# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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 1894639'
loop_
_audit_author_name
_audit_author_address
'Marconi N. Penas-Defrutos'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2019-01-30 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;
_audit_creation_date             2019-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B F4, C36 H36 N4 Rh'
_chemical_formula_sum            'C36 H36 B F4 N4 Rh'
_chemical_formula_weight         714.41
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C36 H36 B F4 N4 Rh'
_chemical_oxdiff_usercomment     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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7907(7)
_cell_length_b                   11.9943(7)
_cell_length_c                   13.0642(7)
_cell_angle_alpha                103.531(5)
_cell_angle_beta                 103.457(5)
_cell_angle_gamma                93.287(4)
_cell_volume                     1734.70(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3301
_cell_measurement_temperature    294
_cell_measurement_theta_max      22.4340
_cell_measurement_theta_min      3.7280
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.544
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.748
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             732
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-9 -13 2 0.0348
9 13 -2 0.0731
-1 2 17 0.0869
1 -2 -17 0.0869
10 -14 3 0.0151
-8 15 -5 0.0332

_exptl_crystal_size_max          0.232
_exptl_crystal_size_mid          0.137
_exptl_crystal_size_min          0.062
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-9.0000 -13.0000 2.0000 -0.7018 0.2322 0.6643
9.0000 13.0000 -2.0000 0.7018 -0.2322 -0.6643
-1.0000 2.0000 17.0000 0.8059 -0.2984 0.5216
1.0000 -2.0000 -17.0000 -0.8059 0.2984 -0.5216
10.0000 -14.0000 3.0000 -0.4784 -0.8532 0.2220
-8.0000 15.0000 -5.0000 0.4709 0.8054 -0.3675

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_unetI/netI     0.0853
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.817
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12167
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.817
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.457
_diffrn_reflns_theta_min         3.472
_diffrn_ambient_temperature      294
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.817
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -36.00  57.00   1.00   59.76    --  -10.56  57.00-180.00   93
  2  ω    -82.00  16.00   1.00   59.76    --  -10.56 -57.00  30.00   98
  3  ω     34.00  99.00   1.00   59.76    --   12.20-178.00  30.00   65
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0122772000
_diffrn_orient_matrix_UB_12      0.0519475000
_diffrn_orient_matrix_UB_13      0.0420165000
_diffrn_orient_matrix_UB_21      -0.0550480000
_diffrn_orient_matrix_UB_22      0.0167481000
_diffrn_orient_matrix_UB_23      -0.0227587000
_diffrn_orient_matrix_UB_31      -0.0264462000
_diffrn_orient_matrix_UB_32      -0.0278038000
_diffrn_orient_matrix_UB_33      0.0323956000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4487
_reflns_number_total             7867
_reflns_odcompleteness_completeness 98.56
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.448
_refine_diff_density_min         -0.430
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         7867
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1268
_refine_ls_R_factor_gt           0.0631
_refine_ls_restrained_S_all      1.042
_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)+(0.0368P)²+0.4842P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1331
_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:
 C4A(H4A), C4B(H4B), C4C(H4C), C4D(H4D), C5A(H5A), C5B(H5B), C5C(H5C),
 C5D(H5D), C6A(H6A), C6B(H6B), C6C(H6C), C6D(H6D)
2.b Idealised Me refined as rotating group:
 C8A(H8AA,H8AB,H8AC), C8B(H8BA,H8BB,H8BC), C8C(H8CA,H8CB,H8CC), C8D(H8DA,H8DB,
 H8DC), C9A(H9AA,H9AB,H9AC), C9B(H9BA,H9BB,H9BC), C9C(H9CA,H9CB,H9CC), C9D(H9DA,
 H9DB,H9DC)
;
_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
B1 B 0.1372(7) 0.7247(6) 0.8097(5) 0.0860(19) Uani 1 1 d . . . . .
F1 F 0.2554(4) 0.7633(4) 0.8472(3) 0.1525(15) Uani 1 1 d . . . . .
F2 F 0.0840(5) 0.7954(4) 0.7570(4) 0.180(2) Uani 1 1 d . . . . .
F3 F 0.1005(4) 0.7303(4) 0.8999(3) 0.1629(17) Uani 1 1 d . . . . .
F4 F 0.1229(5) 0.6206(4) 0.7464(4) 0.1783(19) Uani 1 1 d . . . . .
C1A C 0.5229(4) 0.6095(4) 0.3356(4) 0.0634(12) Uani 1 1 d . . . . .
C1B C 0.4618(4) 0.3995(4) 0.1737(3) 0.0650(12) Uani 1 1 d . . . . .
C1C C 0.6457(4) 0.4740(4) 0.0864(4) 0.0643(12) Uani 1 1 d . . . . .
C1D C 0.7144(4) 0.6559(4) 0.2645(3) 0.0645(12) Uani 1 1 d . . . . .
N1A N 0.4956(3) 0.6607(3) 0.4106(3) 0.0669(10) Uani 1 1 d . . . . .
N1B N 0.3982(4) 0.3169(4) 0.1567(3) 0.0727(11) Uani 1 1 d . . . . .
N1C N 0.6897(4) 0.4488(3) 0.0158(3) 0.0740(11) Uani 1 1 d . . . . .
N1D N 0.7993(4) 0.7195(3) 0.3013(3) 0.0691(10) Uani 1 1 d . . . . .
Rh1 Rh 0.58056(3) 0.53486(3) 0.21208(3) 0.06142(15) Uani 1 1 d . . . . .
C2A C 0.4724(4) 0.7292(4) 0.5047(4) 0.0670(12) Uani 1 1 d . . . . .
C2B C 0.3253(5) 0.2136(4) 0.1310(4) 0.0697(13) Uani 1 1 d . . . . .
C2C C 0.7512(5) 0.4289(6) -0.0657(4) 0.0771(15) Uani 1 1 d . . . . .
C2D C 0.9074(4) 0.7814(4) 0.3577(4) 0.0631(11) Uani 1 1 d . . . . .
C3A C 0.3887(5) 0.6842(5) 0.5488(4) 0.0763(14) Uani 1 1 d . . . . .
C3B C 0.3382(5) 0.1246(5) 0.0458(4) 0.0825(15) Uani 1 1 d . . . . .
C3C C 0.7243(6) 0.3232(6) -0.1437(4) 0.0893(17) Uani 1 1 d . . . . .
C3D C 0.9724(4) 0.7431(4) 0.4428(4) 0.0676(12) Uani 1 1 d . . . . .
C4A C 0.3723(6) 0.7518(8) 0.6425(5) 0.113(2) Uani 1 1 d . . . . .
H4A H 0.3181 0.7244 0.6750 0.135 Uiso 1 1 calc R . . . .
C4B C 0.2636(7) 0.0237(5) 0.0193(5) 0.103(2) Uani 1 1 d . . . . .
H4B H 0.2703 -0.0376 -0.0368 0.124 Uiso 1 1 calc R . . . .
C4C C 0.7878(7) 0.3099(8) -0.2223(5) 0.120(3) Uani 1 1 d . . . . .
H4C H 0.7732 0.2418 -0.2773 0.143 Uiso 1 1 calc R . . . .
C4D C 1.0801(5) 0.8047(6) 0.4981(5) 0.0959(17) Uani 1 1 d . . . . .
H4D H 1.1255 0.7822 0.5565 0.115 Uiso 1 1 calc R . . . .
C5A C 0.4337(9) 0.8588(9) 0.6899(6) 0.147(4) Uani 1 1 d . . . . .
H5A H 0.4193 0.9042 0.7527 0.176 Uiso 1 1 calc R . . . .
C5B C 0.1802(6) 0.0126(5) 0.0741(6) 0.111(2) Uani 1 1 d . . . . .
H5B H 0.1302 -0.0560 0.0544 0.134 Uiso 1 1 calc R . . . .
C5C C 0.8704(8) 0.3940(11) -0.2203(7) 0.139(4) Uani 1 1 d . . . . .
H5C H 0.9113 0.3821 -0.2741 0.167 Uiso 1 1 calc R . . . .
C5D C 1.1211(6) 0.8968(6) 0.4691(5) 0.113(2) Uani 1 1 d . . . . .
H5D H 1.1949 0.9357 0.5070 0.136 Uiso 1 1 calc R . . . .
C6A C 0.5150(8) 0.8988(7) 0.6459(7) 0.137(3) Uani 1 1 d . . . . .
H6A H 0.5578 0.9707 0.6807 0.164 Uiso 1 1 calc R . . . .
C6B C 0.1688(6) 0.1016(6) 0.1584(5) 0.1039(19) Uani 1 1 d . . . . .
H6B H 0.1109 0.0923 0.1945 0.125 Uiso 1 1 calc R . . . .
C6C C 0.8954(6) 0.4960(8) -0.1418(6) 0.118(3) Uani 1 1 d . . . . .
H6C H 0.9535 0.5516 -0.1421 0.141 Uiso 1 1 calc R . . . .
C6D C 1.0570(6) 0.9340(5) 0.3859(5) 0.112(2) Uani 1 1 d . . . . .
H6D H 1.0867 0.9983 0.3680 0.134 Uiso 1 1 calc R . . . .
C7A C 0.5370(5) 0.8361(5) 0.5503(5) 0.0967(17) Uani 1 1 d . . . . .
C7B C 0.2427(5) 0.2047(5) 0.1902(4) 0.0813(15) Uani 1 1 d . . . . .
C7C C 0.8345(5) 0.5171(6) -0.0615(5) 0.0897(17) Uani 1 1 d . . . . .
C7D C 0.9463(5) 0.8763(5) 0.3268(4) 0.0846(16) Uani 1 1 d . . . . .
C8A C 0.3205(5) 0.5686(5) 0.4951(5) 0.109(2) Uani 1 1 d . . . . .
H8AA H 0.2727 0.5696 0.4250 0.164 Uiso 1 1 calc GR . . . .
H8AB H 0.2710 0.5503 0.5393 0.164 Uiso 1 1 calc GR . . . .
H8AC H 0.3736 0.5114 0.4865 0.164 Uiso 1 1 calc GR . . . .
C8B C 0.4282(6) 0.1414(5) -0.0149(5) 0.112(2) Uani 1 1 d . . . . .
H8BA H 0.4100 0.2020 -0.0506 0.167 Uiso 1 1 calc GR . . . .
H8BB H 0.4280 0.0710 -0.0682 0.167 Uiso 1 1 calc GR . . . .
H8BC H 0.5044 0.1619 0.0352 0.167 Uiso 1 1 calc GR . . . .
C8C C 0.6347(7) 0.2340(5) -0.1414(5) 0.117(2) Uani 1 1 d . . . . .
H8CA H 0.6589 0.2090 -0.0758 0.175 Uiso 1 1 calc GR . . . .
H8CB H 0.6254 0.1695 -0.2033 0.175 Uiso 1 1 calc GR . . . .
H8CC H 0.5613 0.2654 -0.1434 0.175 Uiso 1 1 calc GR . . . .
C8D C 0.9268(6) 0.6388(4) 0.4725(4) 0.0984(18) Uani 1 1 d . . . . .
H8DA H 0.8542 0.6516 0.4921 0.148 Uiso 1 1 calc GR . . . .
H8DB H 0.9832 0.6251 0.5329 0.148 Uiso 1 1 calc GR . . . .
H8DC H 0.9138 0.5728 0.4113 0.148 Uiso 1 1 calc GR . . . .
C9A C 0.6283(7) 0.8789(6) 0.5006(7) 0.152(3) Uani 1 1 d . . . . .
H9AA H 0.6924 0.8331 0.5076 0.228 Uiso 1 1 calc GR . . . .
H9AB H 0.6566 0.9582 0.5376 0.228 Uiso 1 1 calc GR . . . .
H9AC H 0.5942 0.8729 0.4250 0.228 Uiso 1 1 calc GR . . . .
C9B C 0.2347(6) 0.3020(5) 0.2833(5) 0.1080(19) Uani 1 1 d . . . . .
H9BA H 0.2991 0.3059 0.3449 0.162 Uiso 1 1 calc GR . . . .
H9BB H 0.1620 0.2890 0.3022 0.162 Uiso 1 1 calc GR . . . .
H9BC H 0.2378 0.3734 0.2623 0.162 Uiso 1 1 calc GR . . . .
C9C C 0.8598(6) 0.6281(6) 0.0247(5) 0.111(2) Uani 1 1 d . . . . .
H9CA H 0.7885 0.6624 0.0259 0.166 Uiso 1 1 calc GR . . . .
H9CB H 0.9153 0.6797 0.0096 0.166 Uiso 1 1 calc GR . . . .
H9CC H 0.8921 0.6134 0.0942 0.166 Uiso 1 1 calc GR . . . .
C9D C 0.8746(7) 0.9160(5) 0.2354(5) 0.140(3) Uani 1 1 d . . . . .
H9DA H 0.8805 0.8677 0.1674 0.210 Uiso 1 1 calc GR . . . .
H9DB H 0.9029 0.9944 0.2410 0.210 Uiso 1 1 calc GR . . . .
H9DC H 0.7940 0.9116 0.2386 0.210 Uiso 1 1 calc GR . . . .


_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
B1 F1 1.378(8) . ?
B1 F2 1.311(7) . ?
B1 F3 1.337(7) . ?
B1 F4 1.303(7) . ?
C1A N1A 1.152(5) . ?
C1A Rh1 1.942(5) . ?
C1B N1B 1.152(5) . ?
C1B Rh1 1.970(5) . ?
C1C N1C 1.151(5) . ?
C1C Rh1 1.976(5) . ?
C1D N1D 1.154(5) . ?
C1D Rh1 1.958(5) . ?
N1A C2A 1.404(6) . ?
N1B C2B 1.392(6) . ?
N1C C2C 1.406(6) . ?
N1D C2D 1.385(6) . ?
C2A C3A 1.393(7) . ?
C2A C7A 1.379(7) . ?
C2B C3B 1.393(7) . ?
C2B C7B 1.392(7) . ?
C2C C3C 1.394(7) . ?
C2C C7C 1.384(8) . ?
C2D C3D 1.385(6) . ?
C2D C7D 1.381(6) . ?
C3A C4A 1.363(8) . ?
C3A C8A 1.489(7) . ?
C3B C4B 1.378(7) . ?
C3B C8B 1.496(8) . ?
C3C C4C 1.392(8) . ?
C3C C8C 1.471(8) . ?
C3D C4D 1.377(7) . ?
C3D C8D 1.501(6) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.368(11) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.361(8) . ?
C4C H4C 0.9300 . ?
C4C C5C 1.353(11) . ?
C4D H4D 0.9300 . ?
C4D C5D 1.348(8) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.345(11) . ?
C5B H5B 0.9300 . ?
C5B C6B 1.381(8) . ?
C5C H5C 0.9300 . ?
C5C C6C 1.366(11) . ?
C5D H5D 0.9300 . ?
C5D C6D 1.354(8) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.388(9) . ?
C6B H6B 0.9300 . ?
C6B C7B 1.389(7) . ?
C6C H6C 0.9300 . ?
C6C C7C 1.388(8) . ?
C6D H6D 0.9300 . ?
C6D C7D 1.398(7) . ?
C7A C9A 1.504(8) . ?
C7B C9B 1.500(7) . ?
C7C C9C 1.492(8) . ?
C7D C9D 1.488(7) . ?
C8A H8AA 0.9600 . ?
C8A H8AB 0.9600 . ?
C8A H8AC 0.9600 . ?
C8B H8BA 0.9600 . ?
C8B H8BB 0.9600 . ?
C8B H8BC 0.9600 . ?
C8C H8CA 0.9600 . ?
C8C H8CB 0.9600 . ?
C8C H8CC 0.9600 . ?
C8D H8DA 0.9600 . ?
C8D H8DB 0.9600 . ?
C8D H8DC 0.9600 . ?
C9A H9AA 0.9600 . ?
C9A H9AB 0.9600 . ?
C9A H9AC 0.9600 . ?
C9B H9BA 0.9600 . ?
C9B H9BB 0.9600 . ?
C9B H9BC 0.9600 . ?
C9C H9CA 0.9600 . ?
C9C H9CB 0.9600 . ?
C9C H9CC 0.9600 . ?
C9D H9DA 0.9600 . ?
C9D H9DB 0.9600 . ?
C9D H9DC 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
F2 B1 F1 109.4(6) . . ?
F2 B1 F3 109.3(7) . . ?
F3 B1 F1 104.4(5) . . ?
F4 B1 F1 109.3(6) . . ?
F4 B1 F2 110.7(6) . . ?
F4 B1 F3 113.5(6) . . ?
N1A C1A Rh1 174.7(4) . . ?
N1B C1B Rh1 174.9(4) . . ?
N1C C1C Rh1 173.5(4) . . ?
N1D C1D Rh1 172.7(4) . . ?
C1A N1A C2A 174.8(5) . . ?
C1B N1B C2B 176.1(5) . . ?
C1C N1C C2C 174.0(6) . . ?
C1D N1D C2D 169.1(5) . . ?
C1A Rh1 C1B 92.08(19) . . ?
C1A Rh1 C1C 174.41(18) . . ?
C1A Rh1 C1D 88.01(18) . . ?
C1B Rh1 C1C 93.07(19) . . ?
C1D Rh1 C1B 170.88(17) . . ?
C1D Rh1 C1C 87.26(18) . . ?
C3A C2A N1A 118.6(5) . . ?
C7A C2A N1A 117.6(5) . . ?
C7A C2A C3A 123.8(5) . . ?
N1B C2B C3B 117.9(5) . . ?
C7B C2B N1B 118.7(5) . . ?
C7B C2B C3B 123.5(5) . . ?
C3C C2C N1C 118.2(6) . . ?
C7C C2C N1C 116.6(5) . . ?
C7C C2C C3C 125.2(5) . . ?
N1D C2D C3D 117.3(4) . . ?
C7D C2D N1D 119.6(4) . . ?
C7D C2D C3D 123.0(5) . . ?
C2A C3A C8A 121.3(5) . . ?
C4A C3A C2A 116.6(6) . . ?
C4A C3A C8A 122.0(6) . . ?
C2B C3B C8B 120.2(5) . . ?
C4B C3B C2B 117.4(6) . . ?
C4B C3B C8B 122.4(6) . . ?
C2C C3C C8C 121.4(5) . . ?
C4C C3C C2C 115.1(7) . . ?
C4C C3C C8C 123.5(7) . . ?
C2D C3D C8D 121.0(5) . . ?
C4D C3D C2D 117.0(5) . . ?
C4D C3D C8D 122.0(5) . . ?
C3A C4A H4A 119.2 . . ?
C3A C4A C5A 121.5(7) . . ?
C5A C4A H4A 119.2 . . ?
C3B C4B H4B 119.6 . . ?
C5B C4B C3B 120.9(6) . . ?
C5B C4B H4B 119.6 . . ?
C3C C4C H4C 119.4 . . ?
C5C C4C C3C 121.3(8) . . ?
C5C C4C H4C 119.4 . . ?
C3D C4D H4D 119.3 . . ?
C5D C4D C3D 121.3(6) . . ?
C5D C4D H4D 119.3 . . ?
C4A C5A H5A 119.9 . . ?
C6A C5A C4A 120.2(8) . . ?
C6A C5A H5A 119.9 . . ?
C4B C5B H5B 119.5 . . ?
C4B C5B C6B 120.9(6) . . ?
C6B C5B H5B 119.5 . . ?
C4C C5C H5C 119.0 . . ?
C4C C5C C6C 122.0(8) . . ?
C6C C5C H5C 119.0 . . ?
C4D C5D H5D 119.3 . . ?
C4D C5D C6D 121.4(6) . . ?
C6D C5D H5D 119.3 . . ?
C5A C6A H6A 118.9 . . ?
C5A C6A C7A 122.1(8) . . ?
C7A C6A H6A 118.9 . . ?
C5B C6B H6B 119.6 . . ?
C5B C6B C7B 120.9(6) . . ?
C7B C6B H6B 119.6 . . ?
C5C C6C H6C 119.8 . . ?
C5C C6C C7C 120.4(8) . . ?
C7C C6C H6C 119.8 . . ?
C5D C6D H6D 119.8 . . ?
C5D C6D C7D 120.4(5) . . ?
C7D C6D H6D 119.8 . . ?
C2A C7A C6A 115.7(7) . . ?
C2A C7A C9A 121.4(6) . . ?
C6A C7A C9A 122.8(7) . . ?
C2B C7B C9B 121.3(5) . . ?
C6B C7B C2B 116.4(5) . . ?
C6B C7B C9B 122.3(6) . . ?
C2C C7C C6C 116.1(7) . . ?
C2C C7C C9C 122.6(5) . . ?
C6C C7C C9C 121.3(7) . . ?
C2D C7D C6D 116.8(5) . . ?
C2D C7D C9D 122.0(5) . . ?
C6D C7D C9D 121.1(5) . . ?
C3A C8A H8AA 109.5 . . ?
C3A C8A H8AB 109.5 . . ?
C3A C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C3B C8B H8BA 109.5 . . ?
C3B C8B H8BB 109.5 . . ?
C3B C8B H8BC 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C3C C8C H8CA 109.5 . . ?
C3C C8C H8CB 109.5 . . ?
C3C C8C H8CC 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
C3D C8D H8DA 109.5 . . ?
C3D C8D H8DB 109.5 . . ?
C3D C8D H8DC 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
C7A C9A H9AA 109.5 . . ?
C7A C9A H9AB 109.5 . . ?
C7A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C7B C9B H9BA 109.5 . . ?
C7B C9B H9BB 109.5 . . ?
C7B C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C7C C9C H9CA 109.5 . . ?
C7C C9C H9CB 109.5 . . ?
C7C C9C H9CC 109.5 . . ?
H9CA C9C H9CB 109.5 . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?
C7D C9D H9DA 109.5 . . ?
C7D C9D H9DB 109.5 . . ?
C7D C9D H9DC 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?

