#------------------------------------------------------------------------------
#$Date: 2023-05-16 02:05:49 +0300 (Tue, 16 May 2023) $
#$Revision: 283796 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/30/7713045.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_7713045
loop_
_publ_author_name
'Zapf, Ludwig'
'Radius, Udo'
'Finze, Maik'
_publ_section_title
;
 Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating
 Perfluoroalkylphosphorane Moieties
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01249B
_journal_year                    2023
_chemical_formula_moiety         'C26 H28 Au2 F34 N4 P4'
_chemical_formula_sum            'C26 H28 Au2 F34 N4 P4'
_chemical_formula_weight         1560.34
_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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-03-30 deposited with the CCDC.	2023-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                108.414(2)
_cell_angle_beta                 102.734(2)
_cell_angle_gamma                110.562(2)
_cell_formula_units_Z            2
_cell_length_a                   11.5040(2)
_cell_length_b                   14.8392(3)
_cell_length_c                   15.2026(3)
_cell_measurement_reflns_used    34221
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.2440
_cell_measurement_theta_min      1.9450
_cell_volume                     2139.09(10)
_computing_cell_refinement       'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_molecular_graphics    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.832
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.832
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            48999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.832
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.859
_diffrn_reflns_theta_min         1.944
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    7.179
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.320
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.120a (Rigaku Oxford Diffraction, 2021)
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            'clear colourless'
_exptl_crystal_density_diffrn    2.423
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.007
_refine_diff_density_min         -1.398
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         11227
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0206P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0567
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9806
_reflns_number_total             11227
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01249b2.cif
_cod_data_source_block           6
_cod_original_cell_volume        2139.09(8)
_cod_database_code               7713045
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.247
_shelx_estimated_absorpt_t_max   0.506
_oxdiff_exptl_absorpt_empirical_full_min 0.798
_oxdiff_exptl_absorpt_empirical_full_max 1.469
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
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
Au01 Au 0.76700(2) 0.71424(2) 0.46968(2) 0.01099(3) Uani 1 1 d . . . . .
N1 N 0.5311(2) 0.50361(19) 0.39115(19) 0.0149(5) Uani 1 1 d . . . . .
F1 F 1.06611(18) 0.67200(15) 0.51991(14) 0.0245(4) Uani 1 1 d . . . . .
Au02 Au 0.67158(2) 0.38548(2) 0.12619(2) 0.01863(4) Uani 1 1 d . . . . .
N2 N 1.0600(2) 0.85668(18) 0.63060(18) 0.0113(5) Uani 1 1 d . . . . .
F2 F 1.12492(18) 0.58386(15) 0.59260(15) 0.0239(4) Uani 1 1 d . . . . .
P003 P 1.03663(7) 0.83068(6) 0.73728(5) 0.01149(14) Uani 1 1 d . . . . .
N3 N 1.0298(2) 0.86801(19) 0.48897(19) 0.0145(5) Uani 1 1 d . . . . .
F3 F 1.24825(16) 0.75332(15) 0.65154(15) 0.0247(4) Uani 1 1 d . . . . .
P004 P 0.43687(7) 0.71314(6) 0.32261(6) 0.01144(14) Uani 1 1 d . . . . .
P005 P 0.87474(7) 0.52222(6) 0.16112(6) 0.01572(15) Uani 1 1 d . . . . .
P006 P 0.47302(8) 0.23960(7) 0.08205(6) 0.02241(17) Uani 1 1 d . . . . .
F007 F 0.87661(15) 0.77465(13) 0.68129(12) 0.0136(3) Uani 1 1 d . . . . .
F008 F 0.59659(14) 0.78504(12) 0.37335(12) 0.0119(3) Uani 1 1 d . . . . .
F009 F 0.27466(15) 0.64201(13) 0.26935(13) 0.0154(3) Uani 1 1 d . . . . .
F00A F 0.32946(15) 0.67774(13) 0.45903(13) 0.0175(4) Uani 1 1 d . . . . .
