#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:23:20 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257813 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/93/7059391.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_7059391
loop_
_publ_author_name
'Baron, Marco'
'Dall’Anese, Anna'
'Miolato, Alessandro'
'Cairoli, Maddalena L. C.'
'Di Marco, Valerio'
'Graiff, Claudia'
'Pöthig, Alexander'
'Tubaro, Cristina'
_publ_section_title
;
 New homoleptic gold carbene complexes via Ag--Au transmetalation:
 synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis
 halide sensors
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5343
_journal_page_last               5353
_journal_paper_doi               10.1039/C9NJ05809E
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C32 H51 Au F18 N9 P3'
_chemical_formula_weight         1193.69
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-11-11 deposited with the CCDC.	2020-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                91.277(2)
_cell_angle_beta                 91.719(2)
_cell_angle_gamma                117.298(3)
_cell_formula_units_Z            2
_cell_length_a                   11.0145(2)
_cell_length_b                   11.6955(2)
_cell_length_c                   19.4594(4)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     2224.76(9)
_computing_cell_refinement       'APEX-3 (2015)'
_computing_data_collection       'APEX-3 (2015)'
_computing_data_reduction        'SAINT (2015)'
_computing_molecular_graphics    'Mercury CSD 3.10.1'
_computing_publication_material
'PARST M. Nardelli, J.Appl.Crystallogr.1995,28,659'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32907
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.000
_diffrn_reflns_theta_min         1.961
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.527
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker APEX II SADABS'
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.846
_refine_diff_density_min         -0.741
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.866
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     576
_refine_ls_number_reflns         11789
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.866
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0303
_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)+(0.0425P)²+5.9929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0813
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8824
_reflns_number_total             11789
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj05809e2.cif
_cod_data_source_block           '[AuL32](PF6)3'
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7059387--7059393.cif.

 Adding full bibliography for 7059387--7059393.cif.
;
_cod_original_cell_volume        2224.75(9)
_cod_database_code               7059391
_shelx_shelxl_version_number     2014/7
_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.
;
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8270(3) 0.8335(3) 0.01667(17) 0.0186(6) Uani 1 1 d . . . . .
C2 C 0.6473(4) 0.9041(3) 0.0385(2) 0.0235(7) Uani 1 1 d . . . . .
H2A H 0.5861 0.8933 -0.0007 0.028 Uiso 1 1 calc R U . . .
H2B H 0.7228 0.9904 0.0385 0.028 Uiso 1 1 calc R U . . .
C3 C 0.5705(4) 0.8880(4) 0.1049(2) 0.0282(8) Uani 1 1 d . . . . .
H3A H 0.5328 0.9484 0.1061 0.034 Uiso 1 1 calc R U . . .
H3B H 0.4948 0.8018 0.1046 0.034 Uiso 1 1 calc R U . . .
C4 C 0.6602(5) 0.9099(5) 0.1687(2) 0.0403(10) Uani 1 1 d . . . . .
H4A H 0.7411 0.9923 0.1665 0.048 Uiso 1 1 calc R U . . .
H4B H 0.6896 0.8435 0.1700 0.048 Uiso 1 1 calc R U . . .
C5 C 0.5889(6) 0.9087(5) 0.2343(3) 0.0579(15) Uani 1 1 d . . . . .
H5A H 0.5615 0.9756 0.2339 0.087 Uiso 1 1 calc R U . . .
H5B H 0.6505 0.9229 0.2733 0.087 Uiso 1 1 calc R U . . .
H5C H 0.5097 0.8268 0.2373 0.087 Uiso 1 1 calc R U . . .
C6 C 0.6217(4) 0.6787(3) 0.04033(19) 0.0242(7) Uani 1 1 d . . . . .
H6 H 0.5298 0.6377 0.0505 0.029 Uiso 1 1 calc R U . . .
C7 C 0.7028(4) 0.6216(3) 0.03109(18) 0.0227(7) Uani 1 1 d . . . . .
