#------------------------------------------------------------------------------
#$Date: 2016-03-21 11:06:21 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178680 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/91/4079173.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_4079173
loop_
_publ_author_name
'Gierz, Verena'
'Seyboldt, Alexander'
'Maichle-Mössmer, Cäcilia'
'Törnroos, Karl W.'
'Speidel, Michael T.'
'Speiser, Bernd'
'Eichele, Klaus'
'Kunz, Doris'
_publ_section_title
;
 Dinuclear Coinage-Metal Complexes of Bis(NHC) Ligands: Structural
 Features and Dynamic Behavior of a Cu--Cu Complex
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              7893
_journal_paper_doi               10.1021/om300544g
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C44 H36 Au2 N8, 2(F6 P)'
_chemical_formula_sum            'C44 H36 Au2 F12 N8 P2'
_chemical_formula_weight         1360.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_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                 101.145(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.1554(6)
_cell_length_b                   30.4245(12)
_cell_length_c                   10.8287(4)
_cell_measurement_reflns_used    9632
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.18
_cell_measurement_theta_min      2.71
_cell_volume                     4575.7(3)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0066
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            215918
_diffrn_reflns_theta_full        33.25
_diffrn_reflns_theta_max         33.25
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    6.567
_exptl_absorpt_correction_T_max  0.3563
_exptl_absorpt_correction_T_min  0.1510
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
SADABS version 2008/1, G.M Sheldrick, University of 
Gẗtingen, Germany, 2008.
;
_exptl_crystal_density_diffrn    1.975
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2608
_exptl_crystal_size_max          0.463
_exptl_crystal_size_mid          0.255
_exptl_crystal_size_min          0.198
_platon_squeeze_details
;
;
_refine_diff_density_max         3.760
_refine_diff_density_min         -3.302
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         8903
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0202P)²+26.1228P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0594
_refine_ls_wR_factor_ref         0.0605
_reflns_number_gt                8376
_reflns_number_total             8903
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300544g_si_001.cif
_cod_data_source_block           compound3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4079173
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'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 0.5000 0.320368(4) 0.5000 0.01733(3) Uani 1 2 d S . .
Au2 Au 0.5000 0.229017(4) 0.5000 0.01971(3) Uani 1 2 d S . .
P1 P 0.5000 0.24419(3) 0.0000 0.02340(16) Uani 1 2 d S . .
F1 F 0.4191(2) 0.28126(9) -0.0135(3) 0.0628(7) Uani 1 1 d . . .
F2 F 0.50763(14) 0.24431(7) 0.15009(17) 0.0372(4) Uani 1 1 d . . .
F3 F 0.41902(15) 0.20762(8) -0.0137(2) 0.0448(5) Uani 1 1 d . . .
P2 P 0.22120(10) 0.00981(4) 0.40918(15) 0.0284(3) Uani 0.50 1 d PD . 3
F4 F 0.1281(2) 0.0000 0.4693(4) 0.0561(7) Uani 1 2 d SD . 3
F5 F 0.2069(3) 0.06173(12) 0.4216(5) 0.0411(7) Uani 0.50 1 d PD . 3
F6 F 0.1516(3) -0.00957(14) 0.2757(4) 0.0586(11) Uani 0.50 1 d P . 3
F7 F 0.2861(4) -0.00971(14) 0.5463(4) 0.0586(11) Uani 0.50 1 d P . 3
F8 F 0.3127(3) 0.01829(15) 0.3494(6) 0.0561(7) Uani 0.50 1 d PD . 3
F5A F 0.2358(3) 0.04248(12) 0.3990(5) 0.0411(7) Uani 0.50 1 d PD . 4
N6 N 0.65051(16) 0.29688(7) 0.3335(2) 0.0246(4) Uani 1 1 d . . .
N4 N 0.5950(2) 0.36197(8) 0.3084(3) 0.0369(6) Uani 1 1 d . . .
N7 N 0.66894(15) 0.25295(7) 0.3627(2) 0.0223(4) Uani 1 1 d . . .
N9 N 0.66830(17) 0.18649(8) 0.4230(2) 0.0277(4) Uani 1 1 d . B .
C5 C 0.58506(19) 0.32423(8) 0.3707(2) 0.0243(4) Uani 1 1 d . . .
C2A C 0.7022(3) 0.31786(10) 0.2520(3) 0.0385(7) Uani 1 1 d . . .
C3 C 0.6653(3) 0.35894(10) 0.2376(4) 0.0502(11) Uani 1 1 d . . .
