#------------------------------------------------------------------------------
#$Date: 2020-02-04 22:01:37 +0200 (Tue, 04 Feb 2020) $
#$Revision: 247576 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/45/7124539.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_7124539
loop_
_publ_author_name
'Rodriguez, Jessica'
'Adet, Nicolas'
'Saffon-Merceron, Nathalie'
'Bourissou, Didier'
_publ_section_title
;
 Au(i)/Au(iii)-Catalyzed C-N coupling.
;
_journal_issue                   1
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              94
_journal_page_last               97
_journal_paper_doi               10.1039/c9cc07666b
_journal_volume                  56
_journal_year                    2019
_chemical_formula_sum            'C37 H48 Au F6 Li2 N2 O8 P S3'
_chemical_formula_weight         1100.77
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-09-27 deposited with the CCDC.	2019-11-18 downloaded from the CCDC.
;
_cell_angle_alpha                102.378(3)
_cell_angle_beta                 104.982(3)
_cell_angle_gamma                109.989(3)
_cell_formula_units_Z            2
_cell_length_a                   9.8911(12)
_cell_length_b                   14.4529(19)
_cell_length_c                   17.441(2)
_cell_measurement_reflns_used    7724
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      23.65
_cell_measurement_theta_min      3.01
_cell_volume                     2133.9(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_av_unetI/netI     0.0992
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            41545
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.874
_diffrn_reflns_theta_min         3.440
_diffrn_source                   'Incoatec microfocus sealed tube'
_exptl_absorpt_coefficient_mu    3.709
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6072
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_description       needle
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.360
_refine_diff_density_min         -1.980
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         9710
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0482
_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)+(0.0384P)²+2.8301P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0998
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6976
_reflns_number_total             9710
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc07666b2.cif
_cod_data_source_block           A2LiOTf
_cod_depositor_comments
'Adding full bibliography for 7124538--7124539.cif.'
_cod_database_code               7124539
_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   0.524
_shelx_estimated_absorpt_t_max   0.930
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
Au1 Au 0.79670(3) 0.80355(2) 0.27815(2) 0.02280(8) Uani 1 1 d . .
P1 P 0.74132(17) 0.83496(12) 0.15579(9) 0.0201(3) Uani 1 1 d . .
S1 S 0.77531(17) 0.76445(12) 0.45280(9) 0.0254(3) Uani 1 1 d . .
S2 S 0.10041(18) 0.55884(13) 0.40259(10) 0.0309(4) Uani 1 1 d . .
S3 S 0.50723(17) 0.42091(12) 0.39118(9) 0.0263(3) Uani 1 1 d . .
F1 F -0.0065(6) 0.6045(4) 0.2693(3) 0.0748(15) Uani 1 1 d . .
F2 F 0.0390(5) 0.4691(4) 0.2429(3) 0.0662(13) Uani 1 1 d . .
F3 F -0.1586(5) 0.4599(4) 0.2738(3) 0.0672(13) Uani 1 1 d . .
F4 F 0.2885(5) 0.2570(3) 0.2697(3) 0.0678(14) Uani 1 1 d . .
F5 F 0.4730(6) 0.3395(3) 0.2344(3) 0.0707(14) Uani 1 1 d . .
F6 F 0.4995(7) 0.2450(4) 0.3106(3) 0.0792(16) Uani 1 1 d . .
O1 O 0.6150(4) 0.6979(3) 0.4038(2) 0.0277(10) Uani 1 1 d . .
O2 O 0.8499(5) 0.7279(3) 0.5152(2) 0.0339(10) Uani 1 1 d . .
O3 O 0.2524(5) 0.6234(3) 0.4089(3) 0.0345(11) Uani 1 1 d . .
O4 O 0.0798(5) 0.4600(3) 0.4150(3) 0.0428(12) Uani 1 1 d . .
O5 O 0.0304(5) 0.6140(4) 0.4444(3) 0.0411(12) Uani 1 1 d . .
O6 O 0.4145(5) 0.4746(3) 0.3660(3) 0.0381(11) Uani 1 1 d . .
O7 O 0.4721(5) 0.3717(3) 0.4509(3) 0.0374(11) Uani 1 1 d . .
O8 O 0.6676(5) 0.4757(4) 0.4076(3) 0.0416(12) Uani 1 1 d . .
N1 N 0.8646(6) 0.7841(4) 0.3920(3) 0.0284(12) Uani 1 1 d D .
