#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:50:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180157 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/53/7105345.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_7105345
loop_
_publ_author_name
'Reeds, Jonathan P'
'Whitwood, Adrian C'
'Healy, Mark P'
'Fairlamb, Ian J S'
_publ_section_title
;
 Remarkable anion effects uncovered in the development of a
 Au(III)-catalyzed tandem nucleophilic substitution-1,5-enyne
 cycloisomerization process.
;
_journal_issue                   12
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2046
_journal_page_last               2048
_journal_paper_doi               10.1039/b925919h
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C17 H24 Au Br2 F4 N3 O2'
_chemical_formula_sum            'C17 H24 Au Br2 F4 N3 O2'
_chemical_formula_weight         735.18
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.5158(18)
_cell_length_b                   18.242(2)
_cell_length_c                   18.874(2)
_cell_measurement_reflns_used    8171
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      29.99
_cell_measurement_theta_min      2.16
_cell_volume                     4653.5(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0210
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            66257
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    9.806
_exptl_absorpt_correction_T_max  0.279
_exptl_absorpt_correction_T_min  0.058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.10; (Sheldrick)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.099
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       shard
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.345
_refine_diff_density_min         -1.236
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.439
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     332
_refine_ls_number_reflns         6784
_refine_ls_number_restraints     91
_refine_ls_restrained_S_all      1.436
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+56.3101P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1011
_reflns_number_gt                5982
_reflns_number_total             6784
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b925919h.txt
_cod_data_source_block           ijf0917m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4653.7(10)
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7105345
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.929593(18) 0.156370(12) 0.814862(12) 0.01759(6) Uani 1 1 d . . .
Br1 Br 1.09033(5) 0.09859(4) 0.80798(4) 0.03128(16) Uani 1 1 d . . .
Br2 Br 0.76782(5) 0.21318(4) 0.82107(5) 0.03303(17) Uani 1 1 d . . .
C1 C 0.8563(5) 0.0168(4) 0.8857(4) 0.0250(14) Uani 1 1 d D . .
C4 C 0.8924(9) 0.1086(4) 0.9646(4) 0.048(3) Uani 1 1 d D . .
C5 C 0.9712(5) 0.2251(3) 0.7378(3) 0.0186(12) Uani 1 1 d . . .
C6 C 1.0403(5) 0.3353(4) 0.8113(4) 0.0253(14) Uani 1 1 d . . .
C7 C 1.0168(9) 0.2967(5) 0.8796(5) 0.055(3) Uani 1 1 d . . .
H7A H 0.9457 0.2864 0.8818 0.082 Uiso 1 1 calc R . .
H7B H 1.0356 0.3280 0.9196 0.082 Uiso 1 1 calc R . .
H7C H 1.0538 0.2505 0.8819 0.082 Uiso 1 1 calc R . .
C8 C 0.9862(7) 0.4106(4) 0.8038(6) 0.048(2) Uani 1 1 d . . .
H8A H 0.9989 0.4398 0.8471 0.057 Uiso 1 1 calc R . .
H8B H 1.0155 0.4375 0.7633 0.057 Uiso 1 1 calc R . .
C9 C 0.8766(8) 0.4057(6) 0.7928(9) 0.076(4) Uani 1 1 d . . .
H9A H 0.8630 0.3809 0.7478 0.115 Uiso 1 1 calc R . .
H9B H 0.8483 0.4551 0.7918 0.115 Uiso 1 1 calc R . .
H9C H 0.8469 0.3778 0.8317 0.115 Uiso 1 1 calc R . .
C10 C 1.1502(7) 0.3510(5) 0.8081(5) 0.043(2) Uani 1 1 d . . .
H10A H 1.1870 0.3048 0.8112 0.065 Uiso 1 1 calc R . .
H10B H 1.1688 0.3827 0.8478 0.065 Uiso 1 1 calc R . .
H10C H 1.1660 0.3755 0.7633 0.065 Uiso 1 1 calc R . .
C11 C 1.0382(6) 0.3196(4) 0.6807(4) 0.0313(16) Uani 1 1 d . . .
H11 H 1.0695 0.3652 0.6717 0.038 Uiso 1 1 calc R . .
C12 C 1.0083(7) 0.2709(4) 0.6316(4) 0.0348(18) Uani 1 1 d . . .
