#------------------------------------------------------------------------------
#$Date: 2019-04-03 01:09:52 +0300 (Wed, 03 Apr 2019) $
#$Revision: 214450 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/32/7123246.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_7123246
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, Au0.5 C N'
_chemical_formula_sum            'C38 H36 Au N6 Rh'
_chemical_formula_weight         876.60
_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                96.657(3)
_cell_angle_beta                 102.564(3)
_cell_angle_gamma                109.808(3)
_cell_formula_units_Z            2
_cell_length_a                   11.7657(4)
_cell_length_b                   13.0544(5)
_cell_length_c                   13.1851(5)
_cell_measurement_reflns_used    2858
_cell_measurement_temperature    294
_cell_measurement_theta_max      22.3560
_cell_measurement_theta_min      3.6980
_cell_volume                     1819.62(13)
_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_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_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_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_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_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_description       prism
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.878
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.097
_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_restrained_S_all      1.011
_refine_ls_R_factor_all          0.1309
_refine_ls_R_factor_gt           0.0543
_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
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4370
_reflns_number_total             8305
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc01377f2.cif
_cod_data_source_block           2b
_cod_original_cell_volume        1819.62(12)
_cod_database_code               7123246
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C38 H36 Au N6 Rh'
_chemical_oxdiff_usercomment     'dark green'
_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 98.57
_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 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)
;
_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
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 0.0000 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 . . .
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'
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
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_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) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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_
_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