H1 H 0.956(2) 0.794(4) 0.416(3) 0.027(18) Uiso 1 1 d D .
N2 N 0.5035(6) 0.6411(4) 0.1756(3) 0.0299(12) Uani 1 1 d . .
Li1 Li 0.4479(12) 0.6116(8) 0.4324(6) 0.026(2) Uani 1 1 d . .
Li2 Li 0.1343(13) 0.4089(9) 0.5074(7) 0.036(3) Uani 1 1 d . .
C1 C 0.5516(6) 0.7392(4) 0.0783(3) 0.0216(13) Uani 1 1 d . .
C2 C 0.4583(7) 0.6540(5) 0.0946(4) 0.0254(13) Uani 1 1 d . .
C3 C 0.3232(7) 0.5806(5) 0.0317(4) 0.0344(16) Uani 1 1 d . .
H3 H 0.262365 0.521729 0.042610 0.041 Uiso 1 1 calc R U
C4 C 0.2730(7) 0.5892(5) -0.0462(4) 0.0351(16) Uani 1 1 d . .
H4 H 0.178673 0.537459 -0.088315 0.042 Uiso 1 1 calc R U
C5 C 0.3612(7) 0.6739(5) -0.0625(4) 0.0315(15) Uani 1 1 d . .
H5 H 0.327387 0.681548 -0.116056 0.038 Uiso 1 1 calc R U
C6 C 0.4978(7) 0.7474(5) -0.0017(4) 0.0275(14) Uani 1 1 d . .
H6 H 0.557786 0.805394 -0.013849 0.033 Uiso 1 1 calc R U
C7 C 0.5320(10) 0.5505(6) 0.1736(5) 0.060(2) Uani 1 1 d . .
H7A H 0.436254 0.487803 0.139877 0.090 Uiso 1 1 calc R U
H7B H 0.568862 0.549402 0.231135 0.090 Uiso 1 1 calc R U
H7C H 0.610344 0.551974 0.148575 0.090 Uiso 1 1 calc R U
C8 C 0.3896(8) 0.6423(8) 0.2154(4) 0.068(3) Uani 1 1 d . .
H8A H 0.369005 0.703808 0.214767 0.103 Uiso 1 1 calc R U
H8B H 0.430362 0.644795 0.273744 0.103 Uiso 1 1 calc R U
H8C H 0.293665 0.578898 0.184295 0.103 Uiso 1 1 calc R U
C9 C 0.8828(6) 0.8211(4) 0.1051(3) 0.0224(13) Uani 1 1 d . .
C10 C 1.0477(7) 0.8893(5) 0.1698(4) 0.0338(16) Uani 1 1 d . .
H10A H 1.067602 0.963911 0.182874 0.041 Uiso 1 1 calc R U
H10B H 1.057832 0.872589 0.222566 0.041 Uiso 1 1 calc R U
C11 C 1.1662(7) 0.8699(5) 0.1349(4) 0.0403(18) Uani 1 1 d . .
H11 H 1.272036 0.914399 0.178020 0.048 Uiso 1 1 calc R U
C12 C 1.1535(9) 0.9004(6) 0.0571(5) 0.052(2) Uani 1 1 d . .
H12A H 1.233191 0.892059 0.035288 0.062 Uiso 1 1 calc R U
H12B H 1.170573 0.974580 0.070723 0.062 Uiso 1 1 calc R U
C13 C 0.9937(9) 0.8313(7) -0.0093(5) 0.052(2) Uani 1 1 d . .
H13 H 0.985698 0.850158 -0.061694 0.062 Uiso 1 1 calc R U
C14 C 0.9667(8) 0.7176(6) -0.0290(4) 0.0452(19) Uani 1 1 d . .
H14A H 0.862733 0.672667 -0.072234 0.054 Uiso 1 1 calc R U
H14B H 1.043904 0.706090 -0.051546 0.054 Uiso 1 1 calc R U
C15 C 0.9798(7) 0.6895(5) 0.0500(4) 0.0346(16) Uani 1 1 d . .
H15 H 0.962504 0.614614 0.036947 0.042 Uiso 1 1 calc R U
C16 C 0.8592(7) 0.7059(5) 0.0847(4) 0.0352(16) Uani 1 1 d . .