H12 H 1.0151 0.2758 0.5817 0.042 Uiso 1 1 calc R . .
C13 C 0.9339(7) 0.1446(4) 0.6252(4) 0.0344(18) Uani 1 1 d . . .
C14 C 0.8719(5) 0.0920(4) 0.6710(4) 0.0244(13) Uani 1 1 d . . .
H14A H 0.8179 0.1192 0.6936 0.037 Uiso 1 1 calc R . .
H14B H 0.9141 0.0700 0.7076 0.037 Uiso 1 1 calc R . .
H14C H 0.8443 0.0532 0.6410 0.037 Uiso 1 1 calc R . .
C15 C 1.0341(8) 0.1048(5) 0.6014(6) 0.050(2) Uani 1 1 d . . .
H15A H 1.0183 0.0631 0.5706 0.074 Uiso 1 1 calc R . .
H15B H 1.0695 0.0873 0.6434 0.074 Uiso 1 1 calc R . .
H15C H 1.0759 0.1396 0.5755 0.074 Uiso 1 1 calc R . .
C16 C 0.8837(9) 0.1689(5) 0.5594(5) 0.051(3) Uani 1 1 d . . .
H16A H 0.8668 0.1252 0.5306 0.062 Uiso 1 1 calc R . .
H16B H 0.9300 0.1994 0.5314 0.062 Uiso 1 1 calc R . .
C17 C 0.7909(8) 0.2121(7) 0.5734(6) 0.059(3) Uani 1 1 d . . .
H17A H 0.7465 0.1835 0.6037 0.089 Uiso 1 1 calc R . .
H17B H 0.7579 0.2230 0.5284 0.089 Uiso 1 1 calc R . .
H17C H 0.8081 0.2581 0.5973 0.089 Uiso 1 1 calc R . .
C2A C 0.8160(11) -0.0134(8) 0.9569(6) 0.042(4) Uani 0.69(3) 1 d PDU A 1
C3A C 0.8613(11) 0.0435(7) 1.0125(7) 0.044(4) Uani 0.69(3) 1 d PDU A 1
C2B C 0.845(2) -0.0184(13) 0.9600(8) 0.031(8) Uani 0.31(3) 1 d PDU A 2
C3B C 0.8258(16) 0.0537(12) 1.0056(13) 0.040(9) Uani 0.31(3) 1 d PDU A 2
F1A F 0.7176(11) -0.0241(8) 0.9517(10) 0.073(4) Uani 0.69(3) 1 d PDU A 1
F2A F 0.8574(15) -0.0793(6) 0.9694(7) 0.060(4) Uani 0.69(3) 1 d PDU A 1
F3A F 0.7865(16) 0.0682(7) 1.0534(7) 0.075(5) Uani 0.69(3) 1 d PDU A 1
F4A F 0.9351(15) 0.0216(7) 1.0559(6) 0.070(4) Uani 0.69(3) 1 d PDU A 1
F1B F 0.752(3) -0.041(2) 0.9701(19) 0.070(10) Uani 0.31(3) 1 d PDU A 2
F2B F 0.909(3) -0.0724(17) 0.9775(17) 0.060(8) Uani 0.31(3) 1 d PDU A 2
F3B F 0.734(2) 0.0676(17) 1.0301(17) 0.066(8) Uani 0.31(3) 1 d PDU A 2
F4B F 0.878(3) 0.0298(18) 1.0620(13) 0.067(9) Uani 0.31(3) 1 d PDU A 2
N1 N 0.8889(5) 0.0871(3) 0.8951(3) 0.0269(13) Uani 1 1 d . A .
N2 N 1.0151(4) 0.2911(3) 0.7463(3) 0.0221(11) Uani 1 1 d . . .
N3 N 0.9656(5) 0.2120(3) 0.6675(3) 0.0243(12) Uani 1 1 d . . .
O1 O 0.8511(5) -0.0163(3) 0.8310(3) 0.0343(13) Uani 1 1 d . A .
O2A O 0.9330(18) 0.1665(14) 0.9868(13) 0.049(5) Uani 0.69(3) 1 d P A 1
O2B O 0.893(3) 0.165(4) 0.987(3) 0.046(10) Uani 0.31(3) 1 d P A 2
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
C5 Au1 N1 178.9(3) . . ?
C5 Au1 Br1 88.96(19) . . ?
N1 Au1 Br1 90.69(19) . . ?