F00B F 0.92195(16) 0.69076(13) 0.81247(13) 0.0187(4) Uani 1 1 d . . . . .
F00C F 0.91847(16) 0.61060(13) 0.62529(14) 0.0198(4) Uani 1 1 d . . . . .
F00D F 0.51131(16) 0.85376(13) 0.24053(13) 0.0175(4) Uani 1 1 d . . . . .
F00E F 0.36974(17) 0.53170(13) 0.15617(14) 0.0220(4) Uani 1 1 d . . . . .
F00F F 0.61268(16) 0.92313(13) 0.55244(13) 0.0180(4) Uani 1 1 d . . . . .
F00G F 1.19770(15) 0.88767(13) 0.79725(13) 0.0153(3) Uani 1 1 d . . . . .
F00H F 0.47643(17) 0.86481(14) 0.62085(14) 0.0214(4) Uani 1 1 d . . . . .
F00I F 0.33176(16) 0.81700(14) 0.44104(14) 0.0185(4) Uani 1 1 d . . . . .
F00K F 1.10353(17) 0.67481(14) 0.75364(13) 0.0196(4) Uani 1 1 d . . . . .
F00L F 0.58744(16) 0.78141(13) 0.57392(13) 0.0189(4) Uani 1 1 d . . . . .
F00O F 1.19482(18) 0.79198(16) 0.93761(14) 0.0269(4) Uani 1 1 d . . . . .
F00P F 1.08758(16) 1.01386(13) 0.89805(13) 0.0195(4) Uani 1 1 d . . . . .
F00Q F 0.37450(16) 0.66177(14) 0.11936(13) 0.0209(4) Uani 1 1 d . . . . .
F00R F 0.49325(16) 0.92340(13) 0.38156(13) 0.0174(3) Uani 1 1 d . . . . .
F00S F 0.87246(16) 0.95810(14) 0.66424(13) 0.0196(4) Uani 1 1 d . . . . .
F00T F 0.91774(16) 0.84084(14) 0.87654(13) 0.0188(4) Uani 1 1 d . . . . .
F00U F 0.81926(17) 0.93540(15) 0.78583(15) 0.0253(4) Uani 1 1 d . . . . .
F00V F 1.13773(16) 1.04365(13) 0.77795(14) 0.0187(4) Uani 1 1 d . . . . .
F00W F 0.95139(18) 1.09207(14) 0.80758(15) 0.0249(4) Uani 1 1 d . . . . .
F00X F 0.63695(17) 0.61606(15) 0.22626(14) 0.0233(4) Uani 1 1 d . . . . .
F00Y F 0.22402(17) 0.83697(16) 0.29129(16) 0.0289(4) Uani 1 1 d . . . . .
F00Z F 0.22734(18) 0.74964(15) 0.15035(15) 0.0289(4) Uani 1 1 d . . . . .
F010 F 0.54707(18) 0.59921(16) 0.07793(14) 0.0271(4) Uani 1 1 d . . . . .
F011 F 0.65694(17) 0.75506(15) 0.20147(15) 0.0243(4) Uani 1 1 d . . . . .
F012 F 1.04741(19) 0.78864(16) 1.00314(15) 0.0287(4) Uani 1 1 d . . . . .
F013 F 0.33330(17) 0.92055(15) 0.22095(16) 0.0277(4) Uani 1 1 d . . . . .
F014 F 1.17627(19) 0.93440(15) 1.00378(15) 0.0298(4) Uani 1 1 d . . . . .
N015 N 0.4552(2) 0.60589(18) 0.35196(18) 0.0122(5) Uani 1 1 d . . . . .
C019 C 0.5710(3) 0.6028(2) 0.3970(2) 0.0128(5) Uani 1 1 d . . . . .
C01A C 0.3463(3) 0.5070(2) 0.3210(2) 0.0158(6) Uani 1 1 d . . . . .
H01A H 0.254926 0.487959 0.288731 0.019 Uiso 1 1 calc R U . . .