_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 1.505
_oxdiff_exptl_absorpt_empirical_full_min 0.822
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1894641'
loop_
_audit_author_name
_audit_author_address
'Marconi N. Penas-Defrutos'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2019-01-30 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;
_audit_creation_date             2019-01-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H27 N4 Rh'
_chemical_formula_sum            'C28 H27 N4 Rh'
_chemical_formula_weight         522.44
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C28 H27 N4 Rh'
_chemical_oxdiff_usercomment     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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.6127(3)
_cell_length_b                   14.8452(5)
_cell_length_c                   20.5926(7)
_cell_angle_alpha                88.376(3)
_cell_angle_beta                 78.045(3)
_cell_angle_gamma                82.826(3)
_cell_volume                     2555.63(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3793
_cell_measurement_temperature    294
_cell_measurement_theta_max      23.4770
_cell_measurement_theta_min      3.7190
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.690
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1072
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -10 25 0.0518
0 10 -25 0.0518
-12 -2 -3 0.1871
12 2 3 0.1871
0 21 3 0.0205
0 -21 -3 0.0125

_exptl_crystal_size_max          0.387
_exptl_crystal_size_mid          0.126
_exptl_crystal_size_min          0.033
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0000 -10.0000 24.9999 0.0138 -0.1862 0.9869
0.0000 10.0000 -24.9999 -0.0138 0.1862 -0.9869
-12.0000 -2.0000 -3.5000 0.0842 -0.9811 -0.1232
12.0000 2.0000 3.5000 -0.0842 0.9811 0.1232
-0.0000 21.0000 3.0000 -0.9315 -0.0675 -0.4012
0.0000 -21.0000 -3.0000 0.9315 0.0675 0.4012

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_unetI/netI     0.0810
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.809
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            17904
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.809
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.707
_diffrn_reflns_theta_min         3.278
_diffrn_ambient_temperature      294
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.809
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -38.00  61.00   0.75   59.33    --  -10.80  57.00  30.00  132
  2  ω    -78.00  12.00   0.75   59.33    --  -10.80 -57.00-120.00  120
  3  ω     34.00 100.00   0.75   59.33    --   12.36-178.00-120.00   88
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0047339000
_diffrn_orient_matrix_UB_12      -0.0420359000
_diffrn_orient_matrix_UB_13      -0.0162632000
_diffrn_orient_matrix_UB_21      0.0845093000
_diffrn_orient_matrix_UB_22      -0.0020324000
_diffrn_orient_matrix_UB_23      -0.0082626000
_diffrn_orient_matrix_UB_31      0.0053835000
_diffrn_orient_matrix_UB_32      -0.0234065000
_diffrn_orient_matrix_UB_33      0.0301146000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6327
_reflns_number_total             11736
_reflns_odcompleteness_completeness 98.61
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.603
_refine_diff_density_min         -0.511
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         11736
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1270
_refine_ls_R_factor_gt           0.0583
_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)+(0.0231P)²+0.1946P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.1073
_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:
 C4A(H4A), C4B(H4B), C4C(H4C), C5A(H5A), C5B(H5B), C5C(H5C), C6A(H6A),
 C6B(H6B), C6C(H6C), C4A*(H4A*), C4B*(H4B*), C4C*(H4C*), C5A*(H5A*), C5B*(H5B*),
  C5C*(H5C*), C6A*(H6A*), C6B*(H6B*), C6C*(H6C*)
2.b Idealised Me refined as rotating group:
 C8A(H8AD,H8AE,H8AF), C8B(H8BD,H8BE,H8BF), C8C(H8CD,H8CE,H8CF), C9A(H9AD,H9AE,
 H9AF), C9B(H9BD,H9BE,H9BF), C9C(H9CD,H9CE,H9CF), C8A*(H8AA,H8AB,H8AC), C8B*
 (H8BA,H8BB,H8BC), C8C*(H8CA,H8CB,H8CC), C9A*(H9AA,H9AB,H9AC), C9B*(H9BA,H9BB,
 H9BC), C9C*(H9CA,H9CB,H9CC)
;
_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
C1A C 0.8245(5) 0.5698(3) 0.5486(2) 0.0566(12) Uani 1 1 d . . . . .
C1B C 0.7177(5) 0.6147(3) 0.4285(2) 0.0571(12) Uani 1 1 d . . . . .
C1C C 0.7486(5) 0.7938(3) 0.4503(2) 0.0532(12) Uani 1 1 d . . . . .
N1A N 0.8410(4) 0.5094(3) 0.58406(19) 0.0628(11) Uani 1 1 d . . . . .
N1B N 0.6719(4) 0.5794(3) 0.3878(2) 0.0623(11) Uani 1 1 d . . . . .
N1C N 0.7144(4) 0.8647(3) 0.42963(18) 0.0580(10) Uani 1 1 d . . . . .
Rh1 Rh 0.79328(4) 0.67783(2) 0.49377(2) 0.05060(12) Uani 1 1 d . . . . .
C2A C 0.8626(6) 0.4411(4) 0.6305(2) 0.0668(15) Uani 1 1 d . . . . .
C2B C 0.6109(5) 0.5374(4) 0.3399(2) 0.0560(12) Uani 1 1 d . . . . .
C2C C 0.6655(6) 0.9553(3) 0.4163(2) 0.0502(11) Uani 1 1 d . . . . .
C3A C 0.9180(7) 0.4641(5) 0.6852(3) 0.0849(18) Uani 1 1 d . . . . .
C3B C 0.5872(6) 0.4479(4) 0.3497(2) 0.0661(14) Uani 1 1 d . . . . .
C3C C 0.5091(6) 0.9792(4) 0.4108(2) 0.0609(13) Uani 1 1 d . . . . .
C4A C 0.9390(9) 0.3943(7) 0.7302(4) 0.120(3) Uani 1 1 d . . . . .
H4A H 0.9760 0.4060 0.7681 0.144 Uiso 1 1 calc R . . . .
C4B C 0.5242(7) 0.4077(4) 0.3028(3) 0.0862(17) Uani 1 1 d . . . . .
H4B H 0.5077 0.3469 0.3072 0.103 Uiso 1 1 calc R . . . .
C4C C 0.4613(7) 1.0692(4) 0.4028(2) 0.0774(17) Uani 1 1 d . . . . .
H4C H 0.3559 1.0876 0.3996 0.093 Uiso 1 1 calc R . . . .
C5A C 0.9062(9) 0.3091(7) 0.7198(4) 0.131(3) Uani 1 1 d . . . . .
H5A H 0.9233 0.2633 0.7503 0.157 Uiso 1 1 calc R . . . .
C5B C 0.4857(7) 0.4575(5) 0.2497(3) 0.0883(18) Uani 1 1 d . . . . .
H5B H 0.4422 0.4297 0.2189 0.106 Uiso 1 1 calc R . . . .
C5C C 0.5635(9) 1.1330(4) 0.3993(3) 0.0894(19) Uani 1 1 d . . . . .
H5C H 0.5271 1.1939 0.3939 0.107 Uiso 1 1 calc R . . . .
C6A C 0.8488(7) 0.2898(5) 0.6656(4) 0.107(2) Uani 1 1 d . . . . .
H6A H 0.8253 0.2314 0.6599 0.129 Uiso 1 1 calc R . . . .
C6B C 0.5097(6) 0.5461(5) 0.2410(2) 0.0780(16) Uani 1 1 d . . . . .
H6B H 0.4827 0.5779 0.2046 0.094 Uiso 1 1 calc R . . . .
C6C C 0.7198(8) 1.1080(4) 0.4037(2) 0.0840(18) Uani 1 1 d . . . . .
H6C H 0.7889 1.1520 0.4012 0.101 Uiso 1 1 calc R . . . .
C7A C 0.8251(6) 0.3558(4) 0.6189(3) 0.0733(15) Uani 1 1 d . . . . .
C7B C 0.5747(6) 0.5897(4) 0.2866(2) 0.0625(13) Uani 1 1 d . . . . .
C7C C 0.7755(6) 1.0171(3) 0.4118(2) 0.0605(13) Uani 1 1 d . . . . .
C8A C 0.9531(7) 0.5573(5) 0.6966(3) 0.114(2) Uani 1 1 d . . . . .
H8AD H 1.0214 0.5780 0.6576 0.170 Uiso 1 1 calc GR . . . .
H8AE H 1.0056 0.5565 0.7335 0.170 Uiso 1 1 calc GR . . . .
H8AF H 0.8549 0.5975 0.7062 0.170 Uiso 1 1 calc GR . . . .
C8B C 0.6269(7) 0.3932(4) 0.4083(3) 0.0927(18) Uani 1 1 d . . . . .
H8BD H 0.7283 0.3568 0.3950 0.139 Uiso 1 1 calc GR . . . .
H8BE H 0.5455 0.3545 0.4239 0.139 Uiso 1 1 calc GR . . . .
H8BF H 0.6321 0.4335 0.4432 0.139 Uiso 1 1 calc GR . . . .
C8C C 0.3969(6) 0.9092(4) 0.4138(3) 0.0902(18) Uani 1 1 d . . . . .
H8CD H 0.4374 0.8665 0.3784 0.135 Uiso 1 1 calc GR . . . .
H8CE H 0.2937 0.9383 0.4094 0.135 Uiso 1 1 calc GR . . . .
H8CF H 0.3877 0.8780 0.4557 0.135 Uiso 1 1 calc GR . . . .
C9A C 0.7625(6) 0.3356(4) 0.5592(3) 0.0898(18) Uani 1 1 d . . . . .
H9AD H 0.7486 0.2725 0.5591 0.135 Uiso 1 1 calc GR . . . .
H9AE H 0.8370 0.3496 0.5198 0.135 Uiso 1 1 calc GR . . . .
H9AF H 0.6615 0.3718 0.5603 0.135 Uiso 1 1 calc GR . . . .
C9B C 0.6030(7) 0.6866(4) 0.2787(3) 0.0871(17) Uani 1 1 d . . . . .
H9BD H 0.5437 0.7202 0.3169 0.131 Uiso 1 1 calc GR . . . .
H9BE H 0.5685 0.7112 0.2397 0.131 Uiso 1 1 calc GR . . . .
H9BF H 0.7149 0.6910 0.2744 0.131 Uiso 1 1 calc GR . . . .
C9C C 0.9467(6) 0.9859(4) 0.4151(3) 0.0946(19) Uani 1 1 d . . . . .
H9CD H 0.9502 0.9517 0.4551 0.142 Uiso 1 1 calc GR . . . .
H9CE H 1.0032 1.0377 0.4148 0.142 Uiso 1 1 calc GR . . . .
H9CF H 0.9959 0.9483 0.3774 0.142 Uiso 1 1 calc GR . . . .
C11 C 0.8780(6) 0.7491(4) 0.5619(3) 0.0568(14) Uani 1 1 d . . . . .
N11 N 0.9200(6) 0.7821(4) 0.5934(3) 0.0920(16) Uani 1 1 d . . . . .
C1A* C 0.5947(5) 0.9280(3) 1.0670(2) 0.0531(12) Uani 1 1 d . . . . .
C1B* C 0.8280(6) 0.9001(3) 0.9467(2) 0.0572(13) Uani 1 1 d . . . . .
C1C* C 0.7989(5) 0.7172(3) 0.9608(2) 0.0518(11) Uani 1 1 d . . . . .
N1A* N 0.5342(4) 0.9837(3) 1.10512(18) 0.0564(10) Uani 1 1 d . . . . .
N1B* N 0.9096(5) 0.9410(3) 0.9083(2) 0.0637(11) Uani 1 1 d . . . . .
N1C* N 0.8656(4) 0.6500(3) 0.93717(17) 0.0547(10) Uani 1 1 d . . . . .
Rh1* Rh 0.69448(4) 0.82694(2) 1.00829(2) 0.05052(12) Uani 1 1 d . . . . .
C2A* C 0.4602(6) 1.0490(3) 1.1537(2) 0.0565(13) Uani 1 1 d . . . . .
C2B* C 1.0130(5) 0.9878(4) 0.8617(2) 0.0542(12) Uani 1 1 d . . . . .
C2C* C 0.9354(5) 0.5615(3) 0.92105(19) 0.0493(11) Uani 1 1 d . . . . .
C3A* C 0.3545(6) 1.0210(4) 1.2087(3) 0.0671(15) Uani 1 1 d . . . . .
C3B* C 1.0148(6) 1.0793(4) 0.8715(3) 0.0642(13) Uani 1 1 d . . . . .
C3C* C 1.1008(6) 0.5416(3) 0.9118(2) 0.0555(12) Uani 1 1 d . . . . .
C4A* C 0.2838(7) 1.0884(5) 1.2544(3) 0.0872(19) Uani 1 1 d . . . . .
H4A* H 0.2104 1.0738 1.2919 0.105 Uiso 1 1 calc R . . . .
C4B* C 1.1192(7) 1.1230(4) 0.8251(3) 0.0759(15) Uani 1 1 d . . . . .
H4B* H 1.1241 1.1846 0.8299 0.091 Uiso 1 1 calc R . . . .
C4C* C 1.1627(6) 0.4519(4) 0.9019(2) 0.0696(15) Uani 1 1 d . . . . .
H4C* H 1.2725 0.4355 0.8965 0.083 Uiso 1 1 calc R . . . .
C5A* C 0.3192(9) 1.1757(5) 1.2457(3) 0.102(2) Uani 1 1 d . . . . .
H5A* H 0.2700 1.2193 1.2774 0.123 Uiso 1 1 calc R . . . .
C5B* C 1.2153(7) 1.0775(5) 0.7723(3) 0.0847(17) Uani 1 1 d . . . . .
H5B* H 1.2849 1.1086 0.7417 0.102 Uiso 1 1 calc R . . . .
C5C* C 1.0659(8) 0.3867(4) 0.8999(2) 0.0786(17) Uani 1 1 d . . . . .
H5C* H 1.1108 0.3265 0.8934 0.094 Uiso 1 1 calc R . . . .
C6A* C 0.4256(8) 1.1998(4) 1.1913(3) 0.0879(19) Uani 1 1 d . . . . .
H6A* H 0.4487 1.2594 1.1863 0.105 Uiso 1 1 calc R . . . .
C6B* C 1.2116(7) 0.9871(5) 0.7634(2) 0.0782(17) Uani 1 1 d . . . . .
H6B* H 1.2792 0.9575 0.7271 0.094 Uiso 1 1 calc R . . . .
C6C* C 0.9051(7) 0.4074(4) 0.9071(2) 0.0727(15) Uani 1 1 d . . . . .
H6C* H 0.8419 0.3616 0.9051 0.087 Uiso 1 1 calc R . . . .
C7A* C 0.4993(6) 1.1362(4) 1.1435(2) 0.0624(14) Uani 1 1 d . . . . .
C7B* C 1.1092(6) 0.9389(4) 0.8074(3) 0.0662(14) Uani 1 1 d . . . . .
C7C* C 0.8347(6) 0.4964(4) 0.9176(2) 0.0614(13) Uani 1 1 d . . . . .
C8A* C 0.3203(7) 0.9249(4) 1.2175(3) 0.0915(18) Uani 1 1 d . . . . .
H8AA H 0.4094 0.8883 1.2301 0.137 Uiso 1 1 calc GR . . . .
H8AB H 0.3031 0.9028 1.1765 0.137 Uiso 1 1 calc GR . . . .
H8AC H 0.2262 0.9217 1.2515 0.137 Uiso 1 1 calc GR . . . .
C8B* C 0.9082(6) 1.1282(4) 0.9300(2) 0.0860(17) Uani 1 1 d . . . . .
H8BA H 0.8037 1.1447 0.9206 0.129 Uiso 1 1 calc GR . . . .
H8BB H 0.9520 1.1820 0.9385 0.129 Uiso 1 1 calc GR . . . .
H8BC H 0.9006 1.0893 0.9683 0.129 Uiso 1 1 calc GR . . . .
C8C* C 1.2043(6) 0.6150(4) 0.9134(3) 0.0842(17) Uani 1 1 d . . . . .
H8CA H 1.2166 0.6475 0.8720 0.126 Uiso 1 1 calc GR . . . .
H8CB H 1.3073 0.5885 0.9201 0.126 Uiso 1 1 calc GR . . . .
H8CC H 1.1553 0.6561 0.9491 0.126 Uiso 1 1 calc GR . . . .
C9A* C 0.6159(6) 1.1616(4) 1.0833(3) 0.0821(17) Uani 1 1 d . . . . .
H9AA H 0.6164 1.2263 1.0821 0.123 Uiso 1 1 calc GR . . . .
H9AB H 0.5852 1.1424 1.0442 0.123 Uiso 1 1 calc GR . . . .
H9AC H 0.7209 1.1325 1.0851 0.123 Uiso 1 1 calc GR . . . .
C9B* C 1.1019(7) 0.8397(4) 0.7983(3) 0.0954(19) Uani 1 1 d . . . . .
H9BA H 1.1539 0.8050 0.8295 0.143 Uiso 1 1 calc GR . . . .
H9BB H 1.1548 0.8221 0.7539 0.143 Uiso 1 1 calc GR . . . .
H9BC H 0.9922 0.8285 0.8056 0.143 Uiso 1 1 calc GR . . . .
C9C* C 0.6570(6) 0.5226(4) 0.9265(3) 0.0940(19) Uani 1 1 d . . . . .
H9CA H 0.6157 0.5483 0.9698 0.141 Uiso 1 1 calc GR . . . .
H9CB H 0.6064 0.4697 0.9219 0.141 Uiso 1 1 calc GR . . . .
H9CC H 0.6357 0.5665 0.8933 0.141 Uiso 1 1 calc GR . . . .
C11* C 0.5483(6) 0.7463(3) 1.0705(3) 0.0536(14) Uani 1 1 d . . . . .
N11* N 0.4772(6) 0.7068(4) 1.0985(3) 0.0889(16) Uani 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
C1A N1A 1.154(5) . ?
C1A Rh1 1.958(5) . ?
C1B N1B 1.162(5) . ?
C1B Rh1 1.921(5) . ?
C1C N1C 1.150(5) . ?
C1C Rh1 1.950(5) . ?
N1A C2A 1.396(6) . ?
N1B C2B 1.402(5) . ?
N1C C2C 1.397(5) . ?
Rh1 C11 2.079(5) . ?
C2A C3A 1.378(7) . ?
C2A C7A 1.384(7) . ?
C2B C3B 1.372(6) . ?
C2B C7B 1.393(6) . ?
C2C C3C 1.376(6) . ?
C2C C7C 1.386(6) . ?
C3A C4A 1.391(8) . ?
C3A C8A 1.488(8) . ?
C3B C4B 1.384(6) . ?
C3B C8B 1.508(6) . ?
C3C C4C 1.365(7) . ?
C3C C8C 1.496(7) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.362(10) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.378(7) . ?
C4C H4C 0.9300 . ?
C4C C5C 1.362(8) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.363(9) . ?
C5B H5B 0.9300 . ?
C5B C6B 1.357(7) . ?
C5C H5C 0.9300 . ?
C5C C6C 1.372(7) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.379(7) . ?
C6B H6B 0.9300 . ?
C6B C7B 1.398(6) . ?
C6C H6C 0.9300 . ?
C6C C7C 1.392(6) . ?
C7A C9A 1.491(7) . ?
C7B C9B 1.488(7) . ?
C7C C9C 1.504(6) . ?
C8A H8AD 0.9600 . ?
C8A H8AE 0.9600 . ?
C8A H8AF 0.9600 . ?
C8B H8BD 0.9600 . ?
C8B H8BE 0.9600 . ?
C8B H8BF 0.9600 . ?
C8C H8CD 0.9600 . ?
C8C H8CE 0.9600 . ?
C8C H8CF 0.9600 . ?
C9A H9AD 0.9600 . ?
C9A H9AE 0.9600 . ?
C9A H9AF 0.9600 . ?
C9B H9BD 0.9600 . ?
C9B H9BE 0.9600 . ?
C9B H9BF 0.9600 . ?
C9C H9CD 0.9600 . ?
C9C H9CE 0.9600 . ?
C9C H9CF 0.9600 . ?
C11 N11 0.976(5) . ?
C1A* N1A* 1.153(5) . ?
C1A* Rh1* 1.950(5) . ?
C1B* N1B* 1.156(6) . ?
C1B* Rh1* 1.935(6) . ?
C1C* N1C* 1.154(5) . ?
C1C* Rh1* 1.944(5) . ?
N1A* C2A* 1.409(5) . ?
N1B* C2B* 1.400(6) . ?
N1C* C2C* 1.395(5) . ?
Rh1* C11* 2.069(6) . ?
C2A* C3A* 1.388(7) . ?
C2A* C7A* 1.376(7) . ?
C2B* C3B* 1.381(6) . ?
C2B* C7B* 1.405(6) . ?
C2C* C3C* 1.392(6) . ?
C2C* C7C* 1.389(6) . ?
C3A* C4A* 1.386(7) . ?
C3A* C8A* 1.491(7) . ?
C3B* C4B* 1.377(7) . ?
C3B* C8B* 1.498(7) . ?
C3C* C4C* 1.376(6) . ?
C3C* C8C* 1.497(7) . ?
C4A* H4A* 0.9300 . ?
C4A* C5A* 1.367(8) . ?
C4B* H4B* 0.9300 . ?
C4B* C5B* 1.362(7) . ?
C4C* H4C* 0.9300 . ?
C4C* C5C* 1.361(7) . ?
C5A* H5A* 0.9300 . ?
C5A* C6A* 1.362(8) . ?
C5B* H5B* 0.9300 . ?
C5B* C6B* 1.364(7) . ?
C5C* H5C* 0.9300 . ?
C5C* C6C* 1.358(7) . ?
C6A* H6A* 0.9300 . ?
C6A* C7A* 1.382(6) . ?
C6B* H6B* 0.9300 . ?
C6B* C7B* 1.378(7) . ?
C6C* H6C* 0.9300 . ?
C6C* C7C* 1.385(6) . ?
C7A* C9A* 1.496(7) . ?
C7B* C9B* 1.501(7) . ?
C7C* C9C* 1.506(6) . ?
C8A* H8AA 0.9600 . ?
C8A* H8AB 0.9600 . ?
C8A* H8AC 0.9600 . ?
C8B* H8BA 0.9600 . ?
C8B* H8BB 0.9600 . ?
C8B* H8BC 0.9600 . ?
C8C* H8CA 0.9600 . ?
C8C* H8CB 0.9600 . ?
C8C* H8CC 0.9600 . ?
C9A* H9AA 0.9600 . ?
C9A* H9AB 0.9600 . ?
C9A* H9AC 0.9600 . ?
C9B* H9BA 0.9600 . ?
C9B* H9BB 0.9600 . ?
C9B* H9BC 0.9600 . ?
C9C* H9CA 0.9600 . ?
C9C* H9CB 0.9600 . ?
C9C* H9CC 0.9600 . ?
C11* N11* 0.988(6) . ?

