#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:00:54 +0300 (Wed, 05 May 2021) $
#$Revision: 264857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/80/7128005.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_7128005
loop_
_publ_author_name
'Fetzer, Florian'
'Schrenk, Claudio'
'Pollard, Nia'
'Adeagbo, Adebola'
'Clayborne, Andre Z.'
'Schnepf, Andreas'
_publ_section_title
;
 A new reductant in gold cluster chemistry gives a superatomic gold
 gallium cluster.
;
_journal_issue                   29
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3551
_journal_page_last               3554
_journal_paper_doi               10.1039/d0cc07006h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety
'C144 H120 Au9 Cl2 Ga P8, 1.25(C5 H5 Cl3 Ga), 0.75(Cl4 Ga)'
_chemical_formula_sum            'C150.23 H126.23 Au9 Cl8.76 Ga3 P8'
_chemical_formula_weight         4471.45
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-08-31
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-09-17 deposited with the CCDC.	2021-03-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.4410(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.0956(13)
_cell_length_b                   15.1623(6)
_cell_length_c                   33.4620(14)
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    150
_cell_measurement_theta_max      24.160
_cell_measurement_theta_min      2.388
_cell_volume                     15643.8(11)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0702
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            81808
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.499
_diffrn_reflns_theta_max         24.499
_diffrn_reflns_theta_min         1.650
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    9.188
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4207
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0840 before and 0.0453 after correction. The Ratio of minimum to maximum transmission is 0.6490. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.899
_exptl_crystal_description       plate
_exptl_crystal_F_000             8402
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene, thf, Et2O'
_exptl_crystal_size_max          0.274
_exptl_crystal_size_mid          0.194
_exptl_crystal_size_min          0.061
_refine_diff_density_max         2.810
_refine_diff_density_min         -1.199
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     857
_refine_ls_number_reflns         13018
_refine_ls_number_restraints     130
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0403P)²+363.2322P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1149
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10013
_reflns_number_total             13018
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc07006h2.cif
_cod_data_source_block           61_sq
_cod_depositor_comments          'Adding full bibliography for 7128005.cif.'
_cod_database_code               7128005
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C501-C505 \\sim C502-C501 \\sim C505-C504 \\sim C502-C503 \\sim C504-C503
 with sigma of 0.02
 C505-C503 \\sim C501-C504 \\sim C502-C504 \\sim C502-C505 \\sim C501-C503
 with sigma of 0.04
3. Restrained planarity
 C501, C502, C503, C504, C505
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Cl23 \\sim Cl32: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
Cl22 \\sim Cl31: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C501 \\sim C502 \\sim C503 \\sim C504 \\sim C505: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08
Ga2 \\sim Ga3: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl33 \\sim Cl34: within 4A with sigma of 0.01 and sigma for terminal atoms of
0.02
C505 \\sim Cl34: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(Cl34) \\sim Ueq, Uanis(Cl33) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C201) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C501, C502, C503, C504, C505
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: Ga2(0.62287) Cl21(0.62287) Cl22(0.62287) Cl23(0.62287)
 C502(0.62287) H502(0.62287) C501(0.62287) H501(0.62287) C503(0.62287)
 H503(0.62287) C504(0.62287) H504(0.62287) C505(0.62287) H505(0.62287)
 Ga3(0.37713) Cl31(0.37713) Cl32(0.37713) Cl33(0.37713) Cl34(0.37713)
7.a Free rotating group:
 C502(C501,C503,C504,C505)
7.b Ternary CH refined with riding coordinates:
 C501(H501)
7.c Aromatic/amide H refined with riding coordinates:
 C102(H102), C103(H103), C104(H104), C105(H105), C106(H106), C108(H108),
 C109(H109), C110(H110), C111(H111), C112(H112), C114(H114), C115(H115),
 C116(H116), C117(H117), C118(H118), C202(H202), C203(H203), C204(H204),
 C205(H205), C206(H206), C208(H208), C209(H209), C210(H210), C211(H211),
 C212(H212), C214(H214), C215(H215), C216(H216), C217(H217), C218(H218),
 C302(H302), C303(H303), C304(H304), C305(H305), C306(H306), C308(H308),
 C309(H309), C310(H310), C311(H311), C312(H312), C314(H314), C315(H315),
 C316(H316), C317(H317), C318(H318), C402(H402), C403(H403), C404(H404),
 C405(H405), C406(H406), C408(H408), C409(H409), C410(H410), C411(H411),
 C412(H412), C414(H414), C415(H415), C416(H416), C417(H417), C418(H418),
 C502(H502), C503(H503), C504(H504), C505(H505)
;
_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Au1 Au 0.54447(2) 0.64261(3) 0.77932(2) 0.03493(12) Uani 1 1 d . . . . .