H16A H 0.868316 0.686733 0.136437 0.042 Uiso 1 1 calc R U
H16B H 0.754445 0.659994 0.042722 0.042 Uiso 1 1 calc R U
C17 C 0.8726(9) 0.8499(6) 0.0252(4) 0.048(2) Uani 1 1 d . .
H17A H 0.890966 0.924244 0.037733 0.058 Uiso 1 1 calc R U
H17B H 0.767889 0.806938 -0.017891 0.058 Uiso 1 1 calc R U
C18 C 1.1393(7) 0.7578(5) 0.1152(4) 0.0394(17) Uani 1 1 d . .
H18A H 1.149140 0.738874 0.167043 0.047 Uiso 1 1 calc R U
H18B H 1.217725 0.746648 0.093594 0.047 Uiso 1 1 calc R U
C19 C 0.7367(6) 0.9663(4) 0.1777(3) 0.0184(12) Uani 1 1 d . .
C20 C 0.6084(7) 0.9595(5) 0.2141(4) 0.0319(15) Uani 1 1 d . .
H20A H 0.507072 0.908965 0.170763 0.038 Uiso 1 1 calc R U
H20B H 0.626299 0.934261 0.262669 0.038 Uiso 1 1 calc R U
C21 C 0.6068(8) 1.0669(5) 0.2424(4) 0.0386(17) Uani 1 1 d . .
H21 H 0.522244 1.060901 0.265122 0.046 Uiso 1 1 calc R U
C22 C 0.7591(9) 1.1437(5) 0.3104(4) 0.0434(19) Uani 1 1 d . .
H22A H 0.778800 1.118468 0.358850 0.052 Uiso 1 1 calc R U
H22B H 0.756299 1.212291 0.330258 0.052 Uiso 1 1 calc R U
C23 C 0.8881(8) 1.1550(5) 0.2745(5) 0.0453(19) Uani 1 1 d . .
H23 H 0.989348 1.206761 0.318877 0.054 Uiso 1 1 calc R U
C24 C 0.8573(8) 1.1918(5) 0.1997(5) 0.0453(19) Uani 1 1 d . .
H24A H 0.940475 1.198615 0.176745 0.054 Uiso 1 1 calc R U
H24B H 0.855957 1.261186 0.217571 0.054 Uiso 1 1 calc R U
C25 C 0.7020(9) 1.1136(5) 0.1319(4) 0.0431(19) Uani 1 1 d . .
H25 H 0.681749 1.137932 0.082296 0.052 Uiso 1 1 calc R U
C26 C 0.7063(9) 1.0070(5) 0.1047(4) 0.0373(17) Uani 1 1 d . .
H26A H 0.606419 0.956463 0.060111 0.045 Uiso 1 1 calc R U
H26B H 0.788145 1.012988 0.080783 0.045 Uiso 1 1 calc R U
C27 C 0.8935(7) 1.0486(5) 0.2467(4) 0.0363(16) Uani 1 1 d . .
H27A H 0.915914 1.024881 0.295810 0.044 Uiso 1 1 calc R U
H27B H 0.977388 1.055319 0.224186 0.044 Uiso 1 1 calc R U
C28 C 0.5771(8) 1.1046(6) 0.1671(4) 0.0431(18) Uani 1 1 d . .
H28A H 0.475973 1.054747 0.123231 0.052 Uiso 1 1 calc R U
H28B H 0.573983 1.173470 0.184785 0.052 Uiso 1 1 calc R U
C29 C 0.7693(6) 0.8799(5) 0.5079(4) 0.0267(14) Uani 1 1 d . .
C30 C 0.7292(8) 0.8818(5) 0.5783(4) 0.0393(17) Uani 1 1 d . .
H30 H 0.721782 0.827347 0.601613 0.047 Uiso 1 1 calc R U
C31 C 0.7001(8) 0.9646(5) 0.6143(4) 0.0439(19) Uani 1 1 d . .
H31 H 0.674028 0.966232 0.663170 0.053 Uiso 1 1 calc R U
C32 C 0.7072(8) 1.0456(5) 0.5821(4) 0.0382(16) Uani 1 1 d . .
C33 C 0.7506(8) 1.0426(5) 0.5128(4) 0.0392(17) Uani 1 1 d . .
H33 H 0.759161 1.097477 0.489975 0.047 Uiso 1 1 calc R U
C34 C 0.7821(8) 0.9610(5) 0.4756(4) 0.0378(17) Uani 1 1 d . .