H7 H 0.6784 0.5345 0.0342 0.027 Uiso 1 1 calc R U . . .
C8 C 0.9510(3) 0.7037(3) 0.00264(18) 0.0209(7) Uani 1 1 d . . . . .
H8A H 0.9760 0.7236 -0.0446 0.025 Uiso 1 1 calc R U . . .
H8B H 0.9331 0.6156 0.0097 0.025 Uiso 1 1 calc R U . . .
C9 C 1.1378(4) 0.7592(4) 0.09532(19) 0.0266(8) Uani 1 1 d . . . . .
H9 H 1.1329 0.6782 0.1001 0.032 Uiso 1 1 calc R U . . .
C10 C 1.2208(4) 0.8683(4) 0.13142(19) 0.0254(8) Uani 1 1 d . . . . .
H10 H 1.2847 0.8769 0.1662 0.031 Uiso 1 1 calc R U . . .
C11 C 0.9939(5) 1.1113(6) 0.2616(3) 0.0586(15) Uani 1 1 d . . . . .
H11A H 0.9880 1.0460 0.2923 0.088 Uiso 1 1 calc R U . . .
H11B H 0.9049 1.1058 0.2538 0.088 Uiso 1 1 calc R U . . .
H11C H 1.0552 1.1946 0.2816 0.088 Uiso 1 1 calc R U . . .
C12 C 1.0471(4) 1.0914(4) 0.1938(2) 0.0321(9) Uani 1 1 d . . . . .
H12A H 1.0484 1.1543 0.1618 0.038 Uiso 1 1 calc R U . . .
H12B H 0.9867 1.0063 0.1741 0.038 Uiso 1 1 calc R U . . .
C13 C 1.1909(4) 1.1053(4) 0.2044(2) 0.0287(8) Uani 1 1 d . . . . .
H13A H 1.2480 1.1875 0.2280 0.034 Uiso 1 1 calc R U . . .
H13B H 1.1869 1.0383 0.2342 0.034 Uiso 1 1 calc R U . . .
C14 C 1.2586(4) 1.0973(4) 0.1388(2) 0.0264(8) Uani 1 1 d . . . . .
H14A H 1.2521 1.1558 0.1061 0.032 Uiso 1 1 calc R U . . .
H14B H 1.3548 1.1241 0.1492 0.032 Uiso 1 1 calc R U . . .
C15 C 1.0962(3) 0.9178(3) 0.05734(17) 0.0185(6) Uani 1 1 d . . . . .
N1 N 0.7005(3) 0.8093(3) 0.03193(15) 0.0195(6) Uani 1 1 d . . . . .
N2 N 0.8291(3) 0.7188(3) 0.01618(15) 0.0189(6) Uani 1 1 d . . . . .
N3 N 1.0615(3) 0.7916(3) 0.04975(15) 0.0200(6) Uani 1 1 d . . . . .
N4 N 1.1940(3) 0.9653(3) 0.10755(15) 0.0217(6) Uani 1 1 d . . . . .
Au1 Au 1.0000 1.0000 0.0000 0.01446(5) Uani 1 2 d S . P . .
C16 C 0.8005(3) 0.4367(3) 0.52338(17) 0.0200(7) Uani 1 1 d . . . . .
C17 C 0.7922(4) 0.6224(4) 0.5894(2) 0.0319(9) Uani 1 1 d . . . . .
H17A H 0.8895 0.6545 0.5993 0.038 Uiso 1 1 calc R U . . .
H17B H 0.7494 0.6197 0.6326 0.038 Uiso 1 1 calc R U . . .
C18 C 0.7705(5) 0.7140(5) 0.5428(3) 0.0434(11) Uani 1 1 d . . . . .
H18A H 0.7835 0.7896 0.5700 0.052 Uiso 1 1 calc R U . . .
H18B H 0.6766 0.6724 0.5245 0.052 Uiso 1 1 calc R U . . .