Au2 Au 0.50101(2) 0.52933(3) 0.83057(2) 0.03015(11) Uani 1 1 d . . . . .
Au3 Au 0.42317(2) 0.52263(3) 0.77599(2) 0.03133(12) Uani 1 1 d . . . . .
Au4 Au 0.43552(2) 0.42387(3) 0.70356(2) 0.03253(12) Uani 1 1 d . . . . .
Au5 Au 0.5000 0.50448(3) 0.7500 0.02332(14) Uani 1 2 d S T P . .
Ga1 Ga 0.5000 0.34180(11) 0.7500 0.0365(4) Uani 1 2 d S T P . .
Cl1 Cl 0.46352(12) 0.2524(2) 0.78474(10) 0.0594(9) Uani 1 1 d . . . . .
P1 P 0.57915(11) 0.7665(2) 0.80500(9) 0.0382(7) Uani 1 1 d . . . . .
P2 P 0.50072(10) 0.5209(2) 0.89916(8) 0.0363(7) Uani 1 1 d . . . . .
P3 P 0.35699(10) 0.5380(2) 0.79784(9) 0.0363(7) Uani 1 1 d . . . . .
P4 P 0.38339(11) 0.3344(2) 0.66886(9) 0.0410(8) Uani 1 1 d . . . . .
C101 C 0.5719(4) 0.8634(8) 0.7727(4) 0.044(3) Uani 1 1 d . . . . .
C102 C 0.5465(5) 0.8570(8) 0.7354(4) 0.060(4) Uani 1 1 d . . . . .
H102 H 0.5345 0.8018 0.7264 0.072 Uiso 1 1 calc R . . . .
C103 C 0.5389(6) 0.9305(10) 0.7114(5) 0.081(5) Uani 1 1 d . . . . .
H103 H 0.5212 0.9261 0.6861 0.097 Uiso 1 1 calc R . . . .
C104 C 0.5565(6) 1.0094(10) 0.7239(5) 0.080(5) Uani 1 1 d . . . . .
H104 H 0.5519 1.0597 0.7070 0.097 Uiso 1 1 calc R . . . .
C105 C 0.5806(6) 1.0164(9) 0.7602(5) 0.068(4) Uani 1 1 d . . . . .
H105 H 0.5922 1.0722 0.7689 0.081 Uiso 1 1 calc R . . . .
C106 C 0.5886(5) 0.9445(9) 0.7850(4) 0.059(4) Uani 1 1 d . . . . .
H106 H 0.6056 0.9506 0.8105 0.071 Uiso 1 1 calc R . . . .
C107 C 0.6372(4) 0.7588(8) 0.8168(4) 0.044(3) Uani 1 1 d . . . . .
C108 C 0.6641(4) 0.7791(8) 0.7886(4) 0.049(3) Uani 1 1 d . . . . .
H108 H 0.6517 0.7977 0.7625 0.058 Uiso 1 1 calc R . . . .
C109 C 0.7086(5) 0.7730(9) 0.7973(5) 0.064(4) Uani 1 1 d . . . . .
H109 H 0.7264 0.7895 0.7775 0.076 Uiso 1 1 calc R . . . .
C110 C 0.7272(5) 0.7438(10) 0.8338(5) 0.067(4) Uani 1 1 d . . . . .
H110 H 0.7578 0.7422 0.8400 0.081 Uiso 1 1 calc R . . . .
C111 C 0.7011(5) 0.7166(10) 0.8617(4) 0.060(4) Uani 1 1 d . . . . .
H111 H 0.7138 0.6933 0.8869 0.072 Uiso 1 1 calc R . . . .
C112 C 0.6567(5) 0.7234(10) 0.8530(4) 0.060(4) Uani 1 1 d . . . . .