H34 H 0.812346 0.960812 0.428096 0.045 Uiso 1 1 calc R U
C35 C 0.6722(10) 1.1327(6) 0.6219(5) 0.058(2) Uani 1 1 d . .
H35A H 0.769017 1.193955 0.657172 0.087 Uiso 1 1 calc R U
H35B H 0.612500 1.110798 0.656820 0.087 Uiso 1 1 calc R U
H35C H 0.612333 1.150579 0.577955 0.087 Uiso 1 1 calc R U
C36 C -0.0136(9) 0.5205(6) 0.2918(4) 0.0459(19) Uani 1 1 d . .
C37 C 0.4391(9) 0.3112(6) 0.2966(4) 0.0440(18) 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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 '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'
Li Li -0.0003 0.0001 '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'
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
N1 Au1 P1 175.37(15) . .
C1 P1 C19 107.4(3) . .
C1 P1 C9 104.8(2) . .
C19 P1 C9 114.6(2) . .
C1 P1 Au1 112.62(18) . .
C19 P1 Au1 107.92(17) . .
C9 P1 Au1 109.59(19) . .
O1 S1 O2 115.5(3) . .
O1 S1 N1 108.9(3) . .
O2 S1 N1 110.7(3) . .
O1 S1 C29 102.8(3) . .
O2 S1 C29 107.2(3) . .
N1 S1 C29 111.5(3) . .
O5 S2 O3 114.1(3) . .
O5 S2 O4 114.6(3) . .
O3 S2 O4 115.9(3) . .
O5 S2 C36 103.6(3) . .
O3 S2 C36 103.3(3) . .
O4 S2 C36 103.0(3) . .
O8 S3 O7 115.3(3) . .
O8 S3 O6 114.9(3) . .
O7 S3 O6 114.6(3) . .
O8 S3 C37 104.7(3) . .
O7 S3 C37 102.8(3) . .
O6 S3 C37 102.2(3) . .
S1 O1 Li1 132.1(4) . .
S1 O2 Li2 126.0(4) . 2_666
S2 O3 Li1 135.0(4) . .
S2 O4 Li2 138.2(4) . .
S2 O5 Li2 141.3(4) . 2_566
S3 O6 Li1 124.3(4) . .
S3 O7 Li1 140.9(4) . 2_666
S3 O8 Li2 143.9(4) . 2_666
S1 N1 Au1 129.7(3) . .
S1 N1 H1 109(4) . .
Au1 N1 H1 121(4) . .
C7 N2 C2 114.0(5) . .
C7 N2 C8 110.4(6) . .
C2 N2 C8 110.9(5) . .
O7 Li1 O6 108.9(5) 2_666 .
O7 Li1 O3 108.2(5) 2_666 .
O6 Li1 O3 109.6(5) . .
O7 Li1 O1 108.2(5) 2_666 .
O6 Li1 O1 99.5(4) . .
O3 Li1 O1 121.7(5) . .
O4 Li2 O5 107.9(6) . 2_566
O4 Li2 O2 119.7(6) . 2_666
O5 Li2 O2 102.9(5) 2_566 2_666
O4 Li2 O8 105.4(5) . 2_666
O5 Li2 O8 109.8(5) 2_566 2_666
O2 Li2 O8 110.9(6) 2_666 2_666
C2 C1 C6 117.5(5) . .
C2 C1 P1 122.2(4) . .
C6 C1 P1 120.3(4) . .
C3 C2 C1 119.3(5) . .
C3 C2 N2 119.8(5) . .
C1 C2 N2 120.9(5) . .
C4 C3 C2 122.5(6) . .
C4 C3 H3 118.7 . .
C2 C3 H3 118.7 . .
C3 C4 C5 118.9(6) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
C6 C5 C4 119.9(6) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C1 121.8(5) . .
C5 C6 H6 119.1 . .
C1 C6 H6 119.1 . .
N2 C7 H7A 109.5 . .
N2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
N2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N2 C8 H8A 109.5 . .
N2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
N2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C17 C9 C10 107.7(5) . .
C17 C9 C16 108.8(5) . .
C10 C9 C16 107.6(5) . .
C17 C9 P1 116.9(4) . .
C10 C9 P1 108.7(4) . .
C16 C9 P1 106.9(4) . .
C11 C10 C9 110.4(5) . .
C11 C10 H10A 109.6 . .
C9 C10 H10A 109.6 . .
C11 C10 H10B 109.6 . .
C9 C10 H10B 109.6 . .