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
N1A C1A Rh1 176.0(4) . . ?
N1B C1B Rh1 177.5(4) . . ?
N1C C1C Rh1 174.4(4) . . ?
C1A N1A C2A 175.7(5) . . ?
C1B N1B C2B 177.9(5) . . ?
C1C N1C C2C 169.8(4) . . ?
C1A Rh1 C11 87.3(2) . . ?
C1B Rh1 C1A 94.34(19) . . ?
C1B Rh1 C1C 91.08(18) . . ?
C1B Rh1 C11 178.1(2) . . ?
C1C Rh1 C1A 172.29(18) . . ?
C1C Rh1 C11 87.34(19) . . ?
C3A C2A N1A 117.2(6) . . ?
C3A C2A C7A 124.8(5) . . ?
C7A C2A N1A 118.0(5) . . ?
C3B C2B N1B 117.7(4) . . ?
C3B C2B C7B 124.4(4) . . ?
C7B C2B N1B 118.0(5) . . ?
C3C C2C N1C 118.2(5) . . ?
C3C C2C C7C 123.5(5) . . ?
C7C C2C N1C 118.2(4) . . ?
C2A C3A C4A 115.7(7) . . ?
C2A C3A C8A 123.1(6) . . ?
C4A C3A C8A 121.2(7) . . ?
C2B C3B C4B 117.1(5) . . ?
C2B C3B C8B 123.1(4) . . ?
C4B C3B C8B 119.8(5) . . ?
C2C C3C C8C 121.3(5) . . ?
C4C C3C C2C 117.0(5) . . ?
C4C C3C C8C 121.7(5) . . ?
C3A C4A H4A 119.4 . . ?
C5A C4A C3A 121.2(8) . . ?
C5A C4A H4A 119.4 . . ?
C3B C4B H4B 119.9 . . ?
C5B C4B C3B 120.2(6) . . ?
C5B C4B H4B 119.9 . . ?
C3C C4C H4C 119.0 . . ?
C5C C4C C3C 121.9(5) . . ?
C5C C4C H4C 119.0 . . ?
C4A C5A H5A 119.5 . . ?
C4A C5A C6A 121.0(7) . . ?
C6A C5A H5A 119.5 . . ?
C4B C5B H5B 119.1 . . ?
C6B C5B C4B 121.7(5) . . ?
C6B C5B H5B 119.1 . . ?
C4C C5C H5C 119.8 . . ?
C4C C5C C6C 120.4(6) . . ?
C6C C5C H5C 119.8 . . ?
C5A C6A H6A 119.5 . . ?
C5A C6A C7A 120.9(7) . . ?
C7A C6A H6A 119.5 . . ?
C5B C6B H6B 119.8 . . ?
C5B C6B C7B 120.4(5) . . ?
C7B C6B H6B 119.8 . . ?
C5C C6C H6C 119.9 . . ?
C5C C6C C7C 120.3(6) . . ?
C7C C6C H6C 119.9 . . ?
C2A C7A C9A 122.1(5) . . ?
C6A C7A C2A 116.4(6) . . ?
C6A C7A C9A 121.5(6) . . ?
C2B C7B C6B 116.2(5) . . ?
C2B C7B C9B 121.9(5) . . ?
C6B C7B C9B 121.9(5) . . ?
C2C C7C C6C 116.9(5) . . ?
C2C C7C C9C 120.8(5) . . ?
C6C C7C C9C 122.4(5) . . ?
C3A C8A H8AD 109.5 . . ?
C3A C8A H8AE 109.5 . . ?
C3A C8A H8AF 109.5 . . ?
H8AD C8A H8AE 109.5 . . ?
H8AD C8A H8AF 109.5 . . ?
H8AE C8A H8AF 109.5 . . ?
C3B C8B H8BD 109.5 . . ?
C3B C8B H8BE 109.5 . . ?
C3B C8B H8BF 109.5 . . ?
H8BD C8B H8BE 109.5 . . ?
H8BD C8B H8BF 109.5 . . ?
H8BE C8B H8BF 109.5 . . ?
C3C C8C H8CD 109.5 . . ?
C3C C8C H8CE 109.5 . . ?
C3C C8C H8CF 109.5 . . ?
H8CD C8C H8CE 109.5 . . ?
H8CD C8C H8CF 109.5 . . ?
H8CE C8C H8CF 109.5 . . ?
C7A C9A H9AD 109.5 . . ?
C7A C9A H9AE 109.5 . . ?
C7A C9A H9AF 109.5 . . ?
H9AD C9A H9AE 109.5 . . ?
H9AD C9A H9AF 109.5 . . ?
H9AE C9A H9AF 109.5 . . ?
C7B C9B H9BD 109.5 . . ?
C7B C9B H9BE 109.5 . . ?
C7B C9B H9BF 109.5 . . ?
H9BD C9B H9BE 109.5 . . ?
H9BD C9B H9BF 109.5 . . ?
H9BE C9B H9BF 109.5 . . ?
C7C C9C H9CD 109.5 . . ?
C7C C9C H9CE 109.5 . . ?
C7C C9C H9CF 109.5 . . ?
H9CD C9C H9CE 109.5 . . ?
H9CD C9C H9CF 109.5 . . ?
H9CE C9C H9CF 109.5 . . ?
N11 C11 Rh1 178.8(6) . . ?
N1A* C1A* Rh1* 175.4(4) . . ?
N1B* C1B* Rh1* 177.4(5) . . ?
N1C* C1C* Rh1* 174.4(4) . . ?
C1A* N1A* C2A* 177.8(5) . . ?
C1B* N1B* C2B* 177.9(5) . . ?
C1C* N1C* C2C* 168.6(5) . . ?
C1A* Rh1* C11* 87.2(2) . . ?
C1B* Rh1* C1A* 94.48(19) . . ?
C1B* Rh1* C1C* 90.71(19) . . ?
C1B* Rh1* C11* 177.4(2) . . ?
C1C* Rh1* C1A* 172.13(17) . . ?
C1C* Rh1* C11* 87.83(19) . . ?
C3A* C2A* N1A* 117.8(5) . . ?
C7A* C2A* N1A* 117.5(5) . . ?
C7A* C2A* C3A* 124.6(5) . . ?
N1B* C2B* C7B* 118.0(5) . . ?
C3B* C2B* N1B* 118.3(5) . . ?
C3B* C2B* C7B* 123.7(5) . . ?
C3C* C2C* N1C* 118.9(4) . . ?
C7C* C2C* N1C* 117.9(4) . . ?
C7C* C2C* C3C* 123.1(4) . . ?
C2A* C3A* C8A* 121.9(5) . . ?
C4A* C3A* C2A* 115.3(6) . . ?
C4A* C3A* C8A* 122.8(6) . . ?
C2B* C3B* C8B* 121.4(5) . . ?
C4B* C3B* C2B* 116.7(5) . . ?
C4B* C3B* C8B* 121.8(5) . . ?
C2C* C3C* C8C* 120.9(4) . . ?
C4C* C3C* C2C* 116.8(5) . . ?
C4C* C3C* C8C* 122.3(5) . . ?
C3A* C4A* H4A* 119.2 . . ?
C5A* C4A* C3A* 121.6(6) . . ?
C5A* C4A* H4A* 119.2 . . ?
C3B* C4B* H4B* 119.5 . . ?
C5B* C4B* C3B* 121.1(6) . . ?
C5B* C4B* H4B* 119.5 . . ?
C3C* C4C* H4C* 119.5 . . ?
C5C* C4C* C3C* 121.0(5) . . ?
C5C* C4C* H4C* 119.5 . . ?
C4A* C5A* H5A* 119.5 . . ?
C6A* C5A* C4A* 121.0(6) . . ?
C6A* C5A* H5A* 119.5 . . ?
C4B* C5B* H5B* 119.4 . . ?
C4B* C5B* C6B* 121.3(6) . . ?
C6B* C5B* H5B* 119.4 . . ?
C4C* C5C* H5C* 119.2 . . ?
C6C* C5C* C4C* 121.6(5) . . ?
C6C* C5C* H5C* 119.2 . . ?
C5A* C6A* H6A* 119.8 . . ?
C5A* C6A* C7A* 120.4(6) . . ?
C7A* C6A* H6A* 119.8 . . ?
C5B* C6B* H6B* 119.5 . . ?
C5B* C6B* C7B* 121.0(5) . . ?
C7B* C6B* H6B* 119.5 . . ?
C5C* C6C* H6C* 119.8 . . ?
C5C* C6C* C7C* 120.4(5) . . ?
C7C* C6C* H6C* 119.8 . . ?
C2A* C7A* C6A* 117.0(5) . . ?
C2A* C7A* C9A* 121.9(5) . . ?
C6A* C7A* C9A* 121.1(6) . . ?
C2B* C7B* C9B* 121.9(6) . . ?
C6B* C7B* C2B* 116.2(5) . . ?
C6B* C7B* C9B* 122.0(5) . . ?
C2C* C7C* C9C* 120.6(5) . . ?
C6C* C7C* C2C* 117.0(5) . . ?
C6C* C7C* C9C* 122.4(5) . . ?
C3A* C8A* H8AA 109.5 . . ?
C3A* C8A* H8AB 109.5 . . ?
C3A* C8A* H8AC 109.5 . . ?
H8AA C8A* H8AB 109.5 . . ?
H8AA C8A* H8AC 109.5 . . ?
H8AB C8A* H8AC 109.5 . . ?
C3B* C8B* H8BA 109.5 . . ?
C3B* C8B* H8BB 109.5 . . ?
C3B* C8B* H8BC 109.5 . . ?
H8BA C8B* H8BB 109.5 . . ?
H8BA C8B* H8BC 109.5 . . ?
H8BB C8B* H8BC 109.5 . . ?
C3C* C8C* H8CA 109.5 . . ?
C3C* C8C* H8CB 109.5 . . ?
C3C* C8C* H8CC 109.5 . . ?
H8CA C8C* H8CB 109.5 . . ?
H8CA C8C* H8CC 109.5 . . ?
H8CB C8C* H8CC 109.5 . . ?
C7A* C9A* H9AA 109.5 . . ?
C7A* C9A* H9AB 109.5 . . ?
C7A* C9A* H9AC 109.5 . . ?
H9AA C9A* H9AB 109.5 . . ?
H9AA C9A* H9AC 109.5 . . ?
H9AB C9A* H9AC 109.5 . . ?
C7B* C9B* H9BA 109.5 . . ?
C7B* C9B* H9BB 109.5 . . ?
C7B* C9B* H9BC 109.5 . . ?
H9BA C9B* H9BB 109.5 . . ?
H9BA C9B* H9BC 109.5 . . ?
H9BB C9B* H9BC 109.5 . . ?
C7C* C9C* H9CA 109.5 . . ?
C7C* C9C* H9CB 109.5 . . ?
C7C* C9C* H9CC 109.5 . . ?
H9CA C9C* H9CB 109.5 . . ?
H9CA C9C* H9CC 109.5 . . ?
H9CB C9C* H9CC 109.5 . . ?
N11* C11* Rh1* 177.5(7) . . ?