H112 H 0.6389 0.7034 0.8722 0.072 Uiso 1 1 calc R . . . .
C113 C 0.5596(4) 0.8013(7) 0.8514(3) 0.044(3) Uani 1 1 d . . . . .
C114 C 0.5843(5) 0.8495(8) 0.8810(4) 0.052(3) Uani 1 1 d . . . . .
H114 H 0.6135 0.8642 0.8781 0.063 Uiso 1 1 calc R . . . .
C115 C 0.5664(5) 0.8767(10) 0.9151(4) 0.065(4) Uani 1 1 d . . . . .
H115 H 0.5834 0.9095 0.9356 0.078 Uiso 1 1 calc R . . . .
C116 C 0.5244(6) 0.8564(10) 0.9191(4) 0.067(4) Uani 1 1 d . . . . .
H116 H 0.5121 0.8759 0.9421 0.080 Uiso 1 1 calc R . . . .
C117 C 0.4999(5) 0.8075(9) 0.8899(4) 0.057(4) Uani 1 1 d . . . . .
H117 H 0.4706 0.7939 0.8925 0.068 Uiso 1 1 calc R . . . .
C118 C 0.5184(4) 0.7777(8) 0.8563(3) 0.042(3) Uani 1 1 d . . . . .
H118 H 0.5022 0.7411 0.8369 0.051 Uiso 1 1 calc R . . . .
C201 C 0.5518(4) 0.5371(8) 0.9301(3) 0.040(3) Uani 1 1 d . U . . .
C202 C 0.5739(4) 0.6164(9) 0.9282(4) 0.051(3) Uani 1 1 d . . . . .
H202 H 0.5638 0.6582 0.9080 0.061 Uiso 1 1 calc R . . . .
C203 C 0.6099(5) 0.6356(11) 0.9548(4) 0.068(4) Uani 1 1 d . . . . .
H203 H 0.6235 0.6916 0.9538 0.082 Uiso 1 1 calc R . . . .
C204 C 0.6267(5) 0.5741(13) 0.9832(4) 0.076(5) Uani 1 1 d . . . . .
H204 H 0.6518 0.5867 1.0017 0.091 Uiso 1 1 calc R . . . .
C205 C 0.6063(5) 0.4962(13) 0.9840(4) 0.075(5) Uani 1 1 d . . . . .
H205 H 0.6181 0.4535 1.0031 0.090 Uiso 1 1 calc R . . . .
C206 C 0.5689(4) 0.4742(10) 0.9584(4) 0.059(4) Uani 1 1 d . . . . .
H206 H 0.5555 0.4183 0.9601 0.071 Uiso 1 1 calc R . . . .
C207 C 0.4654(4) 0.5969(8) 0.9211(3) 0.040(3) Uani 1 1 d . . . . .
C208 C 0.4788(4) 0.6455(9) 0.9560(3) 0.050(3) Uani 1 1 d . . . . .
H208 H 0.5075 0.6396 0.9695 0.060 Uiso 1 1 calc R . . . .
C209 C 0.4498(5) 0.7021(9) 0.9707(4) 0.062(4) Uani 1 1 d . . . . .
H209 H 0.4587 0.7340 0.9948 0.074 Uiso 1 1 calc R . . . .
C210 C 0.4093(5) 0.7134(10) 0.9517(4) 0.063(4) Uani 1 1 d . . . . .
H210 H 0.3903 0.7549 0.9614 0.075 Uiso 1 1 calc R . . . .
C211 C 0.3961(5) 0.6636(12) 0.9180(4) 0.078(5) Uani 1 1 d . . . . .
H211 H 0.3672 0.6695 0.9050 0.093 Uiso 1 1 calc R . . . .
C212 C 0.4233(5) 0.6063(10) 0.9031(4) 0.062(4) Uani 1 1 d . . . . .
H212 H 0.4132 0.5722 0.8799 0.074 Uiso 1 1 calc R . . . .
C213 C 0.4838(3) 0.4128(7) 0.9117(3) 0.032(3) Uani 1 1 d . . . . .
C214 C 0.4621(5) 0.3958(9) 0.9461(3) 0.054(4) Uani 1 1 d . . . . .