H3 H 0.6846 0.3816 0.1875 0.060 Uiso 1 1 calc R . .
C12 C 0.4325(4) 0.39652(11) 0.2575(4) 0.0500(11) Uani 1 1 d . . .
C11 C 0.5369(3) 0.40156(9) 0.3158(4) 0.0526(11) Uani 1 1 d . . .
H11A H 0.5640 0.4260 0.2734 0.063 Uiso 1 1 calc R . .
H11B H 0.5422 0.4097 0.4054 0.063 Uiso 1 1 calc R . .
C17 C 0.3996(3) 0.36620(12) 0.1629(4) 0.0478(9) Uani 1 1 d . . .
H17 H 0.4435 0.3464 0.1364 0.057 Uiso 1 1 calc R . .
C16 C 0.3027(4) 0.36481(17) 0.1071(4) 0.0602(12) Uani 1 1 d . . .
H16 H 0.2804 0.3439 0.0430 0.072 Uiso 1 1 calc R . .
C15 C 0.2380(4) 0.3942(2) 0.1449(4) 0.082(2) Uani 1 1 d . . .
H15 H 0.1718 0.3935 0.1059 0.098 Uiso 1 1 calc R . .
C14 C 0.2703(5) 0.4239(2) 0.2386(5) 0.094(3) Uani 1 1 d . . .
H14 H 0.2264 0.4438 0.2648 0.113 Uiso 1 1 calc R . .
C13 C 0.3658(5) 0.42515(15) 0.2948(4) 0.0737(18) Uani 1 1 d . . .
H13 H 0.3871 0.4458 0.3601 0.088 Uiso 1 1 calc R . .
C2 C 0.7792(3) 0.29577(12) 0.2078(3) 0.0430(8) Uani 1 1 d . . .
H2 H 0.8148 0.3108 0.1549 0.052 Uiso 1 1 calc R . .
C1 C 0.8005(2) 0.25432(11) 0.2412(3) 0.0357(7) Uani 1 1 d . . .
H1 H 0.8526 0.2398 0.2147 0.043 Uiso 1 1 calc R . .
C10A C 0.74383(18) 0.23173(10) 0.3179(3) 0.0276(5) Uani 1 1 d . . .
C8 C 0.62018(18) 0.22489(8) 0.4256(2) 0.0227(4) Uani 1 1 d . . .
C10 C 0.74218(19) 0.18983(10) 0.3579(3) 0.0288(5) Uani 1 1 d . . .
H10 H 0.7843 0.1669 0.3437 0.035 Uiso 1 1 calc R . .
C25 C 0.6371(3) 0.14441(10) 0.4664(3) 0.0405(7) Uani 1 1 d . . .
H25A H 0.6941 0.1251 0.4887 0.049 Uiso 1 1 calc R A 1
H25B H 0.6117 0.1496 0.5441 0.049 Uiso 1 1 calc R A 1
C18A C 0.57033(19) 0.12331(8) 0.3843(3) 0.0289(15) Uani 0.498(5) 1 d PG B 1
C19A C 0.5423(2) 0.08307(9) 0.4262(2) 0.0388(14) Uani 0.498(5) 1 d PG B 1
H19A H 0.5727 0.0721 0.5061 0.047 Uiso 0.498(5) 1 calc PR B 1
C20A C 0.4696(2) 0.05897(8) 0.3512(3) 0.051(2) Uani 0.498(5) 1 d PG B 1
H20A H 0.4504 0.0315 0.3799 0.061 Uiso 0.498(5) 1 calc PR B 1
C21A C 0.42504(17) 0.07509(9) 0.2343(3) 0.054(2) Uani 0.498(5) 1 d PG B 1
H21A H 0.3754 0.0586 0.1831 0.065 Uiso 0.498(5) 1 calc PR B 1
C22A C 0.45312(17) 0.11533(8) 0.1925(3) 0.0397(18) Uani 0.498(5) 1 d PG B 1
H22A H 0.4227 0.1264 0.1126 0.048 Uiso 0.498(5) 1 calc PR B 1
C23A C 0.52576(19) 0.13944(6) 0.2675(3) 0.0347(19) Uani 0.498(5) 1 d PG B 1
H23A H 0.5450 0.1669 0.2388 0.042 Uiso 0.498(5) 1 calc PR B 1
C18B C 0.56879(15) 0.11645(7) 0.3463(3) 0.0273(13) Uani 0.502(5) 1 d PG B 2
C19B C 0.57451(19) 0.07086(7) 0.3433(3) 0.0367(13) Uani 0.502(5) 1 d PG B 2
H19B H 0.6142 0.0555 0.4104 0.044 Uiso 0.502(5) 1 calc PR B 2
C20B C 0.5222(3) 0.04768(6) 0.2422(3) 0.0415(16) Uani 0.502(5) 1 d PG B 2
H20B H 0.5261 0.0165 0.2401 0.050 Uiso 0.502(5) 1 calc PR B 2
C21B C 0.4641(3) 0.07009(9) 0.1440(3) 0.0364(13) Uani 0.502(5) 1 d PG B 2
H21B H 0.4284 0.0542 0.0749 0.044 Uiso 0.502(5) 1 calc PR B 2
C22B C 0.4584(2) 0.11567(9) 0.1470(3) 0.0334(15) Uani 0.502(5) 1 d PG B 2
H22B H 0.4187 0.1310 0.0799 0.040 Uiso 0.502(5) 1 calc PR B 2
C23B C 0.51074(19) 0.13885(6) 0.2481(3) 0.0319(16) Uani 0.502(5) 1 d PG B 2
H23B H 0.5068 0.1700 0.2502 0.038 Uiso 0.502(5) 1 calc PR B 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'
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
C5 Au1 C5 173.32(14) . 2_656
C5 Au1 Au2 93.34(7) . .