C01B C 0.6211(3) 0.4603(2) 0.4218(3) 0.0201(6) Uani 1 1 d . . . . .
H01B H 0.641594 0.426038 0.364794 0.030 Uiso 1 1 calc R U . . .
H01C H 0.577879 0.407743 0.444999 0.030 Uiso 1 1 calc R U . . .
H01D H 0.704213 0.518329 0.476029 0.030 Uiso 1 1 calc R U . . .
C01C C 0.3936(3) 0.4437(2) 0.3450(2) 0.0172(6) Uani 1 1 d . . . . .
H01E H 0.342695 0.371782 0.332697 0.021 Uiso 1 1 calc R U . . .
C01D C 0.9734(3) 0.5991(2) 0.2931(2) 0.0205(6) Uani 1 1 d . . . . .
H01F H 1.059249 0.654560 0.303065 0.031 Uiso 1 1 calc R U . . .
H01G H 0.989337 0.552013 0.321882 0.031 Uiso 1 1 calc R U . . .
H01H H 0.925181 0.632346 0.325979 0.031 Uiso 1 1 calc R U . . .
C01E C 0.9642(3) 0.8214(2) 0.5384(2) 0.0129(5) Uani 1 1 d . . . . .
C01F C 1.1842(3) 0.9234(2) 0.6333(2) 0.0160(6) Uani 1 1 d . . . . .
H01J H 1.267551 0.957534 0.687558 0.019 Uiso 1 1 calc R U . . .
C01G C 0.4065(3) 0.7642(2) 0.4477(2) 0.0134(5) Uani 1 1 d . . . . .
C01H C 1.1648(3) 0.9303(2) 0.5463(2) 0.0169(6) Uani 1 1 d . . . . .
H01K H 1.230989 0.970352 0.527325 0.020 Uiso 1 1 calc R U . . .
C01I C 0.5234(3) 0.8350(2) 0.5498(2) 0.0156(6) Uani 1 1 d . . . . .
C01J C 0.9775(3) 0.4721(2) 0.1077(2) 0.0218(6) Uani 1 1 d . . . . .
H01L H 0.928462 0.428108 0.035706 0.033 Uiso 1 1 calc R U . . .
H01M H 0.999673 0.428916 0.139231 0.033 Uiso 1 1 calc R U . . .
H01N H 1.060103 0.532148 0.119256 0.033 Uiso 1 1 calc R U . . .
C01K C 0.4319(3) 0.8331(2) 0.2939(2) 0.0149(6) Uani 1 1 d . . . . .
C01L C 0.4409(3) 0.6401(2) 0.1902(2) 0.0173(6) Uani 1 1 d . . . . .
C01M C 0.3010(3) 0.8340(2) 0.2380(2) 0.0189(6) Uani 1 1 d . . . . .
C01N C 1.0435(3) 0.6945(2) 0.6782(2) 0.0148(6) Uani 1 1 d . . . . .
C01O C 1.1219(3) 0.6775(2) 0.6090(2) 0.0191(6) Uani 1 1 d . . . . .
C01P C 0.9990(3) 0.7986(2) 0.8489(2) 0.0141(6) Uani 1 1 d . . . . .
C01Q C 0.8674(3) 0.6174(3) 0.1119(3) 0.0232(7) Uani 1 1 d . . . . .
H01O H 0.813226 0.579330 0.040214 0.035 Uiso 1 1 calc R U . . .
H01P H 0.958142 0.666284 0.122648 0.035 Uiso 1 1 calc R U . . .
H01Q H 0.826944 0.658103 0.146340 0.035 Uiso 1 1 calc R U . . .
C01R C 0.5734(3) 0.6541(2) 0.1747(2) 0.0200(6) Uani 1 1 d . . . . .
C01S C 0.9181(3) 0.9883(2) 0.7626(2) 0.0180(6) Uani 1 1 d . . . . .
C01T C 0.9670(3) 0.8587(3) 0.3898(2) 0.0202(6) Uani 1 1 d . . . . .