H10A C10 H10B 108.1 . .
C18 C11 C12 110.5(5) . .
C18 C11 C10 110.6(5) . .
C12 C11 C10 108.6(6) . .
C18 C11 H11 109.0 . .
C12 C11 H11 109.0 . .
C10 C11 H11 109.0 . .
C11 C12 C13 109.2(5) . .
C11 C12 H12A 109.8 . .
C13 C12 H12A 109.8 . .
C11 C12 H12B 109.8 . .
C13 C12 H12B 109.8 . .
H12A C12 H12B 108.3 . .
C14 C13 C12 109.8(6) . .
C14 C13 C17 110.2(6) . .
C12 C13 C17 108.5(6) . .
C14 C13 H13 109.4 . .
C12 C13 H13 109.4 . .
C17 C13 H13 109.4 . .
C15 C14 C13 109.4(5) . .
C15 C14 H14A 109.8 . .
C13 C14 H14A 109.8 . .
C15 C14 H14B 109.8 . .
C13 C14 H14B 109.8 . .
H14A C14 H14B 108.2 . .
C14 C15 C18 109.4(5) . .
C14 C15 C16 110.1(6) . .
C18 C15 C16 109.3(5) . .
C14 C15 H15 109.3 . .
C18 C15 H15 109.3 . .
C16 C15 H15 109.3 . .
C15 C16 C9 110.5(5) . .
C15 C16 H16A 109.6 . .
C9 C16 H16A 109.6 . .
C15 C16 H16B 109.6 . .
C9 C16 H16B 109.6 . .
H16A C16 H16B 108.1 . .
C9 C17 C13 110.1(5) . .
C9 C17 H17A 109.6 . .
C13 C17 H17A 109.6 . .
C9 C17 H17B 109.6 . .
C13 C17 H17B 109.6 . .
H17A C17 H17B 108.1 . .
C11 C18 C15 109.7(6) . .
C11 C18 H18A 109.7 . .
C15 C18 H18A 109.7 . .
C11 C18 H18B 109.7 . .
C15 C18 H18B 109.7 . .
H18A C18 H18B 108.2 . .
C26 C19 C20 107.8(5) . .
C26 C19 C27 107.5(5) . .
C20 C19 C27 108.2(5) . .
C26 C19 P1 118.0(4) . .
C20 C19 P1 106.4(4) . .
C27 C19 P1 108.6(4) . .
C21 C20 C19 110.2(5) . .
C21 C20 H20A 109.6 . .
C19 C20 H20A 109.6 . .
C21 C20 H20B 109.6 . .
C19 C20 H20B 109.6 . .
H20A C20 H20B 108.1 . .
C22 C21 C28 110.1(5) . .
C22 C21 C20 110.0(6) . .
C28 C21 C20 109.3(5) . .
C22 C21 H21 109.1 . .
C28 C21 H21 109.1 . .
C20 C21 H21 109.1 . .
C21 C22 C23 108.9(5) . .
C21 C22 H22A 109.9 . .
C23 C22 H22A 109.9 . .
C21 C22 H22B 109.9 . .
C23 C22 H22B 109.9 . .
H22A C22 H22B 108.3 . .
C24 C23 C27 109.4(6) . .
C24 C23 C22 110.1(6) . .
C27 C23 C22 109.0(6) . .
C24 C23 H23 109.5 . .
C27 C23 H23 109.5 . .
C22 C23 H23 109.5 . .
C23 C24 C25 109.8(5) . .
C23 C24 H24A 109.7 . .
C25 C24 H24A 109.7 . .
C23 C24 H24B 109.7 . .
C25 C24 H24B 109.7 . .
H24A C24 H24B 108.2 . .
C28 C25 C24 109.2(5) . .
C28 C25 C26 109.4(6) . .
C24 C25 C26 109.0(6) . .
C28 C25 H25 109.7 . .
C24 C25 H25 109.7 . .
C26 C25 H25 109.7 . .
C19 C26 C25 112.0(5) . .
C19 C26 H26A 109.2 . .
C25 C26 H26A 109.2 . .
C19 C26 H26B 109.2 . .
C25 C26 H26B 109.2 . .
H26A C26 H26B 107.9 . .
C23 C27 C19 110.5(5) . .
C23 C27 H27A 109.5 . .
C19 C27 H27A 109.5 . .
C23 C27 H27B 109.5 . .
C19 C27 H27B 109.5 . .