H214 H 0.4561 0.4434 0.9630 0.065 Uiso 1 1 calc R . . . .
C215 C 0.4501(5) 0.3134(10) 0.9550(4) 0.062(4) Uani 1 1 d . . . . .
H215 H 0.4352 0.3040 0.9777 0.074 Uiso 1 1 calc R . . . .
C216 C 0.4591(4) 0.2427(9) 0.9316(4) 0.056(4) Uani 1 1 d . . . . .
H216 H 0.4525 0.1843 0.9391 0.067 Uiso 1 1 calc R . . . .
C217 C 0.4777(5) 0.2581(9) 0.8976(4) 0.064(4) Uani 1 1 d . . . . .
H217 H 0.4819 0.2104 0.8801 0.077 Uiso 1 1 calc R . . . .
C218 C 0.4902(4) 0.3403(9) 0.8883(4) 0.054(4) Uani 1 1 d . . . . .
H218 H 0.5039 0.3483 0.8648 0.065 Uiso 1 1 calc R . . . .
C301 C 0.3484(4) 0.6520(9) 0.8112(3) 0.045(3) Uani 1 1 d . . . . .
C302 C 0.3832(4) 0.7093(9) 0.8184(4) 0.057(4) Uani 1 1 d . . . . .
H302 H 0.4117 0.6891 0.8159 0.068 Uiso 1 1 calc R . . . .
C303 C 0.3769(5) 0.7936(11) 0.8289(5) 0.082(5) Uani 1 1 d . . . . .
H303 H 0.4011 0.8319 0.8343 0.099 Uiso 1 1 calc R . . . .
C304 C 0.3364(6) 0.8247(11) 0.8319(6) 0.092(6) Uani 1 1 d . . . . .
H304 H 0.3325 0.8845 0.8391 0.110 Uiso 1 1 calc R . . . .
C305 C 0.3012(5) 0.7704(10) 0.8245(5) 0.072(5) Uani 1 1 d . . . . .
H305 H 0.2730 0.7921 0.8269 0.087 Uiso 1 1 calc R . . . .
C306 C 0.3068(5) 0.6845(9) 0.8134(4) 0.057(4) Uani 1 1 d . . . . .
H306 H 0.2823 0.6471 0.8073 0.068 Uiso 1 1 calc R . . . .
C307 C 0.3496(4) 0.4690(8) 0.8411(3) 0.039(3) Uani 1 1 d . . . . .
C308 C 0.3228(5) 0.4890(10) 0.8683(4) 0.067(4) Uani 1 1 d . . . . .
H308 H 0.3075 0.5434 0.8659 0.081 Uiso 1 1 calc R . . . .
C309 C 0.3170(6) 0.4328(12) 0.8992(5) 0.080(5) Uani 1 1 d . . . . .
H309 H 0.2979 0.4479 0.9182 0.096 Uiso 1 1 calc R . . . .
C310 C 0.3389(6) 0.3553(12) 0.9023(4) 0.078(5) Uani 1 1 d . . . . .
H310 H 0.3351 0.3159 0.9236 0.093 Uiso 1 1 calc R . . . .
C311 C 0.3660(5) 0.3332(9) 0.8756(4) 0.055(4) Uani 1 1 d . . . . .
H311 H 0.3808 0.2784 0.8780 0.066 Uiso 1 1 calc R . . . .
C312 C 0.3722(4) 0.3908(8) 0.8448(4) 0.044(3) Uani 1 1 d . . . . .
H312 H 0.3919 0.3764 0.8263 0.053 Uiso 1 1 calc R . . . .
C313 C 0.3116(4) 0.5135(7) 0.7610(3) 0.036(3) Uani 1 1 d . . . . .
C314 C 0.2741(4) 0.4741(8) 0.7699(4) 0.046(3) Uani 1 1 d . . . . .
H314 H 0.2717 0.4557 0.7966 0.056 Uiso 1 1 calc R . . . .
C315 C 0.2399(4) 0.4614(8) 0.7396(4) 0.054(3) Uani 1 1 d . . . . .
H315 H 0.2140 0.4344 0.7457 0.065 Uiso 1 1 calc R . . . .
C316 C 0.2431(5) 0.4869(8) 0.7015(4) 0.057(4) Uani 1 1 d . . . . .