H01R H 1.017545 0.842069 0.348386 0.030 Uiso 1 1 calc R U . . .
H01S H 0.966347 0.926228 0.395789 0.030 Uiso 1 1 calc R U . . .
H01T H 0.874848 0.801531 0.358719 0.030 Uiso 1 1 calc R U . . .
C01U C 1.0438(3) 0.9724(2) 0.7962(2) 0.0144(6) Uani 1 1 d . . . . .
C01V C 1.1075(3) 0.8297(2) 0.9492(2) 0.0190(6) Uani 1 1 d . . . . .
C01W C 0.4429(3) 0.1302(3) -0.0297(3) 0.0274(7) Uani 1 1 d . . . . .
H01U H 0.360177 0.067855 -0.045379 0.041 Uiso 1 1 calc R U . . .
H01V H 0.517968 0.112719 -0.019072 0.041 Uiso 1 1 calc R U . . .
H01W H 0.434286 0.150438 -0.085302 0.041 Uiso 1 1 calc R U . . .
C01X C 0.3281(3) 0.2634(3) 0.0563(3) 0.0333(8) Uani 1 1 d . . . . .
H01X H 0.320269 0.283903 0.000740 0.050 Uiso 1 1 calc R U . . .
H01Y H 0.337954 0.321010 0.115817 0.050 Uiso 1 1 calc R U . . .
H01Z H 0.247459 0.198293 0.038240 0.050 Uiso 1 1 calc R U . . .
C01Y C 0.4641(4) 0.1850(3) 0.1725(3) 0.0450(11) Uani 1 1 d . . . . .
H010 H 0.377611 0.121913 0.146143 0.067 Uiso 1 1 calc R U . . .
H011 H 0.473387 0.238691 0.234740 0.067 Uiso 1 1 calc R U . . .
H012 H 0.536430 0.164934 0.185647 0.067 Uiso 1 1 calc R U . . .
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
C01E Au01 C019 177.79(11) . . ?
C019 N1 C01C 111.6(2) . . ?
C019 N1 C01B 124.8(2) . . ?
C01C N1 C01B 123.4(2) . . ?
P006 Au02 P005 175.21(3) . . ?
C01E N2 C01F 108.2(2) . . ?
C01E N2 P003 128.19(18) . . ?
C01F N2 P003 123.49(19) . . ?
F007 P003 F00G 178.15(10) . . ?
F007 P003 N2 90.73(9) . . ?
F00G P003 N2 91.04(9) . . ?
F007 P003 C01U 91.80(10) . . ?
F00G P003 C01U 87.72(10) . . ?
N2 P003 C01U 88.19(11) . . ?
F007 P003 C01N 92.04(10) . . ?
F00G P003 C01N 88.51(10) . . ?
N2 P003 C01N 89.46(11) . . ?
C01U P003 C01N 175.52(12) . . ?
F007 P003 C01P 85.73(10) . . ?
F00G P003 C01P 92.49(10) . . ?
N2 P003 C01P 176.46(11) . . ?
C01U P003 C01P 91.77(12) . . ?
C01N P003 C01P 90.82(12) . . ?
C01E N3 C01H 111.2(2) . . ?
C01E N3 C01T 125.0(2) . . ?
C01H N3 C01T 123.7(2) . . ?
F008 P004 F009 178.45(9) . . ?
F008 P004 N015 89.96(9) . . ?
F009 P004 N015 91.46(9) . . ?
F008 P004 C01G 94.71(10) . . ?
F009 P004 C01G 85.96(10) . . ?
N015 P004 C01G 88.23(11) . . ?
F008 P004 C01K 85.86(10) . . ?
F009 P004 C01K 92.71(10) . . ?
N015 P004 C01K 175.74(11) . . ?
C01G P004 C01K 92.95(12) . . ?
F008 P004 C01L 93.46(11) . . ?
F009 P004 C01L 85.99(11) . . ?
N015 P004 C01L 87.30(12) . . ?
C01G P004 C01L 170.68(12) . . ?