C19 C 0.8641(6) 0.7562(5) 0.4839(3) 0.0576(14) Uani 1 1 d . . . . .
H19A H 0.8497 0.6811 0.4559 0.069 Uiso 1 1 calc R U . . .
H19B H 0.9581 0.7966 0.5019 0.069 Uiso 1 1 calc R U . . .
C20 C 0.8410(8) 0.8513(6) 0.4386(3) 0.081(2) Uani 1 1 d . . . . .
H20A H 0.7537 0.8073 0.4142 0.122 Uiso 1 1 calc R U . . .
H20B H 0.9119 0.8858 0.4062 0.122 Uiso 1 1 calc R U . . .
H20C H 0.8429 0.9203 0.4670 0.122 Uiso 1 1 calc R U . . .
C21 C 0.5979(4) 0.4044(4) 0.5589(2) 0.0350(9) Uani 1 1 d . . . . .
H21 H 0.5306 0.4182 0.5798 0.042 Uiso 1 1 calc R U . . .
C22 C 0.5789(4) 0.2974(4) 0.5243(2) 0.0310(9) Uani 1 1 d . . . . .
H22 H 0.4968 0.2226 0.5167 0.037 Uiso 1 1 calc R U . . .
C23 C 0.7333(4) 0.2293(3) 0.46138(19) 0.0245(7) Uani 1 1 d . . . . .
H23A H 0.6487 0.1544 0.4467 0.029 Uiso 1 1 calc R U . . .
H23B H 0.7888 0.2008 0.4886 0.029 Uiso 1 1 calc R U . . .
C24 C 0.7734(4) 0.2547(4) 0.33301(19) 0.0281(8) Uani 1 1 d . . . . .
H24 H 0.7012 0.1778 0.3161 0.034 Uiso 1 1 calc R U . . .
C25 C 0.8662(4) 0.3475(4) 0.29602(19) 0.0262(8) Uani 1 1 d . . . . .
H25 H 0.8704 0.3469 0.2484 0.031 Uiso 1 1 calc R U . . .
C26 C 0.8692(6) 0.7286(6) 0.2356(3) 0.0687(18) Uani 1 1 d . . . . .
H26A H 0.9439 0.8006 0.2165 0.103 Uiso 1 1 calc R U . . .
H26B H 0.8065 0.7560 0.2541 0.103 Uiso 1 1 calc R U . . .
H26C H 0.8227 0.6628 0.2002 0.103 Uiso 1 1 calc R U . . .
C27 C 0.9239(5) 0.6752(5) 0.2927(3) 0.0433(11) Uani 1 1 d . . . . .
H27A H 0.9684 0.7412 0.3289 0.052 Uiso 1 1 calc R U . . .
H27B H 0.8479 0.6032 0.3123 0.052 Uiso 1 1 calc R U . . .
C28 C 1.0241(4) 0.6311(4) 0.2674(2) 0.0290(8) Uani 1 1 d . . . . .
H28A H 1.1040 0.7050 0.2521 0.035 Uiso 1 1 calc R U . . .
H28B H 0.9824 0.5719 0.2281 0.035 Uiso 1 1 calc R U . . .
C29 C 1.0694(4) 0.5656(4) 0.32108(19) 0.0254(8) Uani 1 1 d . . . . .
H29A H 1.1398 0.5471 0.3028 0.030 Uiso 1 1 calc R U . . .
H29B H 1.1086 0.6234 0.3612 0.030 Uiso 1 1 calc R U . . .
C30 C 0.9183(3) 0.4116(3) 0.40625(17) 0.0190(6) Uani 1 1 d . . . . .
N5 N 0.7354(3) 0.4915(3) 0.55845(16) 0.0260(7) Uani 1 1 d . . . . .
N6 N 0.7043(3) 0.3194(3) 0.50201(16) 0.0228(6) Uani 1 1 d . . . . .