_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 1.144
_oxdiff_exptl_absorpt_empirical_full_min 0.715
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1894642'
loop_
_audit_author_name
_audit_author_address
'Marconi N. Penas-Defrutos'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2019-01-30 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;
_audit_creation_date             2019-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H36 Au0.5 N5 Rh, Au C N2, 2(C H Cl3)'
_chemical_formula_sum            'C40 H38 Au1.50 Cl6 N7 Rh'
_chemical_formula_weight         1227.83
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C38 H36 Au N6 Rh'
_chemical_oxdiff_usercomment     black
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'
Au Au -2.0133 8.8022 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7506(7)
_cell_length_b                   13.6103(6)
_cell_length_c                   15.5642(9)
_cell_angle_alpha                99.423(4)
_cell_angle_beta                 110.298(5)
_cell_angle_gamma                94.397(4)
_cell_volume                     2279.0(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2119
_cell_measurement_temperature    179.8(4)
_cell_measurement_theta_max      20.1960
_cell_measurement_theta_min      3.5610
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.566
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1185
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 -5 21 0.0244
0 6 -20 0.0239
15 -7 -12 0.0856
-13 4 17 0.0489
-1 -18 9 0.0181
0 19 -9 0.0232
-2 -9 -15 0.0265
0 9 16 0.0315

_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.047
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.0000 -5.0000 21.0000 -0.9214 -0.1600 -0.3596
-0.0000 6.0000 -20.0000 0.9186 0.1903 0.2800
15.0000 -7.0000 -12.0000 -0.0810 -0.0326 0.9996
-13.0000 4.0000 17.0000 -0.2330 -0.0389 -0.9573
-1.0000 -18.0000 9.0000 -0.3973 -0.8847 0.0928
-0.0000 19.0000 -9.0000 0.4400 0.9093 -0.1533
-2.0000 -9.0000 -15.0000 0.7489 -0.5914 0.3547
-0.0000 9.0000 16.0000 -0.7123 0.5452 -0.4605

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0700
_diffrn_reflns_av_unetI/netI     0.1945
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.810
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16501
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.810
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.621
_diffrn_reflns_theta_min         3.478
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      179.8(4)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.810
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -83.00  15.00   1.00   33.13    --  -10.64 -57.00 -30.00   98
  2  ω    -38.00  60.00   1.00   33.13    --  -10.64  57.00 120.00   98
  3  ω    -20.00  53.00   1.00   33.13    --   12.20 -99.00-120.00   73
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0409917000
_diffrn_orient_matrix_UB_12      0.0016319000
_diffrn_orient_matrix_UB_13      -0.0454393000
_diffrn_orient_matrix_UB_21      0.0259269000
_diffrn_orient_matrix_UB_22      0.0505356000
_diffrn_orient_matrix_UB_23      0.0056475000
_diffrn_orient_matrix_UB_31      0.0433325000
_diffrn_orient_matrix_UB_32      -0.0171340000
_diffrn_orient_matrix_UB_33      -0.0191409000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4719
_reflns_number_total             10402
_reflns_odcompleteness_completeness 98.78
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.729
_refine_diff_density_min         -1.270
_refine_diff_density_rms         0.187
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     510
_refine_ls_number_reflns         10402
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2089
_refine_ls_R_factor_gt           0.0912
_refine_ls_restrained_S_all      1.038
_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)+(0.0395P)²+3.5108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1339
_refine_ls_wR_factor_ref         0.1785
_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 Ternary CH refined with riding coordinates:
 C50(H50), C60(H60)
2.b Aromatic/amide H refined with riding coordinates:
 C4A(H4A), C4B(H4B), C4C(H4C), C4D(H4D), C5A(H5A), C5B(H5B), C5C(H5C),
 C5D(H5D), C6A(H6A), C6B(H6B), C6C(H6C), C6D(H6D)
2.c Idealised Me refined as rotating group:
 C8A(H8AA,H8AB,H8AC), C8B(H8BA,H8BB,H8BC), C8C(H8CA,H8CB,H8CC), C8D(H8DA,H8DB,
 H8DC), C9A(H9AA,H9AB,H9AC), C9B(H9BA,H9BB,H9BC), C9C(H9CA,H9CB,H9CC), C9D(H9DA,
 H9DB,H9DC)
;
_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
Au1 Au 0.5000 0.5000 0.5000 0.0388(2) Uani 1 2 d S T P . .
C1A C 0.3053(12) 0.6117(10) 0.2912(12) 0.044(4) Uani 1 1 d . . . . .
C1B C 0.2283(13) 0.6568(8) 0.4438(9) 0.038(3) Uani 1 1 d . . . . .
C1C C 0.4474(12) 0.7737(9) 0.5467(11) 0.040(3) Uani 1 1 d . . . . .
C1D C 0.5363(14) 0.7277(9) 0.4006(9) 0.043(4) Uani 1 1 d . . . . .
N1A N 0.2612(10) 0.5687(9) 0.2156(9) 0.049(3) Uani 1 1 d . . . . .
N1B N 0.1430(9) 0.6437(6) 0.4620(7) 0.026(2) Uani 1 1 d . . . . .
N1C N 0.4711(9) 0.8297(8) 0.6193(9) 0.038(3) Uani 1 1 d . . . . .
N1D N 0.6252(11) 0.7510(8) 0.3880(8) 0.042(3) Uani 1 1 d . . . . .
Rh1 Rh 0.38339(9) 0.68793(7) 0.42187(8) 0.0391(3) Uani 1 1 d . . . . .
C2A C 0.2063(13) 0.5109(10) 0.1237(11) 0.048(4) Uani 1 1 d . . . . .
C2B C 0.0338(13) 0.6256(9) 0.4750(11) 0.040(4) Uani 1 1 d . . . . .
C2C C 0.4917(13) 0.8976(10) 0.6999(11) 0.043(4) Uani 1 1 d . . . . .
C2D C 0.7266(14) 0.7846(10) 0.3760(13) 0.049(4) Uani 1 1 d . . . . .
C3A C 0.2006(14) 0.5582(11) 0.0508(12) 0.056(4) Uani 1 1 d . . . . .
C3B C -0.0713(13) 0.5860(10) 0.3986(13) 0.047(4) Uani 1 1 d . . . . .
C3C C 0.3910(16) 0.9528(10) 0.6959(12) 0.057(4) Uani 1 1 d . . . . .
C3D C 0.8259(15) 0.8395(12) 0.4571(17) 0.069(6) Uani 1 1 d . . . . .
C4A C 0.1441(14) 0.4996(13) -0.0386(12) 0.067(5) Uani 1 1 d . . . . .
H4A H 0.1406 0.5271 -0.0902 0.081 Uiso 1 1 calc R . . . .
C4B C -0.1779(14) 0.5718(10) 0.4205(15) 0.065(5) Uani 1 1 d . . . . .
H4B H -0.2524 0.5466 0.3719 0.078 Uiso 1 1 calc R . . . .
C4C C 0.409(2) 1.0247(14) 0.7757(17) 0.088(6) Uani 1 1 d . . . . .
H4C H 0.3456 1.0602 0.7788 0.105 Uiso 1 1 calc R . . . .
C4D C 0.9301(18) 0.8658(14) 0.440(3) 0.136(14) Uani 1 1 d . . . . .
H4D H 0.9975 0.9014 0.4902 0.164 Uiso 1 1 calc R . . . .
C5A C 0.0935(16) 0.4018(15) -0.0515(14) 0.079(6) Uani 1 1 d . . . . .
H5A H 0.0560 0.3628 -0.1115 0.095 Uiso 1 1 calc R . . . .
C5B C -0.1762(16) 0.5934(11) 0.5086(14) 0.057(5) Uani 1 1 d . . . . .
H5B H -0.2484 0.5810 0.5195 0.068 Uiso 1 1 calc R . . . .
C5C C 0.517(2) 1.0438(13) 0.8484(16) 0.090(7) Uani 1 1 d . . . . .
H5C H 0.5275 1.0950 0.8992 0.108 Uiso 1 1 calc R . . . .
C5D C 0.944(2) 0.846(2) 0.359(3) 0.147(18) Uani 1 1 d . . . . .
H5D H 1.0178 0.8660 0.3533 0.176 Uiso 1 1 calc R . . . .
C6A C 0.0986(14) 0.3632(12) 0.0225(14) 0.062(5) Uani 1 1 d . . . . .
H6A H 0.0627 0.2969 0.0121 0.074 Uiso 1 1 calc R . . . .
C6B C -0.0700(18) 0.6332(11) 0.5819(14) 0.068(5) Uani 1 1 d . . . . .
H6B H -0.0714 0.6504 0.6418 0.082 Uiso 1 1 calc R . . . .
C6C C 0.6111(19) 0.9900(15) 0.8500(14) 0.091(6) Uani 1 1 d . . . . .
H6C H 0.6832 1.0015 0.9022 0.109 Uiso 1 1 calc R . . . .
C6D C 0.844(2) 0.7931(16) 0.281(2) 0.114(11) Uani 1 1 d . . . . .
H6D H 0.8518 0.7791 0.2232 0.137 Uiso 1 1 calc R . . . .
C7A C 0.1535(13) 0.4150(13) 0.1134(12) 0.055(4) Uani 1 1 d . . . . .
C7B C 0.0430(13) 0.6487(9) 0.5680(13) 0.045(4) Uani 1 1 d . . . . .
C7C C 0.5953(18) 0.9169(12) 0.7700(12) 0.070(5) Uani 1 1 d . . . . .
C7D C 0.7332(18) 0.7613(12) 0.2883(15) 0.067(5) Uani 1 1 d . . . . .
C8A C 0.2521(16) 0.6678(10) 0.0677(12) 0.074(5) Uani 1 1 d . . . . .
H8AA H 0.2185 0.7076 0.1073 0.111 Uiso 1 1 calc GR . . . .
H8AB H 0.2309 0.6893 0.0090 0.111 Uiso 1 1 calc GR . . . .
H8AC H 0.3398 0.6763 0.0975 0.111 Uiso 1 1 calc GR . . . .
C8B C -0.0717(14) 0.5629(11) 0.3035(12) 0.061(5) Uani 1 1 d . . . . .
H8BA H -0.0337 0.6209 0.2906 0.091 Uiso 1 1 calc GR . . . .
H8BB H -0.1547 0.5450 0.2599 0.091 Uiso 1 1 calc GR . . . .
H8BC H -0.0270 0.5077 0.2975 0.091 Uiso 1 1 calc GR . . . .
C8C C 0.2743(15) 0.9359(12) 0.6122(13) 0.073(5) Uani 1 1 d . . . . .
H8CA H 0.2874 0.9675 0.5650 0.109 Uiso 1 1 calc GR . . . .
H8CB H 0.2116 0.9644 0.6301 0.109 Uiso 1 1 calc GR . . . .
H8CC H 0.2491 0.8649 0.5879 0.109 Uiso 1 1 calc GR . . . .
C8D C 0.8145(17) 0.8654(12) 0.5485(14) 0.092(7) Uani 1 1 d . . . . .
H8DA H 0.7603 0.9149 0.5468 0.138 Uiso 1 1 calc GR . . . .
H8DB H 0.8938 0.8921 0.5954 0.138 Uiso 1 1 calc GR . . . .
H8DC H 0.7821 0.8062 0.5632 0.138 Uiso 1 1 calc GR . . . .
C9A C 0.1562(17) 0.3684(14) 0.1947(14) 0.094(7) Uani 1 1 d . . . . .
H9AA H 0.2394 0.3742 0.2370 0.141 Uiso 1 1 calc GR . . . .
H9AB H 0.1217 0.2987 0.1726 0.141 Uiso 1 1 calc GR . . . .
H9AC H 0.1092 0.4026 0.2265 0.141 Uiso 1 1 calc GR . . . .
C9B C 0.1592(15) 0.6885(10) 0.6488(12) 0.065(5) Uani 1 1 d . . . . .
H9BA H 0.2242 0.6547 0.6399 0.097 Uiso 1 1 calc GR . . . .
H9BB H 0.1496 0.6771 0.7053 0.097 Uiso 1 1 calc GR . . . .
H9BC H 0.1787 0.7594 0.6533 0.097 Uiso 1 1 calc GR . . . .
C9C C 0.7002(13) 0.8566(13) 0.7694(13) 0.082(6) Uani 1 1 d . . . . .
H9CA H 0.6684 0.7863 0.7474 0.123 Uiso 1 1 calc GR . . . .
H9CB H 0.7602 0.8672 0.8316 0.123 Uiso 1 1 calc GR . . . .
H9CC H 0.7377 0.8787 0.7287 0.123 Uiso 1 1 calc GR . . . .
C9D C 0.628(2) 0.7010(14) 0.2066(13) 0.096(7) Uani 1 1 d . . . . .
H9DA H 0.6055 0.6383 0.2211 0.144 Uiso 1 1 calc GR . . . .
H9DB H 0.6522 0.6881 0.1532 0.144 Uiso 1 1 calc GR . . . .
H9DC H 0.5598 0.7378 0.1929 0.144 Uiso 1 1 calc GR . . . .
C11 C 0.5114(13) 0.4440(12) 0.3797(13) 0.057(5) Uani 1 1 d . . . . .
N11 N 0.5190(13) 0.4169(11) 0.3102(11) 0.076(5) Uani 1 1 d . . . . .
Au2 Au 0.31808(6) 0.90764(4) 0.35567(5) 0.0575(2) Uani 1 1 d . . . . .
C21 C 0.1670(18) 0.8497(19) 0.2389(16) 0.071(6) Uani 1 1 d . . . . .
N21 N 0.0951(18) 0.8373(15) 0.1856(14) 0.095(6) Uani 1 1 d . . . . .
N22 N 0.4601(10) 0.9787(8) 0.4682(9) 0.055(4) Uani 1 1 d . . . . .
C50 C -0.0697(17) 1.0196(14) 0.1221(13) 0.082(6) Uani 1 1 d . . . . .
H50 H 0.0015 0.9837 0.1319 0.099 Uiso 1 1 calc R . . . .
Cl51 Cl -0.0594(7) 1.0892(6) 0.2290(5) 0.157(3) Uani 1 1 d . . . . .
Cl52 Cl -0.0681(5) 1.1005(4) 0.0454(5) 0.112(2) Uani 1 1 d . . . . .
Cl53 Cl -0.2017(6) 0.9321(5) 0.0742(5) 0.135(2) Uani 1 1 d . . . . .
C60 C 0.4681(15) 0.6837(12) 0.8795(12) 0.071(5) Uani 1 1 d . . . . .
H60 H 0.4627 0.6666 0.8145 0.086 Uiso 1 1 calc R . . . .
Cl61 Cl 0.6187(5) 0.7146(7) 0.9501(5) 0.154(3) Uani 1 1 d . . . . .
Cl62 Cl 0.3919(6) 0.7846(5) 0.8913(5) 0.121(2) Uani 1 1 d . . . . .
Cl63 Cl 0.4038(7) 0.5810(4) 0.9059(6) 0.144(3) Uani 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
Au1 Rh1 3.2090(11) . ?
Au1 Rh1 3.2090(11) 2_666 ?
Au1 C11 1.956(18) 2_666 ?
Au1 C11 1.956(18) . ?
C1A N1A 1.141(17) . ?
C1A Rh1 1.981(16) . ?
C1B N1B 1.141(15) . ?
C1B Rh1 1.995(15) . ?
C1C N1C 1.184(16) . ?
C1C Rh1 1.952(15) . ?
C1D N1D 1.159(17) . ?
C1D Rh1 1.988(17) . ?
N1A C2A 1.411(18) . ?
N1B C2B 1.378(16) . ?
N1C C2C 1.365(16) . ?
N1D C2D 1.327(18) . ?
C2A C3A 1.38(2) . ?
C2A C7A 1.36(2) . ?
C2B C3B 1.38(2) . ?
C2B C7B 1.39(2) . ?
C2C C3C 1.438(19) . ?
C2C C7C 1.29(2) . ?
C2D C3D 1.43(2) . ?
C2D C7D 1.38(2) . ?
C3A C4A 1.39(2) . ?
C3A C8A 1.51(2) . ?
C3B C4B 1.42(2) . ?
C3B C8B 1.46(2) . ?
C3C C4C 1.39(2) . ?
C3C C8C 1.50(2) . ?
C3D C4D 1.38(3) . ?
C3D C8D 1.46(2) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.37(2) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.35(2) . ?
C4C H4C 0.9300 . ?
C4C C5C 1.35(3) . ?
C4D H4D 0.9300 . ?
C4D C5D 1.31(4) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.33(2) . ?
C5B H5B 0.9300 . ?
C5B C6B 1.36(2) . ?
C5C H5C 0.9300 . ?
C5C C6C 1.37(2) . ?
C5D H5D 0.9300 . ?
C5D C6D 1.40(4) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.37(2) . ?
C6B H6B 0.9300 . ?
C6B C7B 1.42(2) . ?
C6C H6C 0.9300 . ?
C6C C7C 1.41(2) . ?
C6D H6D 0.9300 . ?
C6D C7D 1.38(3) . ?
C7A C9A 1.50(2) . ?
C7B C9B 1.49(2) . ?
C7C C9C 1.53(2) . ?
C7D C9D 1.49(2) . ?
C8A H8AA 0.9600 . ?
C8A H8AB 0.9600 . ?
C8A H8AC 0.9600 . ?
C8B H8BA 0.9600 . ?
C8B H8BB 0.9600 . ?
C8B H8BC 0.9600 . ?
C8C H8CA 0.9600 . ?
C8C H8CB 0.9600 . ?
C8C H8CC 0.9600 . ?
C8D H8DA 0.9600 . ?
C8D H8DB 0.9600 . ?
C8D H8DC 0.9600 . ?
C9A H9AA 0.9600 . ?
C9A H9AB 0.9600 . ?
C9A H9AC 0.9600 . ?
C9B H9BA 0.9600 . ?
C9B H9BB 0.9600 . ?
C9B H9BC 0.9600 . ?
C9C H9CA 0.9600 . ?
C9C H9CB 0.9600 . ?
C9C H9CC 0.9600 . ?
C9D H9DA 0.9600 . ?
C9D H9DB 0.9600 . ?
C9D H9DC 0.9600 . ?
C11 N11 1.120(19) . ?
Au2 C21 2.04(2) . ?
Au2 N22 1.989(11) . ?
C21 N21 0.94(2) . ?
N22 N22 1.13(2) 2_676 ?
C50 H50 0.9800 . ?
C50 Cl51 1.733(19) . ?
C50 Cl52 1.755(19) . ?
C50 Cl53 1.733(18) . ?
C60 H60 0.9800 . ?
C60 Cl61 1.703(17) . ?
C60 Cl62 1.714(16) . ?
C60 Cl63 1.713(17) . ?