C01K P004 C01L 92.10(12) . . ?
C01D P005 C01J 105.43(15) . . ?
C01D P005 C01Q 106.26(15) . . ?
C01J P005 C01Q 103.86(15) . . ?
C01D P005 Au02 113.30(10) . . ?
C01J P005 Au02 111.35(10) . . ?
C01Q P005 Au02 115.71(10) . . ?
C01W P006 C01Y 104.32(19) . . ?
C01W P006 C01X 106.12(17) . . ?
C01Y P006 C01X 105.5(2) . . ?
C01W P006 Au02 110.75(11) . . ?
C01Y P006 Au02 115.41(12) . . ?
C01X P006 Au02 113.90(12) . . ?
C019 N015 C01A 108.7(2) . . ?
C019 N015 P004 128.67(18) . . ?
C01A N015 P004 122.42(18) . . ?
N1 C019 N015 105.3(2) . . ?
N1 C019 Au01 121.10(19) . . ?
N015 C019 Au01 133.5(2) . . ?
C01C C01A N015 108.0(2) . . ?
C01C C01A H01A 126.0 . . ?
N015 C01A H01A 126.0 . . ?
N1 C01B H01B 109.5 . . ?
N1 C01B H01C 109.5 . . ?
H01B C01B H01C 109.5 . . ?
N1 C01B H01D 109.5 . . ?
H01B C01B H01D 109.5 . . ?
H01C C01B H01D 109.5 . . ?
C01A C01C N1 106.5(2) . . ?
C01A C01C H01E 126.8 . . ?
N1 C01C H01E 126.8 . . ?
P005 C01D H01F 109.5 . . ?
P005 C01D H01G 109.5 . . ?
H01F C01D H01G 109.5 . . ?
P005 C01D H01H 109.5 . . ?
H01F C01D H01H 109.5 . . ?
H01G C01D H01H 109.5 . . ?
N3 C01E N2 105.5(2) . . ?
N3 C01E Au01 120.8(2) . . ?
N2 C01E Au01 133.51(19) . . ?
C01H C01F N2 108.2(2) . . ?
C01H C01F H01J 125.9 . . ?
N2 C01F H01J 125.9 . . ?
F00I C01G F00A 104.8(2) . . ?
F00I C01G C01I 105.8(2) . . ?
F00A C01G C01I 104.1(2) . . ?
F00I C01G P004 110.39(19) . . ?
F00A C01G P004 108.55(18) . . ?
C01I C01G P004 121.83(19) . . ?
C01F C01H N3 106.8(2) . . ?
C01F C01H H01K 126.6 . . ?
N3 C01H H01K 126.6 . . ?
F00F C01I F00H 107.6(2) . . ?
F00F C01I F00L 108.0(2) . . ?
F00H C01I F00L 107.3(2) . . ?
F00F C01I C01G 113.0(2) . . ?
F00H C01I C01G 109.7(2) . . ?
F00L C01I C01G 110.9(2) . . ?
P005 C01J H01L 109.5 . . ?
P005 C01J H01M 109.5 . . ?
H01L C01J H01M 109.5 . . ?
P005 C01J H01N 109.5 . . ?
H01L C01J H01N 109.5 . . ?
H01M C01J H01N 109.5 . . ?
F00R C01K F00D 104.2(2) . . ?
F00R C01K C01M 104.8(2) . . ?
F00D C01K C01M 104.5(2) . . ?
F00R C01K P004 108.75(19) . . ?
F00D C01K P004 108.45(18) . . ?
C01M C01K P004 124.35(19) . . ?
F00Q C01L F00E 103.9(2) . . ?
F00Q C01L C01R 104.9(2) . . ?
F00E C01L C01R 103.5(2) . . ?
F00Q C01L P004 111.50(19) . . ?
F00E C01L P004 109.37(19) . . ?
C01R C01L P004 122.1(2) . . ?
F00Z C01M F00Y 107.5(2) . . ?
F00Z C01M F013 107.5(3) . . ?
F00Y C01M F013 107.4(2) . . ?