H316 H 0.2192 0.4786 0.6812 0.068 Uiso 1 1 calc R . . . .
C317 C 0.2801(5) 0.5244(9) 0.6916(4) 0.055(4) Uani 1 1 d . . . . .
H317 H 0.2824 0.5409 0.6646 0.066 Uiso 1 1 calc R . . . .
C318 C 0.3137(5) 0.5379(9) 0.7211(4) 0.056(4) Uani 1 1 d . . . . .
H318 H 0.3395 0.5646 0.7144 0.067 Uiso 1 1 calc R . . . .
C401 C 0.3554(4) 0.2693(7) 0.7023(3) 0.037(3) Uani 1 1 d . . . . .
C402 C 0.3500(4) 0.3019(9) 0.7396(4) 0.050(3) Uani 1 1 d . . . . .
H402 H 0.3627 0.3568 0.7480 0.060 Uiso 1 1 calc R . . . .
C403 C 0.3262(5) 0.2563(9) 0.7650(4) 0.056(4) Uani 1 1 d . . . . .
H403 H 0.3223 0.2800 0.7905 0.067 Uiso 1 1 calc R . . . .
C404 C 0.3082(4) 0.1766(9) 0.7527(4) 0.057(4) Uani 1 1 d . . . . .
H404 H 0.2919 0.1446 0.7700 0.068 Uiso 1 1 calc R . . . .
C405 C 0.3137(4) 0.1428(9) 0.7155(4) 0.058(4) Uani 1 1 d . . . . .
H405 H 0.3014 0.0872 0.7073 0.069 Uiso 1 1 calc R . . . .
C406 C 0.3368(4) 0.1887(9) 0.6901(4) 0.049(3) Uani 1 1 d . . . . .
H406 H 0.3400 0.1656 0.6643 0.059 Uiso 1 1 calc R . . . .
C407 C 0.3418(4) 0.3898(9) 0.6353(4) 0.046(3) Uani 1 1 d . . . . .
C408 C 0.3011(4) 0.3514(9) 0.6247(4) 0.057(4) Uani 1 1 d . . . . .
H408 H 0.2951 0.2953 0.6353 0.068 Uiso 1 1 calc R . . . .
C409 C 0.2695(5) 0.3939(10) 0.5991(5) 0.068(4) Uani 1 1 d . . . . .
H409 H 0.2416 0.3676 0.5932 0.082 Uiso 1 1 calc R . . . .
C410 C 0.2773(5) 0.4716(11) 0.5823(4) 0.067(4) Uani 1 1 d . . . . .
H410 H 0.2558 0.4994 0.5638 0.080 Uiso 1 1 calc R . . . .
C411 C 0.3177(5) 0.5104(10) 0.5929(4) 0.063(4) Uani 1 1 d . . . . .
H411 H 0.3236 0.5657 0.5814 0.075 Uiso 1 1 calc R . . . .
C412 C 0.3493(4) 0.4711(8) 0.6194(4) 0.049(3) Uani 1 1 d . . . . .
H412 H 0.3762 0.5000 0.6268 0.059 Uiso 1 1 calc R . . . .
C413 C 0.4049(4) 0.2526(8) 0.6374(4) 0.044(3) Uani 1 1 d . . . . .
C414 C 0.3940(5) 0.2515(10) 0.5952(4) 0.066(4) Uani 1 1 d . . . . .
H414 H 0.3764 0.2972 0.5824 0.079 Uiso 1 1 calc R . . . .
C415 C 0.4084(6) 0.1853(12) 0.5725(5) 0.076(5) Uani 1 1 d . . . . .
H415 H 0.4012 0.1848 0.5440 0.091 Uiso 1 1 calc R . . . .
C416 C 0.4339(6) 0.1186(11) 0.5921(5) 0.080(5) Uani 1 1 d . . . . .
H416 H 0.4438 0.0719 0.5767 0.096 Uiso 1 1 calc R . . . .
C417 C 0.4452(5) 0.1188(10) 0.6336(5) 0.071(4) Uani 1 1 d . . . . .
H417 H 0.4623 0.0725 0.6464 0.085 Uiso 1 1 calc R . . . .
C418 C 0.4313(4) 0.1864(8) 0.6560(4) 0.052(3) Uani 1 1 d . . . . .