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
Rh1 Au1 Rh1 180.0 2_666 . ?
C11 Au1 Rh1 91.5(5) 2_666 2_666 ?
C11 Au1 Rh1 88.5(5) 2_666 . ?
C11 Au1 Rh1 88.5(5) . 2_666 ?
C11 Au1 Rh1 91.5(5) . . ?
C11 Au1 C11 180.0 . 2_666 ?
N1A C1A Rh1 179.1(14) . . ?
N1B C1B Rh1 175.3(12) . . ?
N1C C1C Rh1 171.1(12) . . ?
N1D C1D Rh1 179.8(14) . . ?
C1A N1A C2A 177.1(15) . . ?
C1B N1B C2B 174.7(14) . . ?
C1C N1C C2C 176.0(14) . . ?
C1D N1D C2D 175.9(13) . . ?
C1A Rh1 Au1 94.0(4) . . ?
C1A Rh1 C1B 90.3(5) . . ?
C1A Rh1 C1D 91.0(5) . . ?
C1B Rh1 Au1 94.3(3) . . ?
C1C Rh1 Au1 92.1(4) . . ?
C1C Rh1 C1A 173.6(5) . . ?
C1C Rh1 C1B 87.1(5) . . ?
C1C Rh1 C1D 91.3(5) . . ?
C1D Rh1 Au1 88.9(3) . . ?
C1D Rh1 C1B 176.5(5) . . ?
C3A C2A N1A 117.7(13) . . ?
C7A C2A N1A 117.5(15) . . ?
C7A C2A C3A 124.6(15) . . ?
N1B C2B C7B 114.5(13) . . ?
C3B C2B N1B 119.2(14) . . ?
C3B C2B C7B 126.3(13) . . ?
N1C C2C C3C 113.2(13) . . ?
C7C C2C N1C 123.5(14) . . ?
C7C C2C C3C 123.0(14) . . ?
N1D C2D C3D 117.2(16) . . ?
N1D C2D C7D 119.0(16) . . ?
C7D C2D C3D 123.7(17) . . ?
C2A C3A C4A 116.1(15) . . ?
C2A C3A C8A 121.6(15) . . ?
C4A C3A C8A 122.2(16) . . ?
C2B C3B C4B 114.1(16) . . ?
C2B C3B C8B 122.4(13) . . ?
C4B C3B C8B 123.4(16) . . ?
C2C C3C C8C 123.3(14) . . ?
C4C C3C C2C 115.3(17) . . ?
C4C C3C C8C 121.4(17) . . ?
C2D C3D C8D 122.2(16) . . ?
C4D C3D C2D 113(2) . . ?
C4D C3D C8D 124(2) . . ?
C3A C4A H4A 119.7 . . ?
C5A C4A C3A 120.7(18) . . ?
C5A C4A H4A 119.7 . . ?
C3B C4B H4B 118.6 . . ?
C5B C4B C3B 122.8(16) . . ?
C5B C4B H4B 118.6 . . ?
C3C C4C H4C 119.4 . . ?
C5C C4C C3C 121.1(19) . . ?
C5C C4C H4C 119.4 . . ?
C3D C4D H4D 116.8 . . ?
C5D C4D C3D 126(3) . . ?
C5D C4D H4D 116.8 . . ?
C4A C5A H5A 120.3 . . ?
C6A C5A C4A 119.3(18) . . ?
C6A C5A H5A 120.3 . . ?
C4B C5B H5B 119.6 . . ?
C4B C5B C6B 120.8(16) . . ?
C6B C5B H5B 119.6 . . ?
C4C C5C H5C 119.0 . . ?
C4C C5C C6C 122.0(19) . . ?
C6C C5C H5C 119.0 . . ?
C4D C5D H5D 120.9 . . ?
C4D C5D C6D 118(2) . . ?
C6D C5D H5D 120.9 . . ?
C5A C6A H6A 118.0 . . ?
C5A C6A C7A 124.1(18) . . ?
C7A C6A H6A 118.0 . . ?
C5B C6B H6B 119.5 . . ?
C5B C6B C7B 120.9(17) . . ?
C7B C6B H6B 119.5 . . ?
C5C C6C H6C 121.1 . . ?
C5C C6C C7C 117.9(19) . . ?
C7C C6C H6C 121.1 . . ?
C5D C6D H6D 119.1 . . ?
C7D C6D C5D 122(2) . . ?
C7D C6D H6D 119.1 . . ?
C2A C7A C6A 115.0(16) . . ?
C2A C7A C9A 122.8(16) . . ?
C6A C7A C9A 122.2(17) . . ?
C2B C7B C6B 114.8(15) . . ?
C2B C7B C9B 124.6(13) . . ?
C6B C7B C9B 120.6(17) . . ?
C2C C7C C6C 120.4(18) . . ?
C2C C7C C9C 120.6(15) . . ?
C6C C7C C9C 119.0(18) . . ?
C2D C7D C6D 117(2) . . ?
C2D C7D C9D 121.6(17) . . ?
C6D C7D C9D 122(2) . . ?
C3A C8A H8AA 109.5 . . ?
C3A C8A H8AB 109.5 . . ?
C3A C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C3B C8B H8BA 109.5 . . ?
C3B C8B H8BB 109.5 . . ?
C3B C8B H8BC 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C3C C8C H8CA 109.5 . . ?
C3C C8C H8CB 109.5 . . ?
C3C C8C H8CC 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
C3D C8D H8DA 109.5 . . ?
C3D C8D H8DB 109.5 . . ?
C3D C8D H8DC 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
C7A C9A H9AA 109.5 . . ?
C7A C9A H9AB 109.5 . . ?
C7A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C7B C9B H9BA 109.5 . . ?
C7B C9B H9BB 109.5 . . ?
C7B C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C7C C9C H9CA 109.5 . . ?
C7C C9C H9CB 109.5 . . ?
C7C C9C H9CC 109.5 . . ?
H9CA C9C H9CB 109.5 . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?
C7D C9D H9DA 109.5 . . ?
C7D C9D H9DB 109.5 . . ?
C7D C9D H9DC 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?
N11 C11 Au1 176.4(17) . . ?
N22 Au2 C21 173.8(8) . . ?
N21 C21 Au2 168(3) . . ?
N22 N22 Au2 178.2(16) 2_676 . ?
Cl51 C50 H50 108.7 . . ?
Cl51 C50 Cl52 109.8(11) . . ?
Cl51 C50 Cl53 110.7(11) . . ?
Cl52 C50 H50 108.7 . . ?
Cl53 C50 H50 108.7 . . ?
Cl53 C50 Cl52 110.3(10) . . ?
Cl61 C60 H60 108.5 . . ?
Cl61 C60 Cl62 109.9(9) . . ?
Cl61 C60 Cl63 110.1(11) . . ?
Cl62 C60 H60 108.5 . . ?
Cl63 C60 H60 108.5 . . ?
Cl63 C60 Cl62 111.1(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 1.122
_oxdiff_exptl_absorpt_empirical_full_min 0.938
####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 1894644'
loop_
_audit_author_name
_audit_author_address
'Marconi N. Penas-Defrutos'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2019-01-30 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;
_audit_creation_date             2019-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H36 Au N6 Rh, C H Cl3'
_chemical_formula_sum            'C39 H37 Au Cl3 N6 Rh'
_chemical_formula_weight         995.97
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C38 H36 Au N6 Rh'
_chemical_oxdiff_usercomment     orange
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'
Au Au -2.0133 8.8022 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.6734(5)
_cell_length_b                   15.7599(12)
_cell_length_c                   17.8463(10)
_cell_angle_alpha                110.029(6)
_cell_angle_beta                 90.594(5)
_cell_angle_gamma                99.495(6)
_cell_volume                     1994.7(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4560
_cell_measurement_temperature    180.00(14)
_cell_measurement_theta_max      26.8570
_cell_measurement_theta_min      3.4450
_shelx_estimated_absorpt_T_max   0.705
_shelx_estimated_absorpt_T_min   0.247
_exptl_absorpt_coefficient_mu    4.323
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.457
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
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    1.658
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             976
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 21 -16 0.0433
0 -21 16 0.0433
9 -7 -10 0.1603
-9 7 10 0.1603
0 -1 24 0.0541
0 1 -24 0.0541
0 -21 1 0.0355
1 20 0 0.0592

_exptl_crystal_size_max          0.449
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.087
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0000 21.0000 -16.0000 0.4550 -0.4018 -0.8083
0.0000 -21.0000 16.0000 -0.4550 0.4018 0.8083
9.0000 -7.0000 -10.0000 0.5428 -0.5494 0.6005
-9.0000 7.0000 10.0000 -0.5428 0.5494 -0.6005
0.0000 -1.0000 24.0000 0.1114 0.9956 0.0203
-0.0000 1.0000 -24.0000 -0.1114 -0.9956 -0.0203
-0.0000 -21.0000 1.0000 -0.5409 -0.2284 0.8200
1.0000 20.0000 -0.0000 0.6075 0.2532 -0.7463

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_av_unetI/netI     0.0792
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.807
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13755
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.807
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.608
_diffrn_reflns_theta_min         3.419
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.00(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.807
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -35.00  63.00   1.00   14.61    --  -10.64  57.00-150.00   98
  2  ω    -76.00  18.00   1.00   14.61    --  -10.64 -57.00  60.00   94
  3  ω     34.00  99.00   1.00   14.61    --   12.20-178.00  60.00   65
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0869130000
_diffrn_orient_matrix_UB_12      0.0260282000
_diffrn_orient_matrix_UB_13      0.0057251000
_diffrn_orient_matrix_UB_21      -0.0043371000
_diffrn_orient_matrix_UB_22      0.0128791000
_diffrn_orient_matrix_UB_23      0.0420187000
_diffrn_orient_matrix_UB_31      0.0354509000
_diffrn_orient_matrix_UB_32      -0.0390862000
_diffrn_orient_matrix_UB_33      -0.0007838000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6718
_reflns_number_total             9062
_reflns_odcompleteness_completeness 98.68
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.440
_refine_diff_density_min         -1.367
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         9062
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0493
_refine_ls_restrained_S_all      1.064
_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)+(0.0400P)²+0.4738P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0976
_refine_ls_wR_factor_ref         0.1174
_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. Others
 Sof(H50A)=Sof(Cl1)=Sof(Cl2)=Sof(Cl3)=1-FVAR(1)
 Sof(H50)=Sof(Cl1Z)=Sof(Cl2Z)=Sof(Cl3Z)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C50(H50), C50(H50A)
3.b Aromatic/amide H refined with riding coordinates:
 C4A(H4A), C4B(H4B), C4C(H4C), C4D(H4D), C5A(H5A), C5B(H5B), C5C(H5C),
 C5D(H5D), C6A(H6A), C6B(H6B), C6C(H6C), C6D(H6D)
3.c Idealised Me refined as rotating group:
 C8A(H8AA,H8AB,H8AC), C8B(H8BA,H8BC,H8BB), C8C(H8CA,H8CB,H8CC), C8D(H8DA,H8DB,
 H8DC), C9A(H9AA,H9AB,H9AC), C9B(H9BA,H9BB,H9BC), C9C(H9CA,H9CB,H9CC), C9D(H9DA,
 H9DB,H9DC)
;
_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
Au1 Au 1.01936(3) 0.55236(2) 0.78408(2) 0.04139(10) Uani 1 1 d . . . . .
C1A C 0.6571(9) 0.4870(5) 0.6237(4) 0.0444(17) Uani 1 1 d . . . . .
C1B C 0.5564(8) 0.5565(4) 0.7837(4) 0.0385(15) Uani 1 1 d . . . . .
C1C C 0.7317(8) 0.7236(5) 0.8013(4) 0.0384(15) Uani 1 1 d . . . . .
C1D C 0.8319(9) 0.6687(5) 0.6463(4) 0.0392(15) Uani 1 1 d . . . . .
N1A N 0.6264(8) 0.4189(4) 0.5710(3) 0.0568(18) Uani 1 1 d . . . . .
N1B N 0.4730(7) 0.5362(4) 0.8307(4) 0.0449(14) Uani 1 1 d . . . . .
N1C N 0.7442(8) 0.7899(4) 0.8549(3) 0.0442(14) Uani 1 1 d . . . . .
Rh1 Rh 0.70369(6) 0.60526(3) 0.71218(3) 0.03467(13) Uani 1 1 d . . . . .
C2A C 0.5870(9) 0.3348(5) 0.5046(4) 0.0487(19) Uani 1 1 d . . . . .
C2B C 0.3747(9) 0.5131(5) 0.8877(5) 0.0497(19) Uani 1 1 d . . . . .
C2C C 0.7631(8) 0.8696(4) 0.9247(4) 0.0391(16) Uani 1 1 d . . . . .
C2D C 0.9778(9) 0.7757(6) 0.5760(4) 0.0477(18) Uani 1 1 d . . . . .
C3A C 0.6315(10) 0.3365(5) 0.4306(4) 0.055(2) Uani 1 1 d . . . . .
C3B C 0.2969(9) 0.4240(6) 0.8731(5) 0.0533(19) Uani 1 1 d . . . . .
C3C C 0.8515(9) 0.8685(5) 0.9923(4) 0.0505(18) Uani 1 1 d . . . . .
C3D C 1.0386(10) 0.8655(6) 0.6257(5) 0.057(2) Uani 1 1 d . . . . .
C4A C 0.5884(11) 0.2541(6) 0.3664(5) 0.063(2) Uani 1 1 d . . . . .
H4A H 0.6171 0.2520 0.3154 0.075 Uiso 1 1 calc R . . . .
C4B C 0.2044(10) 0.4037(6) 0.9327(5) 0.062(2) Uani 1 1 d . . . . .
H4B H 0.1471 0.3440 0.9238 0.075 Uiso 1 1 calc R . . . .
C4C C 0.8680(9) 0.9467(6) 1.0602(4) 0.060(2) Uani 1 1 d . . . . .
H4C H 0.9297 0.9497 1.1065 0.072 Uiso 1 1 calc R . . . .
C4D C 1.1053(11) 0.9278(6) 0.5891(5) 0.068(2) Uani 1 1 d . . . . .
H4D H 1.1462 0.9889 0.6203 0.082 Uiso 1 1 calc R . . . .
N004 N 0.9020(7) 0.7124(4) 0.6109(3) 0.0452(14) Uani 1 1 d . . . . .
C5A C 0.5047(12) 0.1764(6) 0.3774(5) 0.068(3) Uani 1 1 d . . . . .
H5A H 0.4759 0.1221 0.3338 0.082 Uiso 1 1 calc R . . . .
C5B C 0.1968(10) 0.4724(7) 1.0060(5) 0.066(2) Uani 1 1 d . . . . .
H5B H 0.1363 0.4577 1.0460 0.079 Uiso 1 1 calc R . . . .
C5C C 0.7930(10) 1.0194(6) 1.0589(5) 0.065(3) Uani 1 1 d . . . . .
H5C H 0.8003 1.0703 1.1055 0.078 Uiso 1 1 calc R . . . .
C5D C 1.1118(13) 0.9003(7) 0.5071(6) 0.079(3) Uani 1 1 d . . . . .
H5D H 1.1539 0.9433 0.4836 0.095 Uiso 1 1 calc R . . . .
C6A C 0.4624(12) 0.1776(6) 0.4527(5) 0.068(2) Uani 1 1 d . . . . .
H6A H 0.4068 0.1237 0.4591 0.082 Uiso 1 1 calc R . . . .
C6B C 0.2782(9) 0.5624(6) 1.0202(5) 0.059(2) Uani 1 1 d . . . . .
H6B H 0.2717 0.6072 1.0696 0.071 Uiso 1 1 calc R . . . .
C6C C 0.7070(9) 1.0191(5) 0.9905(5) 0.055(2) Uani 1 1 d . . . . .
H6C H 0.6617 1.0705 0.9910 0.066 Uiso 1 1 calc R . . . .
C6D C 1.0569(12) 0.8105(7) 0.4603(5) 0.068(2) Uani 1 1 d . . . . .
H6D H 1.0667 0.7929 0.4054 0.082 Uiso 1 1 calc R . . . .
C7A C 0.5009(11) 0.2576(6) 0.5190(4) 0.059(2) Uani 1 1 d . . . . .
C7B C 0.3694(8) 0.5861(6) 0.9612(4) 0.0473(18) Uani 1 1 d . . . . .
C7C C 0.6875(9) 0.9416(5) 0.9200(4) 0.0477(18) Uani 1 1 d . . . . .
C7D C 0.9855(9) 0.7436(6) 0.4932(4) 0.0514(19) Uani 1 1 d . . . . .
C8A C 0.7257(11) 0.4209(6) 0.4185(5) 0.066(2) Uani 1 1 d . . . . .
H8AA H 0.6680 0.4715 0.4453 0.099 Uiso 1 1 calc GR . . . .
H8AB H 0.7234 0.4112 0.3623 0.099 Uiso 1 1 calc GR . . . .
H8AC H 0.8463 0.4342 0.4400 0.099 Uiso 1 1 calc GR . . . .
C8B C 0.3088(11) 0.3507(6) 0.7929(5) 0.070(2) Uani 1 1 d . . . . .
H8BA H 0.2389 0.2935 0.7912 0.105 Uiso 1 1 calc GR . . . .
H8BC H 0.4300 0.3435 0.7858 0.105 Uiso 1 1 calc GR . . . .
H8BB H 0.2650 0.3684 0.7510 0.105 Uiso 1 1 calc GR . . . .
C8C C 0.9396(11) 0.7894(6) 0.9905(5) 0.068(2) Uani 1 1 d . . . . .
H8CA H 0.8591 0.7327 0.9648 0.103 Uiso 1 1 calc GR . . . .
H8CB H 0.9718 0.7945 1.0442 0.103 Uiso 1 1 calc GR . . . .
H8CC H 1.0439 0.7905 0.9614 0.103 Uiso 1 1 calc GR . . . .
C8D C 1.0330(13) 0.8940(6) 0.7152(5) 0.075(3) Uani 1 1 d . . . . .
H8DA H 0.9125 0.8829 0.7285 0.113 Uiso 1 1 calc GR . . . .
H8DB H 1.0815 0.9582 0.7394 0.113 Uiso 1 1 calc GR . . . .
H8DC H 1.1014 0.8592 0.7347 0.113 Uiso 1 1 calc GR . . . .
C9A C 0.4582(13) 0.2603(6) 0.6015(5) 0.080(3) Uani 1 1 d . . . . .
H9AA H 0.3948 0.2013 0.5988 0.121 Uiso 1 1 calc GR . . . .
H9AB H 0.3864 0.3060 0.6238 0.121 Uiso 1 1 calc GR . . . .
H9AC H 0.5661 0.2751 0.6347 0.121 Uiso 1 1 calc GR . . . .
C9B C 0.4538(10) 0.6829(6) 0.9749(5) 0.063(2) Uani 1 1 d . . . . .
H9BA H 0.5780 0.6860 0.9673 0.094 Uiso 1 1 calc GR . . . .
H9BB H 0.4380 0.7208 1.0285 0.094 Uiso 1 1 calc GR . . . .
H9BC H 0.3996 0.7044 0.9377 0.094 Uiso 1 1 calc GR . . . .
C9C C 0.5917(9) 0.9386(5) 0.8460(5) 0.057(2) Uani 1 1 d . . . . .
H9CA H 0.6729 0.9351 0.8049 0.085 Uiso 1 1 calc GR . . . .
H9CB H 0.5415 0.9932 0.8568 0.085 Uiso 1 1 calc GR . . . .
H9CC H 0.4988 0.8857 0.8284 0.085 Uiso 1 1 calc GR . . . .
C9D C 0.9260(11) 0.6457(6) 0.4440(4) 0.063(2) Uani 1 1 d . . . . .
H9DA H 0.9955 0.6088 0.4603 0.094 Uiso 1 1 calc GR . . . .
H9DB H 0.9405 0.6373 0.3887 0.094 Uiso 1 1 calc GR . . . .
H9DC H 0.8034 0.6274 0.4510 0.094 Uiso 1 1 calc GR . . . .
C11A C 0.8891(8) 0.4247(5) 0.7656(4) 0.0414(16) Uani 1 1 d . . . . .
C11B C 1.1580(9) 0.6802(6) 0.8040(4) 0.0438(18) Uani 1 1 d . . . . .
N11A N 0.8197(9) 0.3523(5) 0.7531(4) 0.0628(18) Uani 1 1 d . . . . .
N11B N 1.2247(10) 0.7446(6) 0.8166(5) 0.069(2) Uani 1 1 d . . . . .
C50 C 0.6826(16) 0.1539(6) 0.7485(6) 0.093(3) Uani 1 1 d . . . . .
H50 H 0.7021 0.2110 0.7368 0.112 Uiso 0.491(10) 1 calc R . P A 1
H50A H 0.7046 0.2131 0.7405 0.112 Uiso 0.509(10) 1 calc R . P A 2
Cl1Z Cl 0.7993(11) 0.1650(5) 0.8350(5) 0.121(4) Uani 0.491(10) 1 d . . P A 1
Cl2Z Cl 0.717(3) 0.0673(6) 0.6729(6) 0.249(12) Uani 0.491(10) 1 d . . P A 1
Cl3Z Cl 0.4514(9) 0.1243(7) 0.7737(9) 0.166(6) Uani 0.491(10) 1 d . . P A 1
Cl1 Cl 0.594(3) 0.1695(8) 0.8261(7) 0.306(15) Uani 0.509(10) 1 d . . P A 2
Cl2 Cl 0.8925(14) 0.1188(7) 0.7474(8) 0.190(6) Uani 0.509(10) 1 d . . P A 2
Cl3 Cl 0.5774(16) 0.0769(7) 0.6630(7) 0.158(5) Uani 0.509(10) 1 d . . P A 2