F00Z C01M C01K 112.8(2) . . ?
F00Y C01M C01K 112.2(3) . . ?
F013 C01M C01K 109.2(2) . . ?
F00C C01N F00K 106.6(2) . . ?
F00C C01N C01O 104.3(2) . . ?
F00K C01N C01O 101.7(2) . . ?
F00C C01N P003 111.81(18) . . ?
F00K C01N P003 108.97(19) . . ?
C01O C01N P003 122.19(19) . . ?
F1 C01O F3 109.2(2) . . ?
F1 C01O F2 106.5(2) . . ?
F3 C01O F2 107.2(2) . . ?
F1 C01O C01N 113.6(2) . . ?
F3 C01O C01N 111.4(3) . . ?
F2 C01O C01N 108.6(2) . . ?
F00T C01P F00B 103.9(2) . . ?
F00T C01P C01V 104.4(2) . . ?
F00B C01P C01V 104.8(2) . . ?
F00T C01P P003 108.69(18) . . ?
F00B C01P P003 108.46(19) . . ?
C01V C01P P003 124.79(19) . . ?
P005 C01Q H01O 109.5 . . ?
P005 C01Q H01P 109.5 . . ?
H01O C01Q H01P 109.5 . . ?
P005 C01Q H01Q 109.5 . . ?
H01O C01Q H01Q 109.5 . . ?
H01P C01Q H01Q 109.5 . . ?
F011 C01R F00X 108.0(2) . . ?
F011 C01R F010 107.6(2) . . ?
F00X C01R F010 107.4(2) . . ?
F011 C01R C01L 113.2(3) . . ?
F00X C01R C01L 111.1(2) . . ?
F010 C01R C01L 109.4(2) . . ?
F00U C01S F00S 108.4(2) . . ?
F00U C01S F00W 107.8(2) . . ?
F00S C01S F00W 107.6(2) . . ?
F00U C01S C01U 113.1(2) . . ?
F00S C01S C01U 110.9(2) . . ?
F00W C01S C01U 108.8(2) . . ?
N3 C01T H01R 109.5 . . ?
N3 C01T H01S 109.5 . . ?
H01R C01T H01S 109.5 . . ?
N3 C01T H01T 109.5 . . ?
H01R C01T H01T 109.5 . . ?
H01S C01T H01T 109.5 . . ?
F00P C01U F00V 104.1(2) . . ?
F00P C01U C01S 105.6(2) . . ?
F00V C01U C01S 103.6(2) . . ?
F00P C01U P003 111.88(18) . . ?
F00V C01U P003 109.72(18) . . ?
C01S C01U P003 120.4(2) . . ?
F014 C01V F00O 107.6(2) . . ?
F014 C01V F012 107.2(3) . . ?
F00O C01V F012 106.9(2) . . ?
F014 C01V C01P 112.8(2) . . ?
F00O C01V C01P 113.3(3) . . ?
F012 C01V C01P 108.7(2) . . ?
P006 C01W H01U 109.5 . . ?
P006 C01W H01V 109.5 . . ?
H01U C01W H01V 109.5 . . ?
P006 C01W H01W 109.5 . . ?
H01U C01W H01W 109.5 . . ?
H01V C01W H01W 109.5 . . ?
P006 C01X H01X 109.5 . . ?
P006 C01X H01Y 109.5 . . ?
H01X C01X H01Y 109.5 . . ?
P006 C01X H01Z 109.5 . . ?
H01X C01X H01Z 109.5 . . ?
H01Y C01X H01Z 109.5 . . ?
P006 C01Y H010 109.5 . . ?
P006 C01Y H011 109.5 . . ?
H010 C01Y H011 109.5 . . ?
P006 C01Y H012 109.5 . . ?
H010 C01Y H012 109.5 . . ?
H011 C01Y H012 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
Au01 C01E 2.034(3) . ?
Au01 C019 2.042(3) . ?
N1 C019 1.345(4) . ?
N1 C01C 1.383(4) . ?