H418 H 0.4398 0.1880 0.6843 0.062 Uiso 1 1 calc R . . . .
Ga2 Ga 0.61786(9) 0.99206(18) 1.03948(9) 0.0540(7) Uani 0.6229 1 d . U . A 1
Cl21 Cl 0.5549(2) 1.0302(5) 1.00851(18) 0.0788(19) Uani 0.6229 1 d . . . A 1
Cl22 Cl 0.6265(13) 0.861(2) 1.0211(9) 0.100(5) Uani 0.6229 1 d . U . A 1
Cl23 Cl 0.6663(6) 1.0777(12) 1.0166(4) 0.100(4) Uani 0.6229 1 d . U . A 1
C502 C 0.6609(5) 0.9728(12) 1.1133(5) 0.068(5) Uani 0.6229 1 d D U . A 1
H502 H 0.6887 0.9876 1.1066 0.082 Uiso 0.6229 1 calc R . . A 1
C501 C 0.6214(7) 1.0154(10) 1.0986(5) 0.075(5) Uani 0.6229 1 d DG U . A 1
H501 H 0.6226 1.0801 1.1046 0.090 Uiso 0.6229 1 calc R . . A 1
C503 C 0.6515(6) 0.9044(10) 1.1397(4) 0.070(5) Uani 0.6229 1 d DG U . A 1
H503 H 0.6719 0.8653 1.1538 0.085 Uiso 0.6229 1 calc R . . A 1
C504 C 0.6061(6) 0.9047(12) 1.1415(5) 0.080(6) Uani 0.6229 1 d DG U . A 1
H504 H 0.5909 0.8659 1.1570 0.096 Uiso 0.6229 1 calc R . . A 1
C505 C 0.5875(5) 0.9732(14) 1.1160(6) 0.117(7) Uani 0.6229 1 d DG U . A 1
H505 H 0.5576 0.9882 1.1114 0.140 Uiso 0.6229 1 calc R . . A 1
Ga3 Ga 0.6374(4) 0.9681(6) 1.0583(3) 0.152(3) Uani 0.3771 1 d . U . B 2
Cl31 Cl 0.630(2) 0.848(4) 1.0193(16) 0.121(9) Uani 0.3771 1 d . U . B 2
Cl32 Cl 0.6620(13) 1.086(3) 1.0369(11) 0.190(16) Uani 0.3771 1 d . U . B 2
Cl33 Cl 0.6823(11) 0.913(2) 1.1072(10) 0.258(10) Uani 0.3771 1 d . U . B 2
Cl34 Cl 0.5769(11) 1.008(2) 1.0928(10) 0.237(9) Uani 0.3771 1 d . U . 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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 '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'
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
Au2 Au1 Au1 85.979(18) . 2_656 ?
Au3 Au1 Au1 87.218(17) 2_656 2_656 ?
Au3 Au1 Au2 103.681(18) 2_656 . ?
Au5 Au1 Au1 52.821(12) . 2_656 ?
Au5 Au1 Au2 58.877(12) . . ?
Au5 Au1 Au3 57.687(12) . 2_656 ?
P1 Au1 Au1 124.37(8) . 2_656 ?
P1 Au1 Au2 120.14(8) . . ?
P1 Au1 Au3 125.29(8) . 2_656 ?
P1 Au1 Au5 176.55(8) . . ?
Au1 Au2 Au4 72.408(16) . 2_656 ?
Au3 Au2 Au1 93.717(17) . . ?
Au3 Au2 Au4 107.171(17) . 2_656 ?
Au5 Au2 Au1 55.870(14) . . ?
Au5 Au2 Au3 57.152(12) . . ?
Au5 Au2 Au4 56.758(13) . 2_656 ?
P2 Au2 Au1 133.58(8) . . ?
P2 Au2 Au3 121.79(8) . . ?
P2 Au2 Au4 117.06(8) . 2_656 ?
P2 Au2 Au5 168.80(8) . . ?
Au1 Au3 Au4 72.211(15) 2_656 . ?
Au2 Au3 Au1 92.942(18) . 2_656 ?
Au2 Au3 Au4 111.101(18) . . ?
Au5 Au3 Au1 56.621(15) . 2_656 ?