_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
Au1 Rh1 3.0893(6) . ?
Au1 C11A 2.008(8) . ?
Au1 C11B 2.028(9) . ?
C1A N1A 1.146(8) . ?
C1A Rh1 1.962(7) . ?
C1B N1B 1.159(8) . ?
C1B Rh1 1.978(7) . ?
C1C N1C 1.138(8) . ?
C1C Rh1 1.971(7) . ?
C1D Rh1 1.963(7) . ?
C1D N004 1.160(9) . ?
N1A C2A 1.427(9) . ?
N1B C2B 1.384(9) . ?
N1C C2C 1.419(8) . ?
C2A C3A 1.376(11) . ?
C2A C7A 1.391(11) . ?
C2B C3B 1.365(10) . ?
C2B C7B 1.425(10) . ?
C2C C3C 1.384(10) . ?
C2C C7C 1.383(10) . ?
C2D C3D 1.386(11) . ?
C2D N004 1.401(9) . ?
C2D C7D 1.393(9) . ?
C3A C4A 1.393(10) . ?
C3A C8A 1.490(12) . ?
C3B C4B 1.383(11) . ?
C3B C8B 1.516(11) . ?
C3C C4C 1.387(10) . ?
C3C C8C 1.505(10) . ?
C3D C4D 1.391(11) . ?
C3D C8D 1.508(10) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.362(12) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.392(12) . ?
C4C H4C 0.9300 . ?
C4C C5C 1.371(12) . ?
C4D H4D 0.9300 . ?
C4D C5D 1.380(12) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.380(12) . ?
C5B H5B 0.9300 . ?
C5B C6B 1.387(12) . ?
C5C H5C 0.9300 . ?
C5C C6C 1.380(11) . ?
C5D H5D 0.9300 . ?
C5D C6D 1.366(12) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.388(10) . ?
C6B H6B 0.9300 . ?
C6B C7B 1.392(10) . ?
C6C H6C 0.9300 . ?
C6C C7C 1.407(9) . ?
C6D H6D 0.9300 . ?
C6D C7D 1.414(11) . ?
C7A C9A 1.498(11) . ?
C7B C9B 1.491(11) . ?
C7C C9C 1.489(10) . ?
C7D C9D 1.480(11) . ?
C8A H8AA 0.9600 . ?
C8A H8AB 0.9600 . ?
C8A H8AC 0.9600 . ?
C8B H8BA 0.9600 . ?
C8B H8BC 0.9600 . ?
C8B H8BB 0.9600 . ?
C8C H8CA 0.9600 . ?
C8C H8CB 0.9600 . ?
C8C H8CC 0.9600 . ?
C8D H8DA 0.9600 . ?
C8D H8DB 0.9600 . ?
C8D H8DC 0.9600 . ?
C9A H9AA 0.9600 . ?
C9A H9AB 0.9600 . ?
C9A H9AC 0.9600 . ?
C9B H9BA 0.9600 . ?
C9B H9BB 0.9600 . ?
C9B H9BC 0.9600 . ?
C9C H9CA 0.9600 . ?
C9C H9CB 0.9600 . ?
C9C H9CC 0.9600 . ?
C9D H9DA 0.9600 . ?
C9D H9DB 0.9600 . ?
C9D H9DC 0.9600 . ?
C11A N11A 1.120(9) . ?
C11B N11B 1.006(9) . ?
C50 H50 0.9800 . ?
C50 H50A 0.9800 . ?
C50 Cl1Z 1.719(11) . ?
C50 Cl2Z 1.618(12) . ?
C50 Cl3Z 1.859(15) . ?
C50 Cl1 1.512(13) . ?
C50 Cl2 1.786(14) . ?
C50 Cl3 1.683(13) . ?

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
C11A Au1 Rh1 92.88(17) . . ?
C11A Au1 C11B 178.2(2) . . ?
C11B Au1 Rh1 88.95(19) . . ?
N1A C1A Rh1 178.0(6) . . ?
N1B C1B Rh1 173.5(6) . . ?
N1C C1C Rh1 176.8(6) . . ?
N004 C1D Rh1 174.4(6) . . ?
C1A N1A C2A 179.1(7) . . ?
C1B N1B C2B 179.2(8) . . ?
C1C N1C C2C 176.6(7) . . ?
C1A Rh1 Au1 92.18(18) . . ?
C1A Rh1 C1B 92.7(3) . . ?
C1A Rh1 C1C 175.8(3) . . ?
C1A Rh1 C1D 92.9(3) . . ?
C1B Rh1 Au1 86.45(17) . . ?
C1C Rh1 Au1 91.12(18) . . ?
C1C Rh1 C1B 84.9(3) . . ?
C1D Rh1 Au1 99.31(18) . . ?
C1D Rh1 C1B 171.8(2) . . ?
C1D Rh1 C1C 89.1(3) . . ?
C3A C2A N1A 117.7(8) . . ?
C3A C2A C7A 124.7(7) . . ?
C7A C2A N1A 117.5(7) . . ?
N1B C2B C7B 115.8(7) . . ?
C3B C2B N1B 120.2(7) . . ?
C3B C2B C7B 123.9(7) . . ?
C3C C2C N1C 117.8(6) . . ?
C7C C2C N1C 117.0(6) . . ?
C7C C2C C3C 125.2(6) . . ?
C3D C2D N004 118.0(6) . . ?
C3D C2D C7D 124.6(7) . . ?
C7D C2D N004 117.3(7) . . ?
C2A C3A C4A 116.7(8) . . ?
C2A C3A C8A 122.6(7) . . ?
C4A C3A C8A 120.6(8) . . ?
C2B C3B C4B 118.1(8) . . ?
C2B C3B C8B 120.4(7) . . ?
C4B C3B C8B 121.5(8) . . ?
C2C C3C C4C 117.2(7) . . ?
C2C C3C C8C 121.5(6) . . ?
C4C C3C C8C 121.1(7) . . ?
C2D C3D C4D 116.9(7) . . ?
C2D C3D C8D 121.5(8) . . ?
C4D C3D C8D 121.6(8) . . ?
C3A C4A H4A 119.6 . . ?
C5A C4A C3A 120.9(8) . . ?
C5A C4A H4A 119.6 . . ?
C3B C4B H4B 119.9 . . ?
C3B C4B C5B 120.2(9) . . ?
C5B C4B H4B 119.9 . . ?
C3C C4C H4C 120.1 . . ?
C5C C4C C3C 119.7(8) . . ?
C5C C4C H4C 120.1 . . ?
C3D C4D H4D 119.5 . . ?
C5D C4D C3D 120.9(9) . . ?
C5D C4D H4D 119.5 . . ?
C1D N004 C2D 171.9(7) . . ?
C4A C5A H5A 119.7 . . ?
C4A C5A C6A 120.6(7) . . ?
C6A C5A H5A 119.7 . . ?
C4B C5B H5B 119.5 . . ?
C6B C5B C4B 121.0(8) . . ?
C6B C5B H5B 119.5 . . ?
C4C C5C H5C 119.1 . . ?
C4C C5C C6C 121.9(7) . . ?
C6C C5C H5C 119.1 . . ?
C4D C5D H5D 119.7 . . ?
C6D C5D C4D 120.6(9) . . ?
C6D C5D H5D 119.7 . . ?
C5A C6A H6A 119.3 . . ?
C5A C6A C7A 121.4(9) . . ?
C7A C6A H6A 119.3 . . ?
C5B C6B H6B 119.7 . . ?
C5B C6B C7B 120.6(8) . . ?
C7B C6B H6B 119.7 . . ?
C5C C6C H6C 119.8 . . ?
C5C C6C C7C 120.5(8) . . ?
C7C C6C H6C 119.8 . . ?
C5D C6D H6D 119.2 . . ?
C5D C6D C7D 121.6(8) . . ?
C7D C6D H6D 119.2 . . ?
C2A C7A C9A 122.0(7) . . ?
C6A C7A C2A 115.7(8) . . ?
C6A C7A C9A 122.3(9) . . ?
C2B C7B C9B 122.7(7) . . ?
C6B C7B C2B 116.1(8) . . ?
C6B C7B C9B 121.2(7) . . ?
C2C C7C C6C 115.5(7) . . ?
C2C C7C C9C 123.0(6) . . ?
C6C C7C C9C 121.6(7) . . ?
C2D C7D C6D 115.3(8) . . ?
C2D C7D C9D 121.9(7) . . ?
C6D C7D C9D 122.8(7) . . ?
C3A C8A H8AA 109.5 . . ?
C3A C8A H8AB 109.5 . . ?
C3A C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C3B C8B H8BA 109.5 . . ?
C3B C8B H8BC 109.5 . . ?
C3B C8B H8BB 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
H8BC C8B H8BB 109.5 . . ?
C3C C8C H8CA 109.5 . . ?
C3C C8C H8CB 109.5 . . ?
C3C C8C H8CC 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
C3D C8D H8DA 109.5 . . ?
C3D C8D H8DB 109.5 . . ?
C3D C8D H8DC 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
C7A C9A H9AA 109.5 . . ?
C7A C9A H9AB 109.5 . . ?
C7A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C7B C9B H9BA 109.5 . . ?
C7B C9B H9BB 109.5 . . ?
C7B C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C7C C9C H9CA 109.5 . . ?
C7C C9C H9CB 109.5 . . ?
C7C C9C H9CC 109.5 . . ?
H9CA C9C H9CB 109.5 . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?
C7D C9D H9DA 109.5 . . ?
C7D C9D H9DB 109.5 . . ?
C7D C9D H9DC 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?
N11A C11A Au1 177.6(7) . . ?
N11B C11B Au1 177.1(8) . . ?
Cl1Z C50 H50 112.0 . . ?
Cl1Z C50 Cl3Z 101.0(7) . . ?
Cl2Z C50 H50 112.0 . . ?
Cl2Z C50 Cl1Z 112.8(10) . . ?
Cl2Z C50 Cl3Z 106.5(10) . . ?
Cl3Z C50 H50 112.0 . . ?
Cl1 C50 H50A 106.4 . . ?
Cl1 C50 Cl2 115.1(11) . . ?
Cl1 C50 Cl3 119.7(12) . . ?
Cl2 C50 H50A 106.4 . . ?
Cl3 C50 H50A 106.4 . . ?
Cl3 C50 Cl2 101.9(7) . . ?

_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 1.493
_oxdiff_exptl_absorpt_empirical_full_min 0.732
####################################################################### 
# 
# 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_2c
_database_code_depnum_ccdc_archive 'CCDC 1894640'
loop_
_audit_author_name
_audit_author_address
'Marconi N. Penas-Defrutos'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2019-01-30 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;
_audit_creation_date             2019-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Au C2 N2, C36 H36 N4 Rh'
_chemical_formula_sum            'C38 H36 Au N6 Rh'
_chemical_formula_weight         876.60
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C38 H36 Au N6 Rh'
_chemical_oxdiff_usercomment     blue
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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                   16.9315(8)
_cell_length_b                   6.7987(4)
_cell_length_c                   31.6402(12)
_cell_angle_alpha                90
_cell_angle_beta                 98.038(4)
_cell_angle_gamma                90
_cell_volume                     3606.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3808
_cell_measurement_temperature    294
_cell_measurement_theta_max      23.0680
_cell_measurement_theta_min      3.5240
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.555
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.530
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1720
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
6 0 41 0.0506
-6 0 -41 0.0506
-9 -9 11 0.0486
9 9 -10 0.1037
24 0 -2 0.0068
-24 0 2 0.0148
6 6 30 0.0712

_exptl_crystal_size_max          0.189
_exptl_crystal_size_mid          0.116
_exptl_crystal_size_min          0.022
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
6.0000 -0.0000 41.0000 -0.1102 -0.4377 0.8880
-6.0000 0.0000 -41.0000 0.1102 0.4377 -0.8880
-9.0000 -9.0000 11.0000 0.2027 0.8481 0.5491
9.0000 9.0000 -10.0000 -0.1996 -0.8570 -0.5285
24.0000 -0.0000 -2.0000 -0.9614 -0.2806 0.1321
-24.0000 0.0000 2.0000 0.9614 0.2806 -0.1321
6.0000 6.0000 30.0000 -0.0180 -0.8961 0.4031