N7 N 0.8067(3) 0.2963(3) 0.40151(15) 0.0204(6) Uani 1 1 d . . . . .
N8 N 0.9546(3) 0.4445(3) 0.34188(15) 0.0213(6) Uani 1 1 d . . . . .
Au2 Au 1.0000 0.5000 0.5000 0.01597(5) Uani 1 2 d S . P . .
F1 F 0.4335(4) 0.1353(3) 0.3669(2) 0.0810(11) Uani 1 1 d . . . . .
F2 F 0.3510(4) 0.0196(3) 0.45864(14) 0.0668(10) Uani 1 1 d . . . . .
F3 F 0.2105(4) 0.0089(4) 0.36921(18) 0.0735(10) Uani 1 1 d . . . . .
F4 F 0.3298(3) -0.0457(3) 0.29799(14) 0.0607(8) Uani 1 1 d . . . . .
F5 F 0.4755(4) -0.0285(4) 0.3863(2) 0.0918(13) Uani 1 1 d . . . . .
F6 F 0.2499(4) -0.1592(3) 0.39076(18) 0.0908(14) Uani 1 1 d . . . . .
P1 P 0.33988(12) -0.01306(11) 0.37784(6) 0.0348(2) Uani 1 1 d . . . . .
F7 F 0.2807(3) 0.6301(2) 0.19785(14) 0.0428(6) Uani 1 1 d . . . . .
F8 F 0.4414(3) 0.5694(3) 0.17137(16) 0.0535(7) Uani 1 1 d . . . . .
F9 F 0.2772(4) 0.3734(3) 0.13678(16) 0.0617(9) Uani 1 1 d . . . . .
F10 F 0.2825(3) 0.5512(3) 0.09166(13) 0.0529(7) Uani 1 1 d . . . . .
F11 F 0.2782(3) 0.4524(3) 0.24371(14) 0.0543(8) Uani 1 1 d . . . . .
F12 F 0.1174(3) 0.4337(3) 0.16437(19) 0.0673(9) Uani 1 1 d . . . . .
P2 P 0.27904(11) 0.50138(10) 0.16784(5) 0.0278(2) Uani 1 1 d . . . . .
F13 F 0.6124(3) 0.3292(2) 0.06196(16) 0.0477(7) Uani 1 1 d . . . . .
F14 F 0.7782(3) 0.4072(3) 0.14592(13) 0.0482(7) Uani 1 1 d . . . . .
F15 F 0.8336(3) 0.2475(3) 0.11930(16) 0.0511(7) Uani 1 1 d . . . . .
F16 F 0.6703(3) 0.1728(2) 0.03523(14) 0.0457(7) Uani 1 1 d . . . . .
F17 F 0.6180(3) 0.1985(2) 0.14393(15) 0.0465(7) Uani 1 1 d . . . . .
F18 F 0.8308(3) 0.3812(2) 0.03804(13) 0.0428(6) Uani 1 1 d . . . . .
P3 P 0.72379(10) 0.28929(9) 0.09089(5) 0.02473(19) Uani 1 1 d . . . . .
C100 C 0.5813(5) 0.4279(5) 0.3318(3) 0.0428(11) Uani 1 1 d . . . . .
C200 C 0.5447(5) 0.3769(6) 0.2613(3) 0.0554(14) Uani 1 1 d . . . . .
H20D H 0.6253 0.4099 0.2350 0.083 Uiso 1 1 calc R U . . .
H20E H 0.4804 0.4026 0.2416 0.083 Uiso 1 1 calc R U . . .
H20F H 0.5042 0.2846 0.2608 0.083 Uiso 1 1 calc R U . . .
N100 N 0.6109(5) 0.4678(5) 0.3866(3) 0.0598(12) 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 N2 106.1(3) . . ?
N1 C1 Au1 132.9(2) . . ?
N2 C1 Au1 120.9(2) . . ?
N1 C2 C3 111.4(3) . . ?