N1 C01B 1.465(3) . ?
F1 C01O 1.328(4) . ?
Au02 P006 2.2994(8) . ?
Au02 P005 2.3027(7) . ?
N2 C01E 1.380(4) . ?
N2 C01F 1.407(3) . ?
N2 P003 1.835(2) . ?
F2 C01O 1.347(3) . ?
P003 F007 1.6098(16) . ?
P003 F00G 1.6271(16) . ?
P003 C01U 1.972(3) . ?
P003 C01N 1.973(3) . ?
P003 C01P 1.997(3) . ?
N3 C01E 1.350(3) . ?
N3 C01H 1.383(4) . ?
N3 C01T 1.460(4) . ?
F3 C01O 1.332(3) . ?
P004 F008 1.6086(16) . ?
P004 F009 1.6317(16) . ?
P004 N015 1.849(2) . ?
P004 C01G 1.970(3) . ?
P004 C01K 1.979(3) . ?
P004 C01L 1.982(3) . ?
P005 C01D 1.804(3) . ?
P005 C01J 1.808(3) . ?
P005 C01Q 1.812(3) . ?
P006 C01W 1.801(4) . ?
P006 C01Y 1.806(4) . ?
P006 C01X 1.809(4) . ?
F00A C01G 1.368(3) . ?
F00B C01P 1.371(3) . ?
F00C C01N 1.366(3) . ?
F00D C01K 1.369(3) . ?
F00E C01L 1.374(3) . ?
F00F C01I 1.331(3) . ?
F00H C01I 1.333(3) . ?
F00I C01G 1.359(3) . ?
F00K C01N 1.372(3) . ?
F00L C01I 1.337(3) . ?
F00O C01V 1.328(4) . ?
F00P C01U 1.366(3) . ?
F00Q C01L 1.370(3) . ?
F00R C01K 1.364(3) . ?
F00S C01S 1.334(4) . ?
F00T C01P 1.365(3) . ?
F00U C01S 1.326(3) . ?
F00V C01U 1.371(3) . ?
F00W C01S 1.338(3) . ?
F00X C01R 1.336(4) . ?
F00Y C01M 1.329(4) . ?
F00Z C01M 1.328(4) . ?
F010 C01R 1.339(4) . ?
F011 C01R 1.328(4) . ?
F012 C01V 1.338(3) . ?
F013 C01M 1.332(3) . ?
F014 C01V 1.327(4) . ?
N015 C019 1.381(3) . ?
N015 C01A 1.399(3) . ?
C01A C01C 1.341(4) . ?
C01A H01A 0.9500 . ?
C01B H01B 0.9800 . ?
C01B H01C 0.9800 . ?
C01B H01D 0.9800 . ?
C01C H01E 0.9500 . ?
C01D H01F 0.9800 . ?
C01D H01G 0.9800 . ?
C01D H01H 0.9800 . ?
C01F C01H 1.335(4) . ?
C01F H01J 0.9500 . ?
C01G C01I 1.542(4) . ?
C01H H01K 0.9500 . ?
C01J H01L 0.9800 . ?
C01J H01M 0.9800 . ?
C01J H01N 0.9800 . ?
C01K C01M 1.563(4) . ?
C01L C01R 1.545(4) . ?
C01N C01O 1.547(4) . ?
C01P C01V 1.551(4) . ?
C01Q H01O 0.9800 . ?
C01Q H01P 0.9800 . ?
C01Q H01Q 0.9800 . ?
C01S C01U 1.549(4) . ?
C01T H01R 0.9800 . ?
C01T H01S 0.9800 . ?
C01T H01T 0.9800 . ?
C01W H01U 0.9800 . ?
C01W H01V 0.9800 . ?
C01W H01W 0.9800 . ?
C01X H01X 0.9800 . ?
C01X H01Y 0.9800 . ?
C01X H01Z 0.9800 . ?
C01Y H010 0.9800 . ?
C01Y H011 0.9800 . ?
C01Y H012 0.9800 . ?