C5 Au1 Au2 93.34(7) 2_656 .
C8 Au2 C8 172.87(14) 2_656 .
C8 Au2 Au1 93.57(7) 2_656 .
C8 Au2 Au1 93.56(7) . .
F3 P1 F3 90.74(19) . 2_655
F3 P1 F1 89.67(15) . .
F3 P1 F1 179.59(16) 2_655 .
F3 P1 F1 179.59(16) . 2_655
F3 P1 F1 89.67(15) 2_655 2_655
F1 P1 F1 89.9(2) . 2_655
F3 P1 F2 90.12(11) . .
F3 P1 F2 90.06(11) 2_655 .
F1 P1 F2 89.88(13) . .
F1 P1 F2 89.93(13) 2_655 .
F3 P1 F2 90.06(11) . 2_655
F3 P1 F2 90.12(11) 2_655 2_655
F1 P1 F2 89.93(13) . 2_655
F1 P1 F2 89.89(13) 2_655 2_655
F2 P1 F2 179.74(17) . 2_655
P2 P2 F8 99.42(17) 6 .
P2 P2 F6 89.74(16) 6 6
F8 P2 F6 92.4(3) . 6
P2 P2 F7 89.89(16) 6 6
F8 P2 F7 90.7(3) . 6
F6 P2 F7 176.9(3) 6 6
P2 P2 F5 170.51(17) 6 .
F8 P2 F5 90.0(2) . .
F6 P2 F5 90.8(2) 6 .
F7 P2 F5 89.0(2) 6 .
P2 P2 F4 79.30(5) 6 .
F8 P2 F4 178.70(19) . .
F6 P2 F4 87.4(3) 6 .
F7 P2 F4 89.6(3) 6 .
F5 P2 F4 91.26(18) . .
P2 P2 F6 69.58(15) 6 .
F8 P2 F6 95.5(3) . .
F7 P2 F6 159.3(2) 6 .
F5 P2 F6 110.7(2) . .
F4 P2 F6 83.9(2) . .
P2 P2 F7 69.50(15) 6 .
F8 P2 F7 93.9(3) . .
F6 P2 F7 159.0(2) 6 .
F5 P2 F7 109.1(2) . .
F4 P2 F7 85.9(2) . .
F6 P2 F7 139.0(2) . .
P2 P2 F8 61.22(15) 6 6
F6 P2 F8 92.0(3) 6 6
F7 P2 F8 90.5(3) 6 6
F5 P2 F8 128.2(2) . 6
F4 P2 F8 140.52(16) . 6
F6 P2 F8 82.3(3) . 6
F7 P2 F8 80.8(3) . 6
F8 P2 F5 106.3(2) . 6
F6 P2 F5 90.2(2) 6 6
F7 P2 F5 89.1(2) 6 6
F5 P2 F5 163.6(3) . 6
F4 P2 F5 72.42(13) . 6
F6 P2 F5 70.15(19) . 6
F7 P2 F5 68.88(19) . 6
F8 P2 F5 68.11(19) 6 6
F6 F6 P2 90.26(16) 6 6
F6 F6 P2 69.58(15) 6 .
F7 F7 P2 90.11(16) 6 6
F7 F7 P2 69.50(15) 6 .