H27A C27 H27B 108.1 . .
C25 C28 C21 110.0(6) . .
C25 C28 H28A 109.7 . .
C21 C28 H28A 109.7 . .
C25 C28 H28B 109.7 . .
C21 C28 H28B 109.7 . .
H28A C28 H28B 108.2 . .
C30 C29 C34 119.9(6) . .
C30 C29 S1 118.1(5) . .
C34 C29 S1 121.4(5) . .
C29 C30 C31 118.7(6) . .
C29 C30 H30 120.6 . .
C31 C30 H30 120.6 . .
C30 C31 C32 122.9(6) . .
C30 C31 H31 118.5 . .
C32 C31 H31 118.5 . .
C33 C32 C31 117.0(6) . .
C33 C32 C35 121.7(7) . .
C31 C32 C35 121.3(6) . .
C32 C33 C34 121.6(6) . .
C32 C33 H33 119.2 . .
C34 C33 H33 119.2 . .
C29 C34 C33 119.9(6) . .
C29 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
C32 C35 H35A 109.5 . .
C32 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C32 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
F3 C36 F2 107.4(6) . .
F3 C36 F1 108.6(7) . .
F2 C36 F1 106.3(6) . .
F3 C36 S2 112.0(5) . .
F2 C36 S2 111.5(5) . .
F1 C36 S2 110.8(5) . .
F4 C37 F5 107.8(6) . .
F4 C37 F6 105.6(6) . .
F5 C37 F6 107.5(6) . .
F4 C37 S3 111.7(5) . .
F5 C37 S3 112.7(5) . .
F6 C37 S3 111.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 N1 2.038(5) .
Au1 P1 2.2453(14) .
P1 C1 1.837(6) .
P1 C19 1.873(6) .
P1 C9 1.881(5) .
S1 O1 1.440(4) .
S1 O2 1.451(4) .
S1 N1 1.557(5) .
S1 C29 1.767(6) .
S2 O5 1.427(4) .
S2 O3 1.433(4) .
S2 O4 1.444(4) .
S2 C36 1.817(7) .
S3 O8 1.426(4) .
S3 O7 1.430(4) .
S3 O6 1.436(4) .
S3 C37 1.806(7) .
F1 C36 1.339(8) .
F2 C36 1.332(8) .
F3 C36 1.309(8) .
F4 C37 1.318(8) .
F5 C37 1.320(7) .
F6 C37 1.323(8) .
O1 Li1 1.955(10) .
O2 Li2 2.000(12) 2_666
O3 Li1 1.944(11) .
O4 Li2 1.940(11) .
O5 Li2 1.982(11) 2_566
O6 Li1 1.935(11) .
O7 Li1 1.912(10) 2_666
O8 Li2 2.005(12) 2_666
N1 H1 0.843(10) .
N2 C7 1.427(9) .
N2 C2 1.439(7) .
N2 C8 1.471(8) .
C1 C2 1.399(8) .
C1 C6 1.405(8) .
C2 C3 1.374(8) .
C3 C4 1.368(8) .
C3 H3 0.9500 .
C4 C5 1.375(8) .
C4 H4 0.9500 .
C5 C6 1.369(8) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C17 1.527(8) .
C9 C10 1.542(8) .
C9 C16 1.546(8) .
C10 C11 1.530(8) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C18 1.495(9) .
C11 C12 1.504(10) .
C11 H11 1.0000 .
C12 C13 1.522(11) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.516(10) .
C13 C17 1.547(8) .
C13 H13 1.0000 .
C14 C15 1.504(9) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C18 1.511(9) .
C15 C16 1.534(8) .
C15 H15 1.0000 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C26 1.517(8) .
C19 C20 1.544(7) .
C19 C27 1.558(8) .
C20 C21 1.533(8) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.509(9) .
C21 C28 1.525(9) .
C21 H21 1.0000 .
C22 C23 1.538(10) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.508(10) .
C23 C27 1.535(9) .
C23 H23 1.0000 .
C24 C25 1.529(10) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C28 1.496(9) .
C25 C26 1.530(9) .
C25 H25 1.0000 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.382(8) .
C29 C34 1.389(9) .
C30 C31 1.384(9) .
C30 H30 0.9500 .
C31 C32 1.392(9) .
C31 H31 0.9500 .
C32 C33 1.380(9) .
C32 C35 1.496(10) .
C33 C34 1.391(9) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