N1 C2 H2A 109.3 . . ?
C3 C2 H2A 109.3 . . ?
N1 C2 H2B 109.3 . . ?
C3 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C4 C3 C2 112.8(3) . . ?
C4 C3 H3A 109.0 . . ?
C2 C3 H3A 109.0 . . ?
C4 C3 H3B 109.0 . . ?
C2 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
C3 C4 C5 113.0(4) . . ?
C3 C4 H4A 109.0 . . ?
C5 C4 H4A 109.0 . . ?
C3 C4 H4B 109.0 . . ?
C5 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 N1 107.5(3) . . ?
C7 C6 H6 126.3 . . ?
N1 C6 H6 126.3 . . ?
C6 C7 N2 105.9(3) . . ?
C6 C7 H7 127.0 . . ?
N2 C7 H7 127.0 . . ?
N2 C8 N3 108.0(3) . . ?
N2 C8 H8A 110.1 . . ?
N3 C8 H8A 110.1 . . ?
N2 C8 H8B 110.1 . . ?
N3 C8 H8B 110.1 . . ?
H8A C8 H8B 108.4 . . ?
C10 C9 N3 106.1(3) . . ?
C10 C9 H9 127.0 . . ?
N3 C9 H9 127.0 . . ?
C9 C10 N4 107.6(3) . . ?
C9 C10 H10 126.2 . . ?
N4 C10 H10 126.2 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C11 C12 C13 110.5(4) . . ?
C11 C12 H12A 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 108.1 . . ?
C14 C13 C12 115.0(3) . . ?
C14 C13 H13A 108.5 . . ?
C12 C13 H13A 108.5 . . ?
C14 C13 H13B 108.5 . . ?
C12 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
N4 C14 C13 111.6(3) . . ?
N4 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
N4 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
N4 C15 N3 106.1(3) . . ?
N4 C15 Au1 132.2(3) . . ?
N3 C15 Au1 121.6(2) . . ?
C1 N1 C6 109.9(3) . . ?
C1 N1 C2 126.7(3) . . ?
C6 N1 C2 123.4(3) . . ?
C1 N2 C7 110.6(3) . . ?
C1 N2 C8 123.5(3) . . ?
C7 N2 C8 126.0(3) . . ?
C15 N3 C9 110.5(3) . . ?
C15 N3 C8 122.8(3) . . ?
C9 N3 C8 126.5(3) . . ?
C15 N4 C10 109.7(3) . . ?
C15 N4 C14 127.1(3) . . ?
C10 N4 C14 123.0(3) . . ?
C1 Au1 C1 180.0 2_775 . ?
C1 Au1 C15 95.88(13) 2_775 . ?
C1 Au1 C15 84.12(13) . . ?
C1 Au1 C15 84.12(13) 2_775 2_775 ?
C1 Au1 C15 95.88(13) . 2_775 ?
C15 Au1 C15 180.0 . 2_775 ?
N6 C16 N5 106.2(3) . . ?
N6 C16 Au2 121.0(3) . . ?
N5 C16 Au2 132.8(3) . . ?
N5 C17 C18 112.3(3) . . ?
N5 C17 H17A 109.1 . . ?
C18 C17 H17A 109.1 . . ?
N5 C17 H17B 109.1 . . ?
C18 C17 H17B 109.1 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 C19 114.1(4) . . ?
C17 C18 H18A 108.7 . . ?
C19 C18 H18A 108.7 . . ?
C17 C18 H18B 108.7 . . ?
C19 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C18 C19 C20 112.6(5) . . ?
C18 C19 H19A 109.1 . . ?
C20 C19 H19A 109.1 . . ?
C18 C19 H19B 109.1 . . ?
C20 C19 H19B 109.1 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 N5 108.0(3) . . ?
C22 C21 H21 126.0 . . ?
N5 C21 H21 126.0 . . ?
C21 C22 N6 106.4(3) . . ?
