#------------------------------------------------------------------------------
#$Date: 2019-04-03 01:09:52 +0300 (Wed, 03 Apr 2019) $
#$Revision: 214450 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/32/7123243.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7123243
loop_
_publ_author_name
'Conejo-Rodríguez, Verónica'
'Peñas-Defrutos, Marconi N.'
'Espinet, Pablo'
_publ_section_title
;
 d8···d10 RhI···AuI Interactions
 in Rh 2,6-Xylylisocyanide Complexes with [Au(CN)2]--: Bond Analysis and
 Crystal Effects
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC01377F
_journal_year                    2019
_chemical_formula_moiety         'C37 H36 Au0.5 N5 Rh, Au C N2, 2(C H Cl3)'
_chemical_formula_sum            'C40 H38 Au1.5 Cl6 N7 Rh'
_chemical_formula_weight         1227.83
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-01-15
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-01-30 deposited with the CCDC.    2019-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                99.423(4)
_cell_angle_beta                 110.298(5)
_cell_angle_gamma                94.397(4)
_cell_formula_units_Z            2
_cell_length_a                   11.7506(7)
_cell_length_b                   13.6103(6)
_cell_length_c                   15.5642(9)
_cell_measurement_reflns_used    2119
_cell_measurement_temperature    179.8(4)
_cell_measurement_theta_max      20.1960
_cell_measurement_theta_min      3.5610
_cell_volume                     2279.0(2)
_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)'
_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_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_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_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_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_description       prism
_exptl_crystal_F_000             1185
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.047
_refine_diff_density_max         1.729
_refine_diff_density_min         -1.270
_refine_diff_density_rms         0.187
_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_restrained_S_all      1.038
_refine_ls_R_factor_all          0.2089
_refine_ls_R_factor_gt           0.0912
_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
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4719
_reflns_number_total             10402
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc01377f2.cif
_cod_data_source_block           3
_cod_original_formula_sum        'C40 H38 Au1.50 Cl6 N7 Rh'
_cod_database_code               7123243
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C38 H36 Au N6 Rh'
_chemical_oxdiff_usercomment     black
_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.
;
_reflns_odcompleteness_completeness 98.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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)
;
_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
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
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 . . .
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'
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
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
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) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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_
_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