C5 Au1 Br2 91.17(19) . . ?
N1 Au1 Br2 89.19(19) . . ?
Br1 Au1 Br2 179.40(3) . . ?
O1 C1 N1 127.1(6) . . ?
O1 C1 C2B 124.5(12) . . ?
N1 C1 C2B 107.5(12) . . ?
O1 C1 C2A 123.2(8) . . ?
N1 C1 C2A 109.4(8) . . ?
C2B C1 C2A 15.3(10) . . ?
O2B C4 O2A 25(3) . . ?
O2B C4 N1 129(3) . . ?
O2A C4 N1 125.0(13) . . ?
O2B C4 C3A 120(3) . . ?
O2A C4 C3A 124.4(14) . . ?
N1 C4 C3A 109.2(8) . . ?
O2B C4 C3B 115(3) . . ?
O2A C4 C3B 128.8(16) . . ?
N1 C4 C3B 105.7(12) . . ?
C3A C4 C3B 19.7(8) . . ?
N3 C5 N2 107.4(5) . . ?
N3 C5 Au1 126.0(5) . . ?
N2 C5 Au1 126.5(5) . . ?
C7 C6 N2 113.5(6) . . ?
C7 C6 C10 109.2(8) . . ?
N2 C6 C10 106.9(6) . . ?
C7 C6 C8 113.0(7) . . ?
N2 C6 C8 107.0(7) . . ?
C10 C6 C8 106.8(6) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C6 114.9(7) . . ?
C9 C8 H8A 108.5 . . ?
C6 C8 H8A 108.5 . . ?
C9 C8 H8B 108.5 . . ?
C6 C8 H8B 108.5 . . ?
H8A C8 H8B 107.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 H10A 109.5 . . ?
C6 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C6 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 N2 107.6(6) . . ?
C12 C11 H11 126.2 . . ?
N2 C11 H11 126.2 . . ?
C11 C12 N3 107.3(7) . . ?
C11 C12 H12 126.3 . . ?
N3 C12 H12 126.3 . . ?
C16 C13 N3 109.0(6) . . ?
C16 C13 C14 114.1(8) . . ?
N3 C13 C14 111.2(6) . . ?
C16 C13 C15 106.7(8) . . ?
N3 C13 C15 105.9(7) . . ?
C14 C13 C15 109.6(7) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 C17 113.0(9) . . ?
C13 C16 H16A 109.0 . . ?
C17 C16 H16A 109.0 . . ?
C13 C16 H16B 109.0 . . ?
C17 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
F1A C2A F2A 107.0(13) . . ?
F1A C2A C1 109.5(10) . . ?
F2A C2A C1 108.8(10) . . ?
F1A C2A C3A 121.4(15) . . ?
F2A C2A C3A 107.8(11) . . ?
C1 C2A C3A 101.8(9) . . ?
F3A C3A F4A 107.8(11) . . ?
F3A C3A C4 106.3(10) . . ?
F4A C3A C4 112.4(10) . . ?
F3A C3A C2A 107.7(10) . . ?
F4A C3A C2A 119.2(12) . . ?
C4 C3A C2A 102.6(9) . . ?
F2B C2B F1B 110(2) . . ?
F2B C2B C1 117.7(19) . . ?
F1B C2B C1 110.2(18) . . ?
F2B C2B C3B 125(2) . . ?
F1B C2B C3B 91(2) . . ?
C1 C2B C3B 99.4(13) . . ?
F4B C3B F3B 106(2) . . ?
F4B C3B C4 107.3(18) . . ?
F3B C3B C4 126(2) . . ?
F4B C3B C2B 94.1(19) . . ?
F3B C3B C2B 119.6(19) . . ?
C4 C3B C2B 99.6(15) . . ?
C1 N1 C4 113.9(6) . . ?
C1 N1 Au1 124.7(5) . . ?
C4 N1 Au1 121.4(5) . . ?
C5 N2 C11 109.1(6) . . ?
C5 N2 C6 132.3(6) . . ?
C11 N2 C6 118.6(5) . . ?
C5 N3 C12 108.6(6) . . ?
C5 N3 C13 132.2(6) . . ?
C12 N3 C13 118.8(6) . . ?
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
Au1 C5 2.001(6) . ?
Au1 N1 2.048(6) . ?
Au1 Br1 2.4182(8) . ?