C21 C22 H22 126.8 . . ?
N6 C22 H22 126.8 . . ?
N6 C23 N7 107.6(3) . . ?
N6 C23 H23A 110.2 . . ?
N7 C23 H23A 110.2 . . ?
N6 C23 H23B 110.2 . . ?
N7 C23 H23B 110.2 . . ?
H23A C23 H23B 108.5 . . ?
C25 C24 N7 106.4(3) . . ?
C25 C24 H24 126.8 . . ?
N7 C24 H24 126.8 . . ?
C24 C25 N8 107.4(3) . . ?
C24 C25 H25 126.3 . . ?
N8 C25 H25 126.3 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C27 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C26 112.4(4) . . ?
C28 C27 H27A 109.1 . . ?
C26 C27 H27A 109.1 . . ?
C28 C27 H27B 109.1 . . ?
C26 C27 H27B 109.1 . . ?
H27A C27 H27B 107.8 . . ?
C27 C28 C29 113.7(3) . . ?
C27 C28 H28A 108.8 . . ?
C29 C28 H28A 108.8 . . ?
C27 C28 H28B 108.8 . . ?
C29 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
N8 C29 C28 111.9(3) . . ?
N8 C29 H29A 109.2 . . ?
C28 C29 H29A 109.2 . . ?
N8 C29 H29B 109.2 . . ?
C28 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
N8 C30 N7 106.6(3) . . ?
N8 C30 Au2 132.7(3) . . ?
N7 C30 Au2 120.7(2) . . ?
C16 N5 C21 108.6(3) . . ?
C16 N5 C17 128.4(3) . . ?
C21 N5 C17 122.9(3) . . ?
C16 N6 C22 110.8(3) . . ?
C16 N6 C23 123.3(3) . . ?
C22 N6 C23 126.0(3) . . ?
C30 N7 C24 110.0(3) . . ?
C30 N7 C23 123.2(3) . . ?
C24 N7 C23 126.8(3) . . ?
C30 N8 C25 109.6(3) . . ?
C30 N8 C29 126.3(3) . . ?
C25 N8 C29 124.0(3) . . ?
C30 Au2 C30 180.0(2) . 2_766 ?
C30 Au2 C16 96.04(13) . 2_766 ?
C30 Au2 C16 83.96(13) 2_766 2_766 ?
C30 Au2 C16 83.96(13) . . ?
C30 Au2 C16 96.05(13) 2_766 . ?
C16 Au2 C16 180.0 2_766 . ?
F6 P1 F3 91.7(2) . . ?
F6 P1 F1 178.2(2) . . ?
F3 P1 F1 89.3(2) . . ?
F6 P1 F4 89.79(19) . . ?
F3 P1 F4 89.44(18) . . ?
F1 P1 F4 91.7(2) . . ?
F6 P1 F5 90.9(3) . . ?
F3 P1 F5 177.4(2) . . ?
F1 P1 F5 88.1(2) . . ?
F4 P1 F5 90.8(2) . . ?
F6 P1 F2 90.13(18) . . ?
F3 P1 F2 91.0(2) . . ?
F1 P1 F2 88.40(18) . . ?
F4 P1 F2 179.5(2) . . ?
F5 P1 F2 88.8(2) . . ?
F12 P2 F8 180.0(2) . . ?
F12 P2 F9 90.30(19) . . ?
F8 P2 F9 89.74(18) . . ?
F12 P2 F7 89.64(17) . . ?
F8 P2 F7 90.32(16) . . ?
F9 P2 F7 179.17(17) . . ?
F12 P2 F11 89.94(19) . . ?
F8 P2 F11 90.04(17) . . ?
F9 P2 F11 90.10(16) . . ?
F7 P2 F11 90.72(15) . . ?
F12 P2 F10 90.97(19) . . ?
F8 P2 F10 89.05(17) . . ?
F9 P2 F10 89.71(16) . . ?