Au5 Au3 Au2 59.143(12) . . ?
Au5 Au3 Au4 56.961(13) . . ?
P3 Au3 Au1 123.21(8) . 2_656 ?
P3 Au3 Au2 121.27(8) . . ?
P3 Au3 Au4 122.66(8) . . ?
P3 Au3 Au5 179.58(8) . . ?
Au2 Au4 Au3 102.389(17) 2_656 . ?
Au5 Au4 Au2 58.415(12) . 2_656 ?
Au5 Au4 Au3 56.682(12) . . ?
Au5 Au4 Ga1 54.93(3) . . ?
Ga1 Au4 Au2 89.31(3) . 2_656 ?
Ga1 Au4 Au3 85.73(2) . . ?
P4 Au4 Au2 126.72(8) . 2_656 ?
P4 Au4 Au3 124.08(8) . . ?
P4 Au4 Au5 171.02(9) . . ?
P4 Au4 Ga1 116.29(9) . . ?
Au1 Au5 Au1 74.36(2) . 2_656 ?
Au1 Au5 Au2 65.256(14) 2_656 2_656 ?
Au1 Au5 Au2 101.406(18) 2_656 . ?
Au1 Au5 Au2 101.405(18) . 2_656 ?
Au1 Au5 Au2 65.254(15) . . ?
Au1 Au5 Au3 104.288(19) 2_656 2_656 ?
Au1 Au5 Au3 65.693(15) . 2_656 ?
Au1 Au5 Au3 65.690(15) 2_656 . ?
Au1 Au5 Au3 104.287(19) . . ?
Au1 Au5 Au4 80.112(15) 2_656 . ?
Au1 Au5 Au4 154.35(2) . . ?
Au1 Au5 Au4 80.111(15) . 2_656 ?
Au1 Au5 Au4 154.35(2) 2_656 2_656 ?
Au2 Au5 Au2 164.07(3) 2_656 . ?
Au3 Au5 Au2 114.479(13) 2_656 . ?
Au3 Au5 Au2 63.705(13) . . ?
Au3 Au5 Au2 63.701(13) 2_656 2_656 ?
Au3 Au5 Au2 114.478(13) . 2_656 ?
Au3 Au5 Au3 168.12(3) 2_656 . ?
Au3 Au5 Au4 66.358(13) 2_656 2_656 ?
Au3 Au5 Au4 66.357(13) . . ?
Au3 Au5 Au4 119.720(15) 2_656 . ?
Au3 Au5 Au4 119.723(14) . 2_656 ?
Au4 Au5 Au2 64.826(13) . 2_656 ?
Au4 Au5 Au2 123.527(14) . . ?
Au4 Au5 Au2 123.525(14) 2_656 2_656 ?
Au4 Au5 Au2 64.825(13) 2_656 . ?
Au4 Au5 Au4 125.49(3) . 2_656 ?
Ga1 Au5 Au1 142.821(13) . . ?
Ga1 Au5 Au1 142.820(13) . 2_656 ?
Ga1 Au5 Au2 97.966(14) . 2_656 ?
Ga1 Au5 Au2 97.966(14) . . ?
Ga1 Au5 Au3 95.938(15) . . ?
Ga1 Au5 Au3 95.938(14) . 2_656 ?
Ga1 Au5 Au4 62.744(14) . . ?
Ga1 Au5 Au4 62.745(14) . 2_656 ?
Au4 Ga1 Au4 124.64(7) . 2_656 ?
Au5 Ga1 Au4 62.32(3) . 2_656 ?
Au5 Ga1 Au4 62.32(3) . . ?
Cl1 Ga1 Au4 101.22(10) 2_656 2_656 ?
Cl1 Ga1 Au4 101.22(10) . . ?
Cl1 Ga1 Au4 112.27(9) 2_656 . ?
Cl1 Ga1 Au4 112.27(9) . 2_656 ?
Cl1 Ga1 Au5 128.13(10) 2_656 . ?
Cl1 Ga1 Au5 128.13(10) . . ?
Cl1 Ga1 Cl1 103.7(2) . 2_656 ?
C101 P1 Au1 115.2(4) . . ?
C107 P1 Au1 116.2(4) . . ?