F8 F8 P2 80.58(17) 6 .
F8 F8 P2 61.22(15) 6 6
C5 N6 N7 129.0(2) . .
C5 N6 C2A 112.0(2) . .
N7 N6 C2A 118.9(2) . .
C5 N4 C3 112.2(3) . .
C5 N4 C11 123.7(2) . .
C3 N4 C11 124.0(3) . .
C8 N7 N6 128.9(2) . .
C8 N7 C10A 112.0(2) . .
N6 N7 C10A 119.0(2) . .
C8 N9 C10 112.5(2) . .
C8 N9 C25 124.3(2) . .
C10 N9 C25 122.5(2) . .
N4 C5 N6 103.2(2) . .
N4 C5 Au1 121.93(19) . .
N6 C5 Au1 134.5(2) . .
C3 C2A N6 104.9(2) . .
C3 C2A C2 133.9(3) . .
N6 C2A C2 121.1(3) . .
C2A C3 N4 107.6(3) . .
C17 C12 C13 118.5(5) . .
C17 C12 C11 122.8(3) . .
C13 C12 C11 118.7(4) . .
N4 C11 C12 114.2(3) . .
C16 C17 C12 120.2(4) . .
C17 C16 C15 120.1(5) . .
C14 C15 C16 119.7(6) . .
C15 C14 C13 120.4(4) . .
C14 C13 C12 121.1(5) . .
C1 C2 C2A 119.9(3) . .
C2 C1 C10A 119.2(3) . .
C10 C10A N7 105.2(2) . .
C10 C10A C1 133.2(3) . .
N7 C10A C1 121.5(3) . .
N9 C8 N7 103.0(2) . .
N9 C8 Au2 121.80(18) . .
N7 C8 Au2 135.05(18) . .
C10A C10 N9 107.3(2) . .
C18A C25 N9 115.3(3) . .
N9 C25 C18B 110.9(3) . .
C25 C18A C19A 114.7(2) . .
C25 C18A C23A 125.2(2) . .
C19A C18A C23A 120.0 . .
C18A C19A C20A 120.0 . .
C21A C20A C19A 120.0 . .
C20A C21A C22A 120.0 . .
C23A C22A C21A 120.0 . .
C22A C23A C18A 120.0 . .
C19B C18B C23B 120.0 . .
C19B C18B C25 119.49(18) . .
C23B C18B C25 120.44(18) . .
C18B C19B C20B 120.0 . .
C21B C20B C19B 120.0 . .
C20B C21B C22B 120.0 . .
C23B C22B C21B 120.0 . .
C22B C23B C18B 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C5 2.019(2) .
Au1 C5 2.019(2) 2_656
Au1 Au2 2.7793(2) .
Au2 C8 2.022(2) 2_656
Au2 C8 2.022(2) .
P1 F3 1.584(2) .
P1 F3 1.584(2) 2_655
P1 F1 1.594(2) .
P1 F1 1.594(2) 2_655
P1 F2 1.6079(18) .
P1 F2 1.6079(18) 2_655
P2 P2 0.597(2) 6
P2 F8 1.577(5) .
P2 F6 1.584(4) 6
P2 F7 1.588(4) 6
P2 F5 1.602(4) .
P2 F4 1.608(3) .
P2 F6 1.690(4) .
P2 F7 1.696(4) .
P2 F8 1.776(5) 6
P2 F5 2.192(4) 6
F4 P2 1.608(3) 6
F5 P2 2.192(4) 6
F6 F6 0.582(9) 6
F6 P2 1.584(4) 6
F7 F7 0.591(9) 6
F7 P2 1.588(4) 6
F8 F8 1.113(9) 6
F8 P2 1.776(5) 6
F5A P2 1.611(4) 6
N6 C5 1.363(3) .
N6 N7 1.386(3) .
N6 C2A 1.403(3) .
N4 C5 1.353(3) .
N4 C3 1.372(4) .
N4 C11 1.469(4) .
N7 C8 1.361(3) .
N7 C10A 1.405(3) .
N9 C8 1.355(3) .
N9 C10 1.373(3) .
N9 C25 1.461(4) .
C2A C3 1.352(5) .
C2A C2 1.439(4) .
C12 C17 1.390(6) .
C12 C13 1.400(5) .
C12 C11 1.498(7) .
C17 C16 1.388(7) .
C16 C15 1.397(6) .
C15 C14 1.371(10) .
C14 C13 1.371(9) .
C2 C1 1.330(5) .
