1 C17 103.78(8) . . ?
C17 P1 Rh1 113.12(6) . . ?
N2 N1 Rh1 116.98(10) . . ?
C3 N1 Rh1 132.18(11) . . ?
C3 N1 N2 110.34(13) . . ?
C1 N2 N1 106.49(13) . . ?
C9 C8 Rh1 71.66(9) . . ?
C9 C8 C13 127.84(15) . . ?
C9 C8 C7 107.76(14) . . ?
C13 C8 Rh1 126.53(12) . . ?
C7 C8 Rh1 72.22(9) . . ?
C7 C8 C13 124.11(15) . . ?
N1 C3 C2 107.57(15) . . ?
N1 C3 C5 123.84(15) . . ?
C2 C3 C5 128.55(15) . . ?
C8 C9 Rh1 70.57(9) . . ?
C8 C9 C14 126.18(16) . . ?
C8 C9 C10 108.05(14) . . ?
C14 C9 Rh1 130.79(12) . . ?
C10 C9 Rh1 68.34(8) . . ?
C10 C9 C14 125.56(16) . . ?
P1 C18 H18A 109.5 . . ?
P1 C18 H18B 109.5 . . ?
P1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P1 C16 H16A 109.5 . . ?
P1 C16 H16B 109.5 . . ?
P1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C7 C6 Rh1 71.78(9) . . ?
C7 C6 C10 108.41(15) . . ?
C7 C6 C11 128.18(16) . . ?
C10 C6 Rh1 67.66(9) . . ?
C10 C6 C11 123.39(16) . . ?
C11 C6 Rh1 124.93(12) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C1 C2 110.11(15) . . ?
N2 C1 C4 119.76(17) . . ?
C2 C1 C4 130.11(16) . . ?
C8 C7 Rh1 69.16(9) . . ?
C8 C7 C12 123.94(16) . . ?
C6 C7 Rh1 71.26(9) . . ?
C6 C7 C8 107.99(14) . . ?
C6 C7 C12 128.07(15) . . ?
C12 C7 Rh1 125.70(12) . . ?
P1 C17 H17A 109.5 . . ?
P1 C17 H17B 109.5 . . ?
P1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C3 C2 C1 105.49(14) . . ?
C3 C2 H2 127.3 . . ?
C1 C2 H2 127.3 . . ?
C9 C10 Rh1 72.83(9) . . ?
C9 C10 C6 107.41(14) . . ?
C9 C10 C15 128.03(15) . . ?
C6 C10 Rh1 73.67(9) . . ?
C6 C10 C15 123.99(15) . . ?
C15 C10 Rh1 125.77(12) . . ?
C6 C11 H11A 109.5 . . ?
C6 C11 H11B 109.5 . . ?
C6 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 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 N1 N2 C1 -173.44(10) . . . . ?
Rh1 N1 C3 C2 171.70(11) . . . . ?
Rh1 N1 C3 C5 -6.0(2) . . . . ?
Rh1 C8 C9 C14 -126.88(16) . . . . ?
Rh1 C8 C9 C10 58.22(10) . . . . ?
Rh1 C8 C7 C6 -60.98(11) . . . . ?
Rh1 C8 C7 C12 119.76(16) . . . . ?
Rh1 C9 C10 C6 66.09(11) . . . . ?
Rh1 C9 C10 C15 -122.35(17) . . . . ?
Rh1 C6 C7 C8 59.65(11) . . . . ?
Rh1 C6 C7 C12 -121.13(17) . . . . ?
Rh1 C6 C10 C9 -65.53(11) . . . . ?
Rh1 C6 C10 C15 122.48(16) . . . . ?
N1 N2 C1 C2 0.64(18) . . . . ?
N1 N2 C1 C4 -178.08(15) . . . . ?
N1 C3 C2 C1 0.08(18) . . . . ?
N2 N1 C3 C2 0.31(18) . . . . ?
N2 N1 C3 C5 -177.42(14) . . . . ?
N2 C1 C2 C3 -0.45(19) . . . . ?
C8 C9 C10 Rh1 -59.61(11) . . . . ?
C8 C9 C10 C6 6.48(17) . . . . ?
C8 C9 C10 C15 178.05(16) . . . . ?
C3 N1 N2 C1 -0.59(17) . . . . ?
C9 C8 C7 Rh1 63.28(10) . . . . ?
C9 C8 C7 C6 2.30(17) . . . . ?
C9 C8 C7 C12 -176.96(15) . . . . ?
C13 C8 C9 Rh1 122.45(17) . . . . ?
C13 C8 C9 C14 -4.4(3) . . . . ?
C13 C8 C9 C10 -179.33(16) . . . . ?
C13 C8 C7 Rh1 -122.53(16) . . . . ?
C13 C8 C7 C6 176.49(15) . . . . ?
C13 C8 C7 C12 -2.8(2) . . . . ?
C14 C9 C10 Rh1 125.46(16) . . . . ?
C14 C9 C10 C6 -168.45(15) . . . . ?
C14 C9 C10 C15 3.1(3) . . . . ?
C7 C8 C9 Rh1 -63.64(10) . . . . ?
C7 C8 C9 C14 169.47(16) . . . . ?
C7 C8 C9 C10 -5.42(17) . . . . ?
C7 C6 C10 Rh1 60.46(12) . . . . ?
C7 C6 C10 C9 -5.06(18) . . . . ?
C7 C6 C10 C15 -177.05(15) . . . . ?
C10 C6 C7 Rh1 -57.91(11) . . . . ?
C10 C6 C7 C8 1.74(18) . . . . ?
C10 C6 C7 C12 -179.04(15) . . . . ?
C11 C6 C7 Rh1 120.53(18) . . . . ?
C11 C6 C7 C8 -179.82(16) . . . . ?
C11 C6 C7 C12 -0.6(3) . . . . ?
C11 C6 C10 Rh1 -118.07(16) . . . . ?
C11 C6 C10 C9 176.41(15) . . . . ?
C11 C6 C10 C15 4.4(3) . . . . ?
C5 C3 C2 C1 177.67(16) . . . . ?
C4 C1 C2 C3 178.09(18) . . . . ?

_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 1.307
_oxdiff_exptl_absorpt_empirical_full_min 0.706