Au1 Br2 2.4225(8) . ?
C1 O1 1.198(9) . ?
C1 N1 1.367(9) . ?
C1 C2B 1.550(11) . ?
C1 C2A 1.552(10) . ?
C4 O2B 1.11(7) . ?
C4 O2A 1.26(3) . ?
C4 N1 1.371(10) . ?
C4 C3A 1.550(10) . ?
C4 C3B 1.553(12) . ?
C5 N3 1.350(8) . ?
C5 N2 1.353(8) . ?
C6 C7 1.504(11) . ?
C6 N2 1.506(9) . ?
C6 C10 1.514(11) . ?
C6 C8 1.562(11) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.499(15) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.344(10) . ?
C11 N2 1.379(9) . ?
C11 H11 0.9500 . ?
C12 N3 1.395(9) . ?
C12 H12 0.9500 . ?
C13 C16 1.483(12) . ?
C13 N3 1.528(9) . ?
C13 C14 1.540(10) . ?
C13 C15 1.602(14) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.505(15) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C2A F1A 1.348(10) . ?
C2A F2A 1.348(10) . ?
C2A C3A 1.598(17) . ?
C3A F3A 1.349(10) . ?
C3A F4A 1.351(10) . ?
C2B F2B 1.345(11) . ?
C2B F1B 1.346(11) . ?
C2B C3B 1.593(18) . ?
C3B F4B 1.349(11) . ?
C3B F3B 1.349(11) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Br1 Au1 C5 N3 85.1(6) . . . . ?
Br2 Au1 C5 N3 -94.3(6) . . . . ?
Br1 Au1 C5 N2 -90.8(6) . . . . ?
Br2 Au1 C5 N2 89.8(6) . . . . ?
C7 C6 C8 C9 -70.2(12) . . . . ?
N2 C6 C8 C9 55.5(11) . . . . ?
C10 C6 C8 C9 169.7(10) . . . . ?
N2 C11 C12 N3 0.4(10) . . . . ?
N3 C13 C16 C17 -62.1(10) . . . . ?
C14 C13 C16 C17 62.8(10) . . . . ?
C15 C13 C16 C17 -176.0(8) . . . . ?
O1 C1 C2A F1A -61.5(15) . . . . ?
N1 C1 C2A F1A 113.4(12) . . . . ?
C2B C1 C2A F1A -161(6) . . . . ?
O1 C1 C2A F2A 55.2(14) . . . . ?
N1 C1 C2A F2A -130.0(12) . . . . ?
C2B C1 C2A F2A -44(5) . . . . ?
O1 C1 C2A C3A 168.9(10) . . . . ?
N1 C1 C2A C3A -16.3(13) . . . . ?
C2B C1 C2A C3A 69(5) . . . . ?
O2B C4 C3A F3A 38(3) . . . . ?
O2A C4 C3A F3A 68(2) . . . . ?
N1 C4 C3A F3A -125.4(12) . . . . ?
C3B C4 C3A F3A -42(3) . . . . ?
O2B C4 C3A F4A -79(3) . . . . ?
O2A C4 C3A F4A -50(2) . . . . ?
N1 C4 C3A F4A 116.9(12) . . . . ?
C3B C4 C3A F4A -160(4) . . . . ?
O2B C4 C3A C2A 151(3) . . . . ?
O2A C4 C3A C2A -179.4(16) . . . . ?
N1 C4 C3A C2A -12.4(15) . . . . ?
C3B C4 C3A C2A 71(4) . . . . ?
F1A C2A C3A F3A 6.5(13) . . . . ?
F2A C2A C3A F3A -117.3(11) . . . . ?
C1 C2A C3A F3A 128.3(10) . . . . ?
F1A C2A C3A F4A 129.6(12) . . . . ?
F2A C2A C3A F4A 5.9(13) . . . . ?
C1 C2A C3A F4A -108.5(12) . . . . ?
F1A C2A C3A C4 -105.4(12) . . . . ?
F2A C2A C3A C4 130.8(11) . . . . ?
C1 C2A C3A C4 16.4(14) . . . . ?
O1 C1 C2B F2B 58(3) . . . . ?
N1 C1 C2B F2B -112(2) . . . . ?
C2A C1 C2B F2B 149(6) . . . . ?
O1 C1 C2B F1B -68(2) . . . . ?