F7 P2 F10 89.46(15) . . ?
F11 P2 F10 179.08(18) . . ?
F15 P3 F16 89.27(16) . . ?
F15 P3 F17 89.68(15) . . ?
F16 P3 F17 90.31(15) . . ?
F15 P3 F13 179.20(17) . . ?
F16 P3 F13 89.99(15) . . ?
F17 P3 F13 90.01(16) . . ?
F15 P3 F14 90.96(17) . . ?
F16 P3 F14 179.30(17) . . ?
F17 P3 F14 90.35(15) . . ?
F13 P3 F14 89.78(16) . . ?
F15 P3 F18 90.17(15) . . ?
F16 P3 F18 90.08(15) . . ?
F17 P3 F18 179.58(18) . . ?
F13 P3 F18 90.15(15) . . ?
F14 P3 F18 89.26(15) . . ?
N100 C100 C200 179.4(5) . . ?
C100 C200 H20D 109.5 . . ?
C100 C200 H20E 109.5 . . ?
H20D C200 H20E 109.5 . . ?
C100 C200 H20F 109.5 . . ?
H20D C200 H20F 109.5 . . ?
H20E C200 H20F 109.5 . . ?
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
C1 N1 1.333(4) . ?
C1 N2 1.352(4) . ?
C1 Au1 2.047(3) . ?
C2 N1 1.478(4) . ?
C2 C3 1.532(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.505(6) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.516(6) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C7 1.353(5) . ?
C6 N1 1.384(4) . ?
C6 H6 0.9300 . ?
C7 N2 1.379(4) . ?
C7 H7 0.9300 . ?
C8 N2 1.462(4) . ?
C8 N3 1.457(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.345(6) . ?
C9 N3 1.378(4) . ?
C9 H9 0.9300 . ?
C10 N4 1.383(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.515(6) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.523(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.520(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 N4 1.478(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 N4 1.337(4) . ?
C15 N3 1.348(4) . ?
C15 Au1 2.051(3) . ?
Au1 C1 2.047(3) 2_775 ?
Au1 C15 2.051(3) 2_775 ?
C16 N6 1.338(4) . ?
C16 N5 1.350(5) . ?
C16 Au2 2.041(3) . ?
C17 N5 1.469(5) . ?
C17 C18 1.514(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.499(7) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.541(8) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.334(6) . ?
C21 N5 1.384(5) . ?
C21 H21 0.9300 . ?
C22 N6 1.370(5) . ?
C22 H22 0.9300 . ?
C23 N6 1.457(5) . ?
C23 N7 1.463(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.342(5) . ?
C24 N7 1.388(4) . ?
C24 H24 0.9300 . ?
C25 N8 1.386(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.525(7) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.507(6) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.510(5) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 N8 1.477(4) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 N8 1.337(4) . ?
C30 N7 1.343(4) . ?
C30 Au2 2.042(3) . ?
Au2 C30 2.042(3) 2_766 ?
Au2 C16 2.041(3) 2_766 ?
F1 P1 1.584(3) . ?
F2 P1 1.598(3) . ?
F3 P1 1.565(3) . ?
F4 P1 1.580(3) . ?
F5 P1 1.589(4) . ?
F6 P1 1.564(3) . ?
F7 P2 1.595(3) . ?
F8 P2 1.587(3) . ?
F9 P2 1.592(3) . ?
F10 P2 1.600(3) . ?
F11 P2 1.594(3) . ?
F12 P2 1.581(3) . ?
F13 P3 1.593(3) . ?
F14 P3 1.596(3) . ?
F15 P3 1.588(3) . ?
F16 P3 1.593(3) . ?
F17 P3 1.593(3) . ?
F18 P3 1.600(3) . ?
C100 N100 1.131(7) . ?
C100 C200 1.453(7) . ?
C200 H20D 0.9600 . ?
C200 H20E 0.9600 . ?
C200 H20F 0.9600 . ?