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_unetI/netI     0.1005
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.843
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            23992
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.843
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.762
_diffrn_reflns_theta_min         3.332
_diffrn_ambient_temperature      294
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -35.00  62.00   1.00   67.97    --  -10.64  57.00-150.00   97
  2  ω    -76.00  17.00   1.00   67.97    --  -10.64 -57.00  60.00   93
  3  ω     34.00  99.00   1.00   67.97    --   12.20-178.00  60.00   65
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0397954000
_diffrn_orient_matrix_UB_12      0.0211064000
_diffrn_orient_matrix_UB_13      0.0031366000
_diffrn_orient_matrix_UB_21      -0.0124287000
_diffrn_orient_matrix_UB_22      -0.0926314000
_diffrn_orient_matrix_UB_23      -0.0088565000
_diffrn_orient_matrix_UB_31      0.0072230000
_diffrn_orient_matrix_UB_32      -0.0430520000
_diffrn_orient_matrix_UB_33      0.0206019000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4089
_reflns_number_total             8694
_reflns_odcompleteness_completeness 99.28
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         8694
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1380
_refine_ls_R_factor_gt           0.0471
_refine_ls_restrained_S_all      0.934
_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)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0492
_refine_ls_wR_factor_ref         0.0702
_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:
 C4A(H4A), C4B(H4B), C4C(H4C), C4D(H4D), C5A(H5A), C5B(H5B), C5C(H5C),
 C5D(H5D), C6A(H6A), C6B(H6B), C6C(H6C), C6D(H6D)
2.b Idealised Me refined as rotating group:
 C8A(H8AA,H8AB,H8AC), C8B(H8BA,H8BB,H8BC), C8C(H8CA,H8CB,H8CC), C8D(H8DA,H8DB,
 H8DC), C9A(H9AA,H9AB,H9AC), C9B(H9BA,H9BB,H9BC), C9C(H9CA,H9CB,H9CC), C9D(H9DA,
 H9DB,H9DC)
;
_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
Au1 Au 0.71982(2) 0.17136(5) 0.35227(2) 0.06133(10) Uani 1 1 d . . . . .
C11A C 0.6829(4) 0.1830(11) 0.40932(19) 0.070(2) Uani 1 1 d . . . . .
C11B C 0.7550(4) 0.1605(11) 0.29460(19) 0.066(2) Uani 1 1 d . . . . .
N11A N 0.6606(5) 0.1905(11) 0.44033(18) 0.115(3) Uani 1 1 d . . . . .
N11B N 0.7723(4) 0.1566(10) 0.26196(17) 0.094(2) Uani 1 1 d . . . . .
C1A C 0.3998(4) 0.3175(10) 0.62582(16) 0.0528(17) Uani 1 1 d . . . . .
C1B C 0.3373(3) 0.3291(9) 0.70384(17) 0.0460(15) Uani 1 1 d . . . . .
C1C C 0.1845(4) 0.3264(10) 0.65779(16) 0.0513(17) Uani 1 1 d . . . . .
C1D C 0.2456(4) 0.3413(10) 0.58361(18) 0.0593(18) Uani 1 1 d . . . . .
N1A N 0.4611(3) 0.3132(7) 0.61419(13) 0.0486(13) Uani 1 1 d . . . . .
N1B N 0.3624(3) 0.3318(7) 0.73955(13) 0.0448(12) Uani 1 1 d . . . . .
N1C N 0.1196(3) 0.3220(8) 0.66441(13) 0.0539(14) Uani 1 1 d . . . . .
N1D N 0.2135(3) 0.3597(8) 0.54906(15) 0.0648(17) Uani 1 1 d . . . . .
Rh1 Rh 0.29301(3) 0.32759(9) 0.64337(2) 0.05389(16) Uani 1 1 d . . . . .
C2A C 0.5323(4) 0.3093(9) 0.59611(18) 0.0498(17) Uani 1 1 d . . . . .
C2B C 0.3831(4) 0.3353(9) 0.78440(15) 0.0459(15) Uani 1 1 d . . . . .
C2C C 0.0390(4) 0.2922(10) 0.66801(16) 0.0482(17) Uani 1 1 d . . . . .
C2D C 0.1732(4) 0.4067(11) 0.50852(18) 0.059(2) Uani 1 1 d . . . . .
C3A C 0.5265(5) 0.2857(10) 0.5518(2) 0.073(2) Uani 1 1 d . . . . .
C3B C 0.4627(4) 0.3365(10) 0.80101(19) 0.0592(18) Uani 1 1 d . . . . .
C3C C 0.0010(5) 0.4228(11) 0.69132(18) 0.062(2) Uani 1 1 d . . . . .
C3D C 0.1220(5) 0.5635(14) 0.5051(2) 0.095(3) Uani 1 1 d . . . . .
C4A C 0.5983(7) 0.2852(12) 0.5351(3) 0.100(4) Uani 1 1 d . . . . .
H4A H 0.5976 0.2649 0.5060 0.121 Uiso 1 1 calc R . . . .
C4B C 0.4799(6) 0.3361(11) 0.8453(2) 0.098(3) Uani 1 1 d . . . . .
H4B H 0.5328 0.3371 0.8582 0.117 Uiso 1 1 calc R . . . .
C4C C -0.0779(5) 0.3856(12) 0.6941(2) 0.076(3) Uani 1 1 d . . . . .
H4C H -0.1051 0.4716 0.7098 0.091 Uiso 1 1 calc R . . . .
C4D C 0.0839(6) 0.6113(14) 0.4651(3) 0.131(4) Uani 1 1 d . . . . .
H4D H 0.0491 0.7178 0.4615 0.158 Uiso 1 1 calc R . . . .
C5A C 0.6690(6) 0.3132(14) 0.5599(4) 0.114(4) Uani 1 1 d . . . . .
H5A H 0.7156 0.3181 0.5474 0.136 Uiso 1 1 calc R . . . .
C5B C 0.4203(8) 0.3342(13) 0.8702(2) 0.111(4) Uani 1 1 d . . . . .
H5B H 0.4332 0.3355 0.8997 0.133 Uiso 1 1 calc R . . . .
C5C C -0.1168(5) 0.2325(14) 0.6755(3) 0.091(3) Uani 1 1 d . . . . .
H5C H -0.1702 0.2128 0.6784 0.109 Uiso 1 1 calc R . . . .
C5D C 0.0974(6) 0.5012(17) 0.4302(3) 0.112(3) Uani 1 1 d . . . . .
H5D H 0.0714 0.5340 0.4033 0.134 Uiso 1 1 calc R . . . .
C6A C 0.6728(4) 0.3341(11) 0.6025(3) 0.086(2) Uani 1 1 d . . . . .
H6A H 0.7222 0.3523 0.6190 0.103 Uiso 1 1 calc R . . . .
C6B C 0.3419(7) 0.3304(12) 0.8524(2) 0.096(3) Uani 1 1 d . . . . .
H6B H 0.3024 0.3285 0.8701 0.115 Uiso 1 1 calc R . . . .
C6C C -0.0792(5) 0.1048(12) 0.6522(3) 0.096(3) Uani 1 1 d . . . . .
H6C H -0.1071 -0.0015 0.6390 0.116 Uiso 1 1 calc R . . . .
C6D C 0.1470(5) 0.3494(14) 0.4345(2) 0.087(3) Uani 1 1 d . . . . .
H6D H 0.1554 0.2782 0.4104 0.105 Uiso 1 1 calc R . . . .
C7A C 0.6046(5) 0.3292(10) 0.6227(2) 0.0638(19) Uani 1 1 d . . . . .
C7B C 0.3201(5) 0.3293(10) 0.80825(19) 0.0614(19) Uani 1 1 d . . . . .
C7C C 0.0015(5) 0.1308(11) 0.6478(2) 0.071(2) Uani 1 1 d . . . . .
C7D C 0.1867(5) 0.2942(12) 0.47386(19) 0.070(2) Uani 1 1 d . . . . .
C8A C 0.4474(6) 0.2556(12) 0.52556(19) 0.107(3) Uani 1 1 d . . . . .
H8AA H 0.4241 0.1356 0.5340 0.161 Uiso 1 1 calc GR . . . .
H8AB H 0.4540 0.2477 0.4960 0.161 Uiso 1 1 calc GR . . . .
H8AC H 0.4130 0.3640 0.5297 0.161 Uiso 1 1 calc GR . . . .
C8B C 0.5289(4) 0.3392(11) 0.7739(2) 0.087(2) Uani 1 1 d . . . . .
H8BA H 0.5066 0.3353 0.7443 0.131 Uiso 1 1 calc GR . . . .
H8BB H 0.5627 0.2268 0.7806 0.131 Uiso 1 1 calc GR . . . .
H8BC H 0.5597 0.4572 0.7795 0.131 Uiso 1 1 calc GR . . . .
C8C C 0.0437(5) 0.5939(12) 0.7136(2) 0.122(4) Uani 1 1 d . . . . .
H8CA H 0.0796 0.5479 0.7377 0.183 Uiso 1 1 calc GR . . . .
H8CB H 0.0056 0.6824 0.7230 0.183 Uiso 1 1 calc GR . . . .
H8CC H 0.0733 0.6613 0.6942 0.183 Uiso 1 1 calc GR . . . .
C8D C 0.1084(5) 0.6827(14) 0.5442(2) 0.162(5) Uani 1 1 d . . . . .
H8DA H 0.0865 0.5991 0.5641 0.243 Uiso 1 1 calc GR . . . .
H8DB H 0.0718 0.7880 0.5356 0.243 Uiso 1 1 calc GR . . . .
H8DC H 0.1582 0.7361 0.5575 0.243 Uiso 1 1 calc GR . . . .
C9A C 0.6070(4) 0.3425(10) 0.66989(19) 0.079(2) Uani 1 1 d . . . . .
H9AA H 0.5691 0.4390 0.6765 0.118 Uiso 1 1 calc GR . . . .
H9AB H 0.6595 0.3803 0.6827 0.118 Uiso 1 1 calc GR . . . .
H9AC H 0.5938 0.2169 0.6809 0.118 Uiso 1 1 calc GR . . . .
C9B C 0.2357(4) 0.3212(11) 0.7875(2) 0.088(3) Uani 1 1 d . . . . .
H9BA H 0.2249 0.4317 0.7687 0.132 Uiso 1 1 calc GR . . . .
H9BB H 0.2010 0.3251 0.8090 0.132 Uiso 1 1 calc GR . . . .
H9BC H 0.2269 0.2015 0.7715 0.132 Uiso 1 1 calc GR . . . .
C9C C 0.0459(5) -0.0034(13) 0.6219(2) 0.134(4) Uani 1 1 d . . . . .
H9CA H 0.0686 0.0719 0.6009 0.200 Uiso 1 1 calc GR . . . .
H9CB H 0.0099 -0.0997 0.6078 0.200 Uiso 1 1 calc GR . . . .
H9CC H 0.0877 -0.0686 0.6403 0.200 Uiso 1 1 calc GR . . . .
C9D C 0.2429(6) 0.1251(13) 0.4780(2) 0.135(4) Uani 1 1 d . . . . .
H9DA H 0.2967 0.1731 0.4811 0.203 Uiso 1 1 calc GR . . . .
H9DB H 0.2329 0.0443 0.4529 0.203 Uiso 1 1 calc GR . . . .
H9DC H 0.2353 0.0487 0.5026 0.203 Uiso 1 1 calc GR . . . .


_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
Au1 C11A 1.993(6) . ?
Au1 C11B 1.999(6) . ?
C11A N11A 1.100(6) . ?
C11B N11B 1.112(6) . ?
C1A N1A 1.149(6) . ?
C1A Rh1 1.966(6) . ?
C1B N1B 1.150(6) . ?
C1B Rh1 1.955(6) . ?
C1C N1C 1.146(7) . ?
C1C Rh1 1.954(6) . ?
C1D N1D 1.158(6) . ?
C1D Rh1 1.950(6) . ?
N1A C2A 1.405(7) . ?
N1B C2B 1.413(6) . ?
N1C C2C 1.400(7) . ?
N1D C2D 1.403(7) . ?
C2A C3A 1.400(8) . ?
C2A C7A 1.391(9) . ?
C2B C3B 1.377(8) . ?
C2B C7B 1.390(8) . ?
C2C C3C 1.371(8) . ?
C2C C7C 1.380(9) . ?
C2D C3D 1.368(9) . ?
C2D C7D 1.382(8) . ?
C3A C4A 1.392(10) . ?
C3A C8A 1.488(10) . ?
C3B C4B 1.392(8) . ?
C3B C8B 1.504(8) . ?
C3C C4C 1.374(9) . ?
C3C C8C 1.493(9) . ?
C3D C4D 1.379(9) . ?
C3D C8D 1.522(8) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.349(12) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.362(11) . ?
C4C H4C 0.9300 . ?
C4C C5C 1.326(10) . ?
C4D H4D 0.9300 . ?
C4D C5D 1.378(10) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.350(10) . ?
C5B H5B 0.9300 . ?
C5B C6B 1.368(12) . ?
C5C H5C 0.9300 . ?
C5C C6C 1.354(9) . ?
C5D H5D 0.9300 . ?
C5D C6D 1.326(10) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.395(8) . ?
C6B H6B 0.9300 . ?
C6B C7B 1.394(8) . ?
C6C H6C 0.9300 . ?
C6C C7C 1.404(9) . ?
C6D H6D 0.9300 . ?
C6D C7D 1.382(9) . ?
C7A C9A 1.491(7) . ?
C7B C9B 1.488(9) . ?
C7C C9C 1.497(8) . ?
C7D C9D 1.487(9) . ?
C8A H8AA 0.9600 . ?
C8A H8AB 0.9600 . ?
C8A H8AC 0.9600 . ?
C8B H8BA 0.9600 . ?
C8B H8BB 0.9600 . ?
C8B H8BC 0.9600 . ?
C8C H8CA 0.9600 . ?
C8C H8CB 0.9600 . ?
C8C H8CC 0.9600 . ?
C8D H8DA 0.9600 . ?
C8D H8DB 0.9600 . ?
C8D H8DC 0.9600 . ?
C9A H9AA 0.9600 . ?
C9A H9AB 0.9600 . ?
C9A H9AC 0.9600 . ?
C9B H9BA 0.9600 . ?
C9B H9BB 0.9600 . ?
C9B H9BC 0.9600 . ?
C9C H9CA 0.9600 . ?
C9C H9CB 0.9600 . ?
C9C H9CC 0.9600 . ?
C9D H9DA 0.9600 . ?
C9D H9DB 0.9600 . ?
C9D H9DC 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
C11A Au1 C11B 179.0(3) . . ?
N11A C11A Au1 178.3(7) . . ?
N11B C11B Au1 177.8(7) . . ?
N1A C1A Rh1 177.7(5) . . ?
N1B C1B Rh1 179.0(5) . . ?
N1C C1C Rh1 176.8(5) . . ?
N1D C1D Rh1 174.8(6) . . ?
C1A N1A C2A 174.7(6) . . ?
C1B N1B C2B 172.7(6) . . ?
C1C N1C C2C 171.1(7) . . ?
C1D N1D C2D 172.8(7) . . ?
C1B Rh1 C1A 92.0(2) . . ?
C1C Rh1 C1A 176.4(3) . . ?
C1C Rh1 C1B 90.9(2) . . ?
C1D Rh1 C1A 89.9(2) . . ?
C1D Rh1 C1B 176.5(3) . . ?
C1D Rh1 C1C 87.4(2) . . ?
C3A C2A N1A 117.7(6) . . ?
C7A C2A N1A 119.0(5) . . ?
C7A C2A C3A 123.3(6) . . ?
C3B C2B N1B 118.3(5) . . ?
C3B C2B C7B 125.2(5) . . ?
C7B C2B N1B 116.4(6) . . ?
C3C C2C N1C 119.1(6) . . ?
C3C C2C C7C 122.9(6) . . ?
C7C C2C N1C 117.9(6) . . ?
C3D C2D N1D 118.1(6) . . ?
C3D C2D C7D 122.8(7) . . ?
C7D C2D N1D 119.1(7) . . ?
C2A C3A C8A 120.4(7) . . ?
C4A C3A C2A 115.9(8) . . ?
C4A C3A C8A 123.6(7) . . ?
C2B C3B C4B 116.1(7) . . ?
C2B C3B C8B 123.4(5) . . ?
C4B C3B C8B 120.4(7) . . ?
C2C C3C C4C 116.8(7) . . ?
C2C C3C C8C 121.7(7) . . ?
C4C C3C C8C 121.6(7) . . ?
C2D C3D C4D 117.7(7) . . ?
C2D C3D C8D 121.2(7) . . ?
C4D C3D C8D 121.1(9) . . ?
C3A C4A H4A 119.0 . . ?
C5A C4A C3A 122.1(8) . . ?
C5A C4A H4A 119.0 . . ?
C3B C4B H4B 119.6 . . ?
C5B C4B C3B 120.9(9) . . ?
C5B C4B H4B 119.6 . . ?
C3C C4C H4C 118.6 . . ?
C5C C4C C3C 122.9(8) . . ?
C5C C4C H4C 118.6 . . ?
C3D C4D H4D 120.0 . . ?
C5D C4D C3D 120.0(9) . . ?
C5D C4D H4D 120.0 . . ?
C4A C5A H5A 119.7 . . ?
C4A C5A C6A 120.6(8) . . ?
C6A C5A H5A 119.7 . . ?
C4B C5B H5B 119.4 . . ?
C4B C5B C6B 121.2(8) . . ?
C6B C5B H5B 119.4 . . ?
C4C C5C H5C 119.9 . . ?
C4C C5C C6C 120.2(8) . . ?
C6C C5C H5C 119.9 . . ?
C4D C5D H5D 119.5 . . ?
C6D C5D C4D 121.0(8) . . ?
C6D C5D H5D 119.5 . . ?
C5A C6A H6A 119.0 . . ?
C5A C6A C7A 121.9(8) . . ?
C7A C6A H6A 119.0 . . ?
C5B C6B H6B 119.4 . . ?
C5B C6B C7B 121.2(8) . . ?
C7B C6B H6B 119.4 . . ?
C5C C6C H6C 119.6 . . ?
C5C C6C C7C 120.8(8) . . ?
C7C C6C H6C 119.6 . . ?
C5D C6D H6D 119.2 . . ?
C5D C6D C7D 121.6(8) . . ?
C7D C6D H6D 119.2 . . ?
C2A C7A C6A 116.1(6) . . ?
C2A C7A C9A 120.6(6) . . ?
C6A C7A C9A 123.3(8) . . ?
C2B C7B C6B 115.4(7) . . ?
C2B C7B C9B 121.6(5) . . ?
C6B C7B C9B 123.1(7) . . ?
C2C C7C C6C 116.4(6) . . ?
C2C C7C C9C 120.3(7) . . ?
C6C C7C C9C 123.3(8) . . ?
C2D C7D C9D 122.2(7) . . ?
C6D C7D C2D 116.9(8) . . ?
C6D C7D C9D 120.9(7) . . ?
C3A C8A H8AA 109.5 . . ?
C3A C8A H8AB 109.5 . . ?
C3A C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C3B C8B H8BA 109.5 . . ?
C3B C8B H8BB 109.5 . . ?
C3B C8B H8BC 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C3C C8C H8CA 109.5 . . ?
C3C C8C H8CB 109.5 . . ?
C3C C8C H8CC 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
C3D C8D H8DA 109.5 . . ?
C3D C8D H8DB 109.5 . . ?
C3D C8D H8DC 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
C7A C9A H9AA 109.5 . . ?
C7A C9A H9AB 109.5 . . ?
C7A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C7B C9B H9BA 109.5 . . ?
C7B C9B H9BB 109.5 . . ?
C7B C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C7C C9C H9CA 109.5 . . ?
C7C C9C H9CB 109.5 . . ?
C7C C9C H9CC 109.5 . . ?
H9CA C9C H9CB 109.5 . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?
C7D C9D H9DA 109.5 . . ?
C7D C9D H9DB 109.5 . . ?
C7D C9D H9DC 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?

_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 1.135
_oxdiff_exptl_absorpt_empirical_full_min 0.847
####################################################################### 
# 
# 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_2b
_database_code_depnum_ccdc_archive 'CCDC 1894643'
loop_
_audit_author_name
_audit_author_address
'Marconi N. Penas-Defrutos'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2019-01-30 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;
_audit_creation_date             2019-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H36 Au0.5 N5 Rh, Au0.5 C N'
_chemical_formula_sum            'C38 H36 Au N6 Rh'
_chemical_formula_weight         876.60
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C38 H36 Au N6 Rh'
_chemical_oxdiff_usercomment     'dark green'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7657(4)
_cell_length_b                   13.0544(5)
_cell_length_c                   13.1851(5)
_cell_angle_alpha                96.657(3)
_cell_angle_beta                 102.564(3)
_cell_angle_gamma                109.808(3)
_cell_volume                     1819.62(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2858
_cell_measurement_temperature    294
_cell_measurement_theta_max      22.3560
_cell_measurement_theta_min      3.6980
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.514
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.616
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             860
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 14 -13 0.0344
1 -14 13 0.0244
-15 -2 7 0.0954
15 2 -7 0.0954
0 -2 -17 0.0149
0 2 17 0.0100

_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.025
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.0000 14.0000 -13.0000 -0.9347 -0.2920 0.0071
1.0000 -14.0000 13.0000 0.9347 0.2920 -0.0071
-15.0000 -2.0000 7.0000 0.3443 0.1121 0.9436
15.0000 2.0000 -7.0000 -0.3443 -0.1121 -0.9436
0.0000 -2.0000 -17.0000 -0.2127 -0.9545 0.1459
-0.0000 2.0000 17.0000 0.2127 0.9545 -0.1459