N1 C1 C2B F1B 122(3) . . . . ?
C2A C1 C2B F1B 22(4) . . . . ?
O1 C1 C2B C3B -163.3(13) . . . . ?
N1 C1 C2B C3B 26.9(19) . . . . ?
C2A C1 C2B C3B -73(4) . . . . ?
O2B C4 C3B F4B -82(4) . . . . ?
O2A C4 C3B F4B -57(3) . . . . ?
N1 C4 C3B F4B 131(2) . . . . ?
C3A C4 C3B F4B 28(3) . . . . ?
O2B C4 C3B F3B 43(4) . . . . ?
O2A C4 C3B F3B 68(3) . . . . ?
N1 C4 C3B F3B -104(3) . . . . ?
C3A C4 C3B F3B 153(5) . . . . ?
O2B C4 C3B C2B -179(3) . . . . ?
O2A C4 C3B C2B -154.4(19) . . . . ?
N1 C4 C3B C2B 33.3(19) . . . . ?
C3A C4 C3B C2B -70(3) . . . . ?
F2B C2B C3B F4B -9(3) . . . . ?
F1B C2B C3B F4B 106(2) . . . . ?
C1 C2B C3B F4B -143(2) . . . . ?
F2B C2B C3B F3B -120(3) . . . . ?
F1B C2B C3B F3B -5(3) . . . . ?
C1 C2B C3B F3B 106(2) . . . . ?
F2B C2B C3B C4 99(3) . . . . ?
F1B C2B C3B C4 -145(2) . . . . ?
C1 C2B C3B C4 -35(2) . . . . ?
O1 C1 N1 C4 -176.0(9) . . . . ?
C2B C1 N1 C4 -6.5(13) . . . . ?
C2A C1 N1 C4 9.5(11) . . . . ?
O1 C1 N1 Au1 4.1(12) . . . . ?
C2B C1 N1 Au1 173.6(10) . . . . ?
C2A C1 N1 Au1 -170.5(7) . . . . ?
O2B C4 N1 C1 -159(3) . . . . ?
O2A C4 N1 C1 169.3(17) . . . . ?
C3A C4 N1 C1 2.3(12) . . . . ?
C3B C4 N1 C1 -18.0(14) . . . . ?
O2B C4 N1 Au1 21(3) . . . . ?
O2A C4 N1 Au1 -11(2) . . . . ?
C3A C4 N1 Au1 -177.7(7) . . . . ?
C3B C4 N1 Au1 161.9(10) . . . . ?
Br1 Au1 N1 C1 -80.7(6) . . . . ?
Br2 Au1 N1 C1 98.7(6) . . . . ?
Br1 Au1 N1 C4 99.4(8) . . . . ?
Br2 Au1 N1 C4 -81.2(8) . . . . ?
N3 C5 N2 C11 -0.5(8) . . . . ?
Au1 C5 N2 C11 176.0(5) . . . . ?
N3 C5 N2 C6 179.1(7) . . . . ?
Au1 C5 N2 C6 -4.4(11) . . . . ?
C12 C11 N2 C5 0.0(9) . . . . ?
C12 C11 N2 C6 -179.6(7) . . . . ?
C7 C6 N2 C5 3.7(11) . . . . ?
C10 C6 N2 C5 124.2(8) . . . . ?
C8 C6 N2 C5 -121.6(8) . . . . ?
C7 C6 N2 C11 -176.7(8) . . . . ?
C10 C6 N2 C11 -56.2(9) . . . . ?
C8 C6 N2 C11 58.0(8) . . . . ?
N2 C5 N3 C12 0.8(8) . . . . ?
Au1 C5 N3 C12 -175.7(6) . . . . ?
N2 C5 N3 C13 172.9(8) . . . . ?
Au1 C5 N3 C13 -3.6(12) . . . . ?
C11 C12 N3 C5 -0.8(10) . . . . ?
C11 C12 N3 C13 -174.1(7) . . . . ?
C16 C13 N3 C5 145.4(9) . . . . ?
C14 C13 N3 C5 18.8(12) . . . . ?
C15 C13 N3 C5 -100.1(9) . . . . ?
C16 C13 N3 C12 -43.1(11) . . . . ?
C14 C13 N3 C12 -169.7(7) . . . . ?
C15 C13 N3 C12 71.4(9) . . . . ?