C1 C10A 1.436(4) .
C10A C10 1.348(4) .
C25 C18A 1.331(5) .
C25 C18B 1.692(5) .
C18A C19A 1.3900 .
C18A C23A 1.3900 .
C19A C20A 1.3900 .
C20A C21A 1.3900 .
C21A C22A 1.3900 .
C22A C23A 1.3900 .
C18B C19B 1.3900 .
C18B C23B 1.3900 .
C19B C20B 1.3900 .
C20B C21B 1.3900 .
C21B C22B 1.3900 .
C22B C23B 1.3900 .
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_4
C5 Au1 Au2 C8 -160.09(11) . 2_656
C5 Au1 Au2 C8 19.91(11) 2_656 2_656
C5 Au1 Au2 C8 19.91(11) . .
C5 Au1 Au2 C8 -160.09(11) 2_656 .
F6 P2 F4 P2 90.23(16) 6 6
F7 P2 F4 P2 -89.97(16) 6 6
F5 P2 F4 P2 -179.00(16) . 6
F6 P2 F4 P2 70.32(16) . 6
F7 P2 F4 P2 -69.90(16) . 6
F8 P2 F4 P2 0.3(4) 6 6
F5 P2 F4 P2 -0.76(13) 6 6
F8 P2 F5 P2 -174.2(10) . 6
F6 P2 F5 P2 93.3(10) 6 6
F7 P2 F5 P2 -83.6(10) 6 6
F4 P2 F5 P2 5.9(10) . 6
F6 P2 F5 P2 89.9(10) . 6
F7 P2 F5 P2 -80.1(10) . 6
F8 P2 F5 P2 -173.5(12) 6 6
F5 P2 F5 P2 0.002(15) 6 6
P2 P2 F6 F6 180.0 6 6
F8 P2 F6 F6 -81.98(19) . 6
F7 P2 F6 F6 171.4(9) 6 6
F5 P2 F6 F6 10.14(19) . 6
F4 P2 F6 F6 99.17(10) . 6
F7 P2 F6 F6 175.7(5) . 6
F8 P2 F6 F6 -117.91(17) 6 6
F5 P2 F6 F6 172.65(13) 6 6
F8 P2 F6 P2 98.02(19) . 6
F6 P2 F6 P2 180.0 6 6
F7 P2 F6 P2 -8.6(9) 6 6
F5 P2 F6 P2 -169.86(19) . 6
F4 P2 F6 P2 -80.83(10) . 6
F7 P2 F6 P2 -4.3(5) . 6
F8 P2 F6 P2 62.09(17) 6 6
F5 P2 F6 P2 -7.35(13) 6 6
P2 P2 F7 F7 180.000(1) 6 6
F8 P2 F7 F7 81.39(19) . 6
F6 P2 F7 F7 -171.5(9) 6 6
F5 P2 F7 F7 -9.99(18) . 6
F4 P2 F7 F7 -99.89(10) . 6
F6 P2 F7 F7 -175.7(5) . 6
F8 P2 F7 F7 117.41(17) 6 6
F5 P2 F7 F7 -172.63(14) 6 6
F8 P2 F7 P2 -98.61(19) . 6
F6 P2 F7 P2 8.5(9) 6 6
F7 P2 F7 P2 180.0 6 6
F5 P2 F7 P2 170.01(18) . 6
F4 P2 F7 P2 80.11(10) . 6
F6 P2 F7 P2 4.3(5) . 6
F8 P2 F7 P2 -62.59(17) 6 6
F5 P2 F7 P2 7.37(14) 6 6
P2 P2 F8 F8 0.0 6 6
F6 P2 F8 F8 -90.14(17) 6 6
F7 P2 F8 F8 89.99(16) 6 6
F5 P2 F8 F8 179.04(17) . 6
F6 P2 F8 F8 -70.17(16) . 6
F7 P2 F8 F8 69.85(16) . 6
F5 P2 F8 F8 0.73(13) 6 6
F6 P2 F8 P2 -90.13(17) 6 6
F7 P2 F8 P2 90.00(16) 6 6
F5 P2 F8 P2 179.04(17) . 6
F6 P2 F8 P2 -70.17(16) . 6
F7 P2 F8 P2 69.85(16) . 6
F8 P2 F8 P2 0.002(1) 6 6
F5 P2 F8 P2 0.73(13) 6 6
C5 N6 N7 C8 7.2(4) . .
C2A N6 N7 C8 -171.0(3) . .
C5 N6 N7 C10A -176.9(3) . .