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_unetI/netI     0.0959
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.814
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12812
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.814
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.556
_diffrn_reflns_theta_min         3.442
_diffrn_ambient_temperature      294
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.814
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -39.00  63.00   1.00   82.21    --  -10.64  57.00 -30.00  102
  2  ω    -78.00  18.00   1.00   82.21    --  -10.64 -57.00-180.00   96
  3  ω     34.00  99.00   1.00   82.21    --   12.20-178.00-180.00   65
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0076630000
_diffrn_orient_matrix_UB_12      -0.0502089000
_diffrn_orient_matrix_UB_13      0.0184193000
_diffrn_orient_matrix_UB_21      0.0132628000
_diffrn_orient_matrix_UB_22      0.0290506000
_diffrn_orient_matrix_UB_23      0.0527303000
_diffrn_orient_matrix_UB_31      -0.0648587000
_diffrn_orient_matrix_UB_32      -0.0109035000
_diffrn_orient_matrix_UB_33      -0.0073002000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4370
_reflns_number_total             8305
_reflns_odcompleteness_completeness 98.57
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.878
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         8305
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1309
_refine_ls_R_factor_gt           0.0543
_refine_ls_restrained_S_all      1.011
_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)+(0.0160P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0857
_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:
 C4A(H4A), C4B(H4B), C4C(H4C), C4D(H4D), C5A(H5A), C5B(H5B), C5C(H5C),
 C5D(H5D), C6A(H6A), C6B(H6B), C6C(H6C), C6D(H6D)
2.b Idealised Me refined as rotating group:
 C8A(H8AA,H8AB,H8AC), C8B(H8BA,H8BB,H8BC), C8C(H8CA,H8CB,H8CC), C8D(H8DA,H8DB,
 H8DC), C9A(H9AA,H9AB,H9AC), C9B(H9BA,H9BB,H9BC), C9C(H9CA,H9CB,H9CC), C9D(H9DA,
 H9DB,H9DC)
;
_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
Au1 Au 0.0000 0.0000 0.5000 0.05897(13) Uani 1 2 d S T P . .
C1A C 0.0745(6) 0.3008(5) 0.5624(5) 0.0613(17) Uani 1 1 d . . . . .
C1B C 0.2712(6) 0.2462(5) 0.6566(5) 0.0625(18) Uani 1 1 d . . . . .
C1C C 0.3110(6) 0.1900(6) 0.4692(4) 0.0627(18) Uani 1 1 d . . . . .
C1D C 0.0978(6) 0.2283(5) 0.3605(5) 0.0552(16) Uani 1 1 d . . . . .
N1A N 0.0179(5) 0.3438(4) 0.6008(4) 0.0685(15) Uani 1 1 d . . . . .
N1B N 0.3232(5) 0.2490(5) 0.7422(4) 0.0695(16) Uani 1 1 d . . . . .
N1C N 0.3936(5) 0.1635(4) 0.4583(4) 0.0641(15) Uani 1 1 d . . . . .
N1D N 0.0484(5) 0.2223(4) 0.2751(4) 0.0596(14) Uani 1 1 d . . . . .
Rh1 Rh 0.18231(4) 0.23614(4) 0.50943(4) 0.05695(16) Uani 1 1 d . . . . .
C2A C -0.0383(7) 0.3976(5) 0.6610(7) 0.073(2) Uani 1 1 d . . . . .
C2B C 0.3864(6) 0.2516(7) 0.8452(5) 0.0659(19) Uani 1 1 d . . . . .
C2C C 0.4985(6) 0.1366(5) 0.4532(6) 0.0611(18) Uani 1 1 d . . . . .
C2D C -0.0117(6) 0.2117(5) 0.1676(5) 0.0553(16) Uani 1 1 d . . . . .
C3A C -0.1312(7) 0.4296(6) 0.6055(8) 0.086(3) Uani 1 1 d . . . . .
C3B C 0.4875(8) 0.3465(8) 0.8961(7) 0.090(3) Uani 1 1 d . . . . .
C3C C 0.5909(6) 0.1617(5) 0.5455(6) 0.0677(19) Uani 1 1 d . . . . .
C3D C 0.0394(7) 0.1763(6) 0.0923(6) 0.074(2) Uani 1 1 d . . . . .
C4A C -0.1831(10) 0.4847(8) 0.6693(11) 0.133(4) Uani 1 1 d . . . . .
H4A H -0.2447 0.5096 0.6373 0.160 Uiso 1 1 calc R . . . .
C4B C 0.5508(9) 0.3496(11) 1.0024(9) 0.138(5) Uani 1 1 d . . . . .
H4B H 0.6215 0.4113 1.0409 0.166 Uiso 1 1 calc R . . . .
C4C C 0.6942(6) 0.1339(6) 0.5405(7) 0.077(2) Uani 1 1 d . . . . .
H4C H 0.7589 0.1487 0.6017 0.093 Uiso 1 1 calc R . . . .
C4D C -0.0205(9) 0.1665(7) -0.0124(6) 0.099(3) Uani 1 1 d . . . . .
H4D H 0.0107 0.1424 -0.0656 0.119 Uiso 1 1 calc R . . . .
C5A C -0.1447(13) 0.5021(10) 0.7766(13) 0.159(7) Uani 1 1 d . . . . .
H5A H -0.1818 0.5378 0.8165 0.190 Uiso 1 1 calc R . . . .
C5B C 0.5055(10) 0.2612(14) 1.0454(9) 0.157(6) Uani 1 1 d . . . . .
H5B H 0.5442 0.2647 1.1159 0.188 Uiso 1 1 calc R . . . .
C5C C 0.7004(7) 0.0844(6) 0.4449(8) 0.084(2) Uani 1 1 d . . . . .
H5C H 0.7699 0.0667 0.4418 0.101 Uiso 1 1 calc R . . . .
C5D C -0.1238(8) 0.1913(7) -0.0388(6) 0.105(3) Uani 1 1 d . . . . .
H5D H -0.1625 0.1841 -0.1101 0.127 Uiso 1 1 calc R . . . .
C6A C -0.0536(11) 0.4691(8) 0.8281(10) 0.145(5) Uani 1 1 d . . . . .
H6A H -0.0289 0.4833 0.9019 0.174 Uiso 1 1 calc R . . . .
C6B C 0.4069(9) 0.1675(10) 0.9918(8) 0.126(4) Uani 1 1 d . . . . .
H6B H 0.3817 0.1077 1.0249 0.151 Uiso 1 1 calc R . . . .
C6C C 0.6059(6) 0.0608(6) 0.3546(6) 0.077(2) Uani 1 1 d . . . . .
H6C H 0.6123 0.0271 0.2912 0.093 Uiso 1 1 calc R . . . .
C6D C -0.1735(7) 0.2271(6) 0.0368(7) 0.092(2) Uani 1 1 d . . . . .
H6D H -0.2448 0.2439 0.0164 0.110 Uiso 1 1 calc R . . . .
C7A C 0.0026(9) 0.4143(7) 0.7705(8) 0.098(3) Uani 1 1 d . . . . .
C7B C 0.3431(7) 0.1599(8) 0.8884(6) 0.077(2) Uani 1 1 d . . . . .
C7C C 0.5001(6) 0.0858(6) 0.3548(6) 0.070(2) Uani 1 1 d . . . . .
C7D C -0.1173(6) 0.2382(6) 0.1439(6) 0.0692(18) Uani 1 1 d . . . . .
C8A C -0.1734(7) 0.4085(7) 0.4887(7) 0.106(3) Uani 1 1 d . . . . .
H8AA H -0.1021 0.4214 0.4607 0.160 Uiso 1 1 calc GR . . . .
H8AB H -0.2149 0.4577 0.4675 0.160 Uiso 1 1 calc GR . . . .
H8AC H -0.2308 0.3328 0.4619 0.160 Uiso 1 1 calc GR . . . .
C8B C 0.5357(8) 0.4444(8) 0.8462(8) 0.144(4) Uani 1 1 d . . . . .
H8BA H 0.5774 0.4264 0.7957 0.215 Uiso 1 1 calc GR . . . .
H8BB H 0.5940 0.5072 0.9003 0.215 Uiso 1 1 calc GR . . . .
H8BC H 0.4667 0.4623 0.8107 0.215 Uiso 1 1 calc GR . . . .
C8C C 0.5854(6) 0.2192(6) 0.6499(6) 0.091(2) Uani 1 1 d . . . . .
H8CA H 0.5134 0.1735 0.6688 0.136 Uiso 1 1 calc GR . . . .
H8CB H 0.5791 0.2896 0.6426 0.136 Uiso 1 1 calc GR . . . .
H8CC H 0.6603 0.2311 0.7043 0.136 Uiso 1 1 calc GR . . . .
C8D C 0.1554(7) 0.1493(7) 0.1248(6) 0.113(3) Uani 1 1 d . . . . .
H8DA H 0.2250 0.2155 0.1646 0.170 Uiso 1 1 calc GR . . . .
H8DB H 0.1740 0.1209 0.0625 0.170 Uiso 1 1 calc GR . . . .
H8DC H 0.1409 0.0942 0.1678 0.170 Uiso 1 1 calc GR . . . .
C9A C 0.1066(9) 0.3785(8) 0.8221(7) 0.136(3) Uani 1 1 d . . . . .
H9AA H 0.0828 0.3001 0.7971 0.204 Uiso 1 1 calc GR . . . .
H9AB H 0.1212 0.3941 0.8978 0.204 Uiso 1 1 calc GR . . . .
H9AC H 0.1821 0.4186 0.8042 0.204 Uiso 1 1 calc GR . . . .
C9B C 0.2309(7) 0.0607(7) 0.8289(7) 0.105(3) Uani 1 1 d . . . . .
H9BA H 0.1567 0.0770 0.8260 0.158 Uiso 1 1 calc GR . . . .
H9BB H 0.2271 -0.0003 0.8640 0.158 Uiso 1 1 calc GR . . . .
H9BC H 0.2362 0.0412 0.7581 0.158 Uiso 1 1 calc GR . . . .
C9C C 0.3951(7) 0.0604(7) 0.2584(6) 0.097(3) Uani 1 1 d . . . . .
H9CA H 0.3969 0.1282 0.2360 0.146 Uiso 1 1 calc GR . . . .
H9CB H 0.3168 0.0249 0.2740 0.146 Uiso 1 1 calc GR . . . .
H9CC H 0.4036 0.0117 0.2027 0.146 Uiso 1 1 calc GR . . . .
C9D C -0.1667(6) 0.2779(6) 0.2299(6) 0.098(3) Uani 1 1 d . . . . .
H9DA H -0.1922 0.2204 0.2689 0.146 Uiso 1 1 calc GR . . . .
H9DB H -0.2375 0.2957 0.1987 0.146 Uiso 1 1 calc GR . . . .
H9DC H -0.1020 0.3430 0.2770 0.146 Uiso 1 1 calc GR . . . .
C11 C -0.0406(6) 0.0497(5) 0.6310(5) 0.0641(18) Uani 1 1 d . . . . .
N11 N -0.0624(5) 0.0803(5) 0.7065(5) 0.0892(19) Uani 1 1 d . . . . .
Au2 Au 0.5000 0.5000 0.5000 0.1727(3) Uani 1 2 d S T P . .
C21 C 0.4980(14) 0.5918(12) 0.6296(10) 0.161(5) Uani 1 1 d . . . . .
N21 N 0.4825(18) 0.6344(13) 0.6998(9) 0.281(9) Uani 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
Au1 Rh1 3.0713(5) 2_556 ?
Au1 Rh1 3.0713(5) . ?
Au1 C11 1.985(7) 2_556 ?
Au1 C11 1.985(7) . ?
C1A N1A 1.162(6) . ?
C1A Rh1 1.945(6) . ?
C1B N1B 1.150(7) . ?
C1B Rh1 1.960(7) . ?
C1C N1C 1.166(6) . ?
C1C Rh1 1.958(6) . ?
C1D N1D 1.129(7) . ?
C1D Rh1 1.972(6) . ?
N1A C2A 1.405(7) . ?
N1B C2B 1.390(8) . ?
N1C C2C 1.406(7) . ?
N1D C2D 1.408(7) . ?
C2A C3A 1.391(10) . ?
C2A C7A 1.385(10) . ?
C2B C3B 1.364(10) . ?
C2B C7B 1.375(9) . ?
C2C C3C 1.364(9) . ?
C2C C7C 1.394(8) . ?
C2D C3D 1.380(7) . ?
C2D C7D 1.381(8) . ?
C3A C4A 1.407(10) . ?
C3A C8A 1.474(10) . ?
C3B C4B 1.426(12) . ?
C3B C8B 1.502(10) . ?
C3C C4C 1.393(8) . ?
C3C C8C 1.515(8) . ?
C3D C4D 1.376(9) . ?
C3D C8D 1.508(8) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.355(16) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.343(15) . ?
C4C H4C 0.9300 . ?
C4C C5C 1.376(9) . ?
C4D H4D 0.9300 . ?
C4D C5D 1.346(9) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.364(16) . ?
C5B H5B 0.9300 . ?
C5B C6B 1.350(15) . ?
C5C H5C 0.9300 . ?
C5C C6C 1.362(9) . ?
C5D H5D 0.9300 . ?
C5D C6D 1.372(9) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.392(11) . ?
C6B H6B 0.9300 . ?
C6B C7B 1.380(10) . ?
C6C H6C 0.9300 . ?
C6C C7C 1.389(8) . ?
C6D H6D 0.9300 . ?
C6D C7D 1.391(9) . ?
C7A C9A 1.509(11) . ?
C7B C9B 1.479(10) . ?
C7C C9C 1.481(9) . ?
C7D C9D 1.498(8) . ?
C8A H8AA 0.9600 . ?
C8A H8AB 0.9600 . ?
C8A H8AC 0.9600 . ?
C8B H8BA 0.9600 . ?
C8B H8BB 0.9600 . ?
C8B H8BC 0.9600 . ?
C8C H8CA 0.9600 . ?
C8C H8CB 0.9600 . ?
C8C H8CC 0.9600 . ?
C8D H8DA 0.9600 . ?
C8D H8DB 0.9600 . ?
C8D H8DC 0.9600 . ?
C9A H9AA 0.9600 . ?
C9A H9AB 0.9600 . ?
C9A H9AC 0.9600 . ?
C9B H9BA 0.9600 . ?
C9B H9BB 0.9600 . ?
C9B H9BC 0.9600 . ?
C9C H9CA 0.9600 . ?
C9C H9CB 0.9600 . ?
C9C H9CC 0.9600 . ?
C9D H9DA 0.9600 . ?
C9D H9DB 0.9600 . ?
C9D H9DC 0.9600 . ?
C11 N11 1.143(6) . ?
Au2 C21 1.979(14) 2_666 ?
Au2 C21 1.979(14) . ?
C21 N21 1.106(13) . ?

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
Rh1 Au1 Rh1 180.0 2_556 . ?
C11 Au1 Rh1 88.09(19) 2_556 . ?
C11 Au1 Rh1 88.09(19) . 2_556 ?
C11 Au1 Rh1 91.91(19) 2_556 2_556 ?
C11 Au1 Rh1 91.91(19) . . ?
C11 Au1 C11 180.0 2_556 . ?
N1A C1A Rh1 174.7(6) . . ?
N1B C1B Rh1 178.0(6) . . ?
N1C C1C Rh1 171.8(5) . . ?
N1D C1D Rh1 179.0(6) . . ?
C1A N1A C2A 171.9(7) . . ?
C1B N1B C2B 179.4(7) . . ?
C1C N1C C2C 175.5(7) . . ?
C1D N1D C2D 177.9(6) . . ?
C1A Rh1 Au1 91.21(18) . . ?
C1A Rh1 C1B 88.9(2) . . ?
C1A Rh1 C1C 171.7(3) . . ?
C1A Rh1 C1D 92.2(2) . . ?
C1B Rh1 Au1 90.69(19) . . ?
C1B Rh1 C1D 178.2(2) . . ?
C1C Rh1 Au1 95.59(19) . . ?
C1C Rh1 C1B 86.3(2) . . ?
C1C Rh1 C1D 92.4(2) . . ?
C1D Rh1 Au1 90.63(18) . . ?
C3A C2A N1A 117.2(7) . . ?
C7A C2A N1A 117.6(7) . . ?
C7A C2A C3A 125.1(7) . . ?
C3B C2B N1B 116.8(7) . . ?
C3B C2B C7B 124.8(7) . . ?
C7B C2B N1B 118.3(7) . . ?
C3C C2C N1C 117.3(6) . . ?
C3C C2C C7C 124.9(6) . . ?
C7C C2C N1C 117.8(6) . . ?
C3D C2D N1D 117.8(6) . . ?
C3D C2D C7D 124.1(6) . . ?
C7D C2D N1D 118.2(5) . . ?
C2A C3A C4A 115.1(9) . . ?
C2A C3A C8A 123.4(7) . . ?
C4A C3A C8A 121.5(9) . . ?
C2B C3B C4B 116.7(9) . . ?
C2B C3B C8B 124.0(8) . . ?
C4B C3B C8B 119.3(10) . . ?
C2C C3C C4C 117.2(6) . . ?
C2C C3C C8C 122.6(6) . . ?
C4C C3C C8C 120.2(7) . . ?
C2D C3D C8D 120.8(6) . . ?
C4D C3D C2D 116.9(6) . . ?
C4D C3D C8D 122.3(6) . . ?
C3A C4A H4A 119.6 . . ?
C5A C4A C3A 120.9(13) . . ?
C5A C4A H4A 119.6 . . ?
C3B C4B H4B 120.9 . . ?
C5B C4B C3B 118.2(11) . . ?
C5B C4B H4B 120.9 . . ?
C3C C4C H4C 120.0 . . ?
C5C C4C C3C 119.9(7) . . ?
C5C C4C H4C 120.0 . . ?
C3D C4D H4D 119.6 . . ?
C5D C4D C3D 120.8(7) . . ?
C5D C4D H4D 119.6 . . ?
C4A C5A H5A 118.8 . . ?
C4A C5A C6A 122.3(13) . . ?
C6A C5A H5A 118.8 . . ?
C4B C5B H5B 118.2 . . ?
C4B C5B C6B 123.6(12) . . ?
C6B C5B H5B 118.2 . . ?
C4C C5C H5C 119.6 . . ?
C6C C5C C4C 120.9(6) . . ?
C6C C5C H5C 119.6 . . ?
C4D C5D H5D 119.1 . . ?
C4D C5D C6D 121.7(7) . . ?
C6D C5D H5D 119.1 . . ?
C5A C6A H6A 119.9 . . ?
C5A C6A C7A 120.2(13) . . ?
C7A C6A H6A 119.9 . . ?
C5B C6B H6B 119.8 . . ?
C5B C6B C7B 120.5(10) . . ?
C7B C6B H6B 119.8 . . ?
C5C C6C H6C 119.1 . . ?
C5C C6C C7C 121.8(7) . . ?
C7C C6C H6C 119.1 . . ?
C5D C6D H6D 120.0 . . ?
C5D C6D C7D 120.1(7) . . ?
C7D C6D H6D 120.0 . . ?
C2A C7A C6A 116.3(10) . . ?
C2A C7A C9A 120.5(7) . . ?
C6A C7A C9A 123.1(10) . . ?
C2B C7B C6B 116.2(9) . . ?
C2B C7B C9B 121.7(7) . . ?
C6B C7B C9B 122.0(8) . . ?
C2C C7C C9C 121.5(5) . . ?
C6C C7C C2C 115.3(7) . . ?
C6C C7C C9C 123.2(7) . . ?
C2D C7D C6D 116.4(6) . . ?
C2D C7D C9D 121.3(6) . . ?
C6D C7D C9D 122.4(6) . . ?
C3A C8A H8AA 109.5 . . ?
C3A C8A H8AB 109.5 . . ?
C3A C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C3B C8B H8BA 109.5 . . ?
C3B C8B H8BB 109.5 . . ?
C3B C8B H8BC 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C3C C8C H8CA 109.5 . . ?
C3C C8C H8CB 109.5 . . ?
C3C C8C H8CC 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
C3D C8D H8DA 109.5 . . ?
C3D C8D H8DB 109.5 . . ?
C3D C8D H8DC 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
C7A C9A H9AA 109.5 . . ?
C7A C9A H9AB 109.5 . . ?
C7A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C7B C9B H9BA 109.5 . . ?
C7B C9B H9BB 109.5 . . ?
C7B C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C7C C9C H9CA 109.5 . . ?
C7C C9C H9CB 109.5 . . ?
C7C C9C H9CC 109.5 . . ?
H9CA C9C H9CB 109.5 . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?
C7D C9D H9DA 109.5 . . ?
C7D C9D H9DB 109.5 . . ?
C7D C9D H9DC 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?
N11 C11 Au1 178.6(7) . . ?
C21 Au2 C21 180.0 . 2_666 ?
N21 C21 Au2 171.5(19) . . ?

_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 1.160
_oxdiff_exptl_absorpt_empirical_full_min 0.891