C2A N6 N7 C10A 4.9(4) . .
C3 N4 C5 N6 -1.5(4) . .
C11 N4 C5 N6 178.4(3) . .
C3 N4 C5 Au1 172.0(3) . .
C11 N4 C5 Au1 -8.1(5) . .
N7 N6 C5 N4 -176.5(3) . .
C2A N6 C5 N4 1.7(3) . .
N7 N6 C5 Au1 11.1(4) . .
C2A N6 C5 Au1 -170.6(2) . .
Au2 Au1 C5 N4 164.9(2) . .
Au2 Au1 C5 N6 -23.9(3) . .
C5 N6 C2A C3 -1.3(4) . .
N7 N6 C2A C3 177.2(3) . .
C5 N6 C2A C2 176.0(3) . .
N7 N6 C2A C2 -5.6(4) . .
N6 C2A C3 N4 0.2(4) . .
C2 C2A C3 N4 -176.5(4) . .
C5 N4 C3 C2A 0.8(5) . .
C11 N4 C3 C2A -179.1(4) . .
C5 N4 C11 C12 -67.2(4) . .
C3 N4 C11 C12 112.7(4) . .
C17 C12 C11 N4 -25.1(4) . .
C13 C12 C11 N4 158.5(3) . .
C13 C12 C17 C16 0.3(5) . .
C11 C12 C17 C16 -176.1(3) . .
C12 C17 C16 C15 0.6(6) . .
C17 C16 C15 C14 -0.9(7) . .
C16 C15 C14 C13 0.4(8) . .
C15 C14 C13 C12 0.5(7) . .
C17 C12 C13 C14 -0.8(6) . .
C11 C12 C13 C14 175.7(4) . .
C3 C2A C2 C1 178.3(4) . .
N6 C2A C2 C1 2.0(5) . .
C2A C2 C1 C10A 2.1(5) . .
C8 N7 C10A C10 -1.7(3) . .
N6 N7 C10A C10 -178.3(2) . .
C8 N7 C10A C1 175.6(3) . .
N6 N7 C10A C1 -0.9(4) . .
C2 C1 C10A C10 173.8(3) . .
C2 C1 C10A N7 -2.7(4) . .
C10 N9 C8 N7 -1.9(3) . .
C25 N9 C8 N7 -172.8(3) . .
C10 N9 C8 Au2 174.10(19) . .
C25 N9 C8 Au2 3.2(4) . .
N6 N7 C8 N9 178.3(2) . .
C10A N7 C8 N9 2.2(3) . .
N6 N7 C8 Au2 3.2(4) . .
C10A N7 C8 Au2 -173.0(2) . .
Au1 Au2 C8 N9 167.8(2) . .
Au1 Au2 C8 N7 -17.8(3) . .
N7 C10A C10 N9 0.5(3) . .
C1 C10A C10 N9 -176.4(3) . .
C8 N9 C10 C10A 0.9(3) . .
C25 N9 C10 C10A 172.0(3) . .
C8 N9 C25 C18A 81.8(4) . .
C10 N9 C25 C18A -88.2(4) . .
C8 N9 C25 C18B 92.5(3) . .
C10 N9 C25 C18B -77.5(3) . .
N9 C25 C18A C19A 179.19(19) . .
C18B C25 C18A C19A 111.3(3) . .
N9 C25 C18A C23A -4.1(4) . .
C18B C25 C18A C23A -72.0(3) . .
C25 C18A C19A C20A 176.9(3) . .
C23A C18A C19A C20A 0.0 . .
C18A C19A C20A C21A 0.0 . .
C19A C20A C21A C22A 0.0 . .
C20A C21A C22A C23A 0.0 . .
C21A C22A C23A C18A 0.0 . .
C25 C18A C23A C22A -176.5(3) . .
C19A C18A C23A C22A 0.0 . .
C18A C25 C18B C19B -98.4(3) . .
N9 C25 C18B C19B 145.29(19) . .
C18A C25 C18B C23B 84.6(3) . .
N9 C25 C18B C23B -31.7(3) . .
C23B C18B C19B C20B 0.0 . .
C25 C18B C19B C20B -177.0(2) . .
C18B C19B C20B C21B 0.0 . .
C19B C20B C21B C22B 0.0 . .
C20B C21B C22B C23B 0.0 . .
C21B C22B C23B C18B 0.0 . .
C19B C18B C23B C22B 0.0 . .
C25 C18B C23B C22B 177.0(2) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 195 39 ' '
2 0.500 0.500 0.000 195 39 ' '