C107 P1 C101 103.1(6) . . ?
C107 P1 C113 105.5(6) . . ?
C113 P1 Au1 111.6(4) . . ?
C113 P1 C101 104.1(5) . . ?
C201 P2 Au2 116.7(4) . . ?
C201 P2 C207 102.5(5) . . ?
C207 P2 Au2 116.8(4) . . ?
C213 P2 Au2 109.0(3) . . ?
C213 P2 C201 104.7(5) . . ?
C213 P2 C207 106.0(5) . . ?
C301 P3 Au3 110.1(4) . . ?
C301 P3 C307 108.3(6) . . ?
C307 P3 Au3 114.0(4) . . ?
C313 P3 Au3 114.9(4) . . ?
C313 P3 C301 103.8(5) . . ?
C313 P3 C307 104.9(5) . . ?
C401 P4 Au4 112.0(4) . . ?
C401 P4 C407 106.1(6) . . ?
C401 P4 C413 103.3(5) . . ?
C407 P4 Au4 116.0(4) . . ?
C407 P4 C413 104.2(6) . . ?
C413 P4 Au4 114.0(4) . . ?
C102 C101 P1 119.3(9) . . ?
C106 C101 P1 122.0(10) . . ?
C106 C101 C102 118.6(12) . . ?
C101 C102 H102 119.9 . . ?
C103 C102 C101 120.1(12) . . ?
C103 C102 H102 119.9 . . ?
C102 C103 H103 119.9 . . ?
C104 C103 C102 120.1(15) . . ?
C104 C103 H103 119.9 . . ?
C103 C104 H104 120.0 . . ?
C105 C104 C103 120.1(14) . . ?
C105 C104 H104 120.0 . . ?
C104 C105 H105 119.4 . . ?
C104 C105 C106 121.3(13) . . ?
C106 C105 H105 119.4 . . ?
C101 C106 H106 120.1 . . ?
C105 C106 C101 119.8(13) . . ?
C105 C106 H106 120.1 . . ?
C108 C107 P1 121.1(10) . . ?
C108 C107 C112 116.7(12) . . ?
C112 C107 P1 121.8(10) . . ?
C107 C108 H108 119.2 . . ?
C107 C108 C109 121.6(13) . . ?
C109 C108 H108 119.2 . . ?
C108 C109 H109 119.7 . . ?
C110 C109 C108 120.6(15) . . ?
C110 C109 H109 119.7 . . ?
C109 C110 H110 120.3 . . ?
C109 C110 C111 119.4(15) . . ?
C111 C110 H110 120.3 . . ?
C110 C111 H111 120.2 . . ?
C110 C111 C112 119.6(14) . . ?
C112 C111 H111 120.2 . . ?
C107 C112 H112 119.2 . . ?
C111 C112 C107 121.6(13) . . ?
C111 C112 H112 119.2 . . ?
C114 C113 P1 123.3(10) . . ?
C118 C113 P1 116.7(9) . . ?
C118 C113 C114 120.0(11) . . ?
C113 C114 H114 120.1 . . ?
C113 C114 C115 119.8(13) . . ?
C115 C114 H114 120.1 . . ?
C114 C115 H115 119.9 . . ?
C116 C115 C114 120.2(13) . . ?
C116 C115 H115 119.9 . . ?
C115 C116 H116 120.0 . . ?
C115 C116 C117 120.0(13) . . ?
C117 C116 H116 120.0 . . ?
C116 C117 H117 120.1 . . ?
C116 C117 C118 119.8(14) . . ?
C118 C117 H117 120.1 . . ?
C113 C118 C117 120.1(12) . . ?
C113 C118 H118 120.0 . . ?
C117 C118 H118 120.0 . . ?
C202 C201 P2 119.8(9) . . ?
C202 C201 C206 118.3(12) . . ?
C206 C201 P2 121.8(10) . . ?
C201 C202 H202 119.3 . . ?
C203 C202 C201 121.4(13) . . ?
C203 C202 H202 119.3 . . ?
C202 C203 H203 119.8 . . ?
C202 C203 C204 120.5(15) . . ?
C204 C203 H203 119.8 . . ?
C203 C204 H204 121.0 . . ?
C205 C204 C203 118.0(14) . . ?
C205 C204 H204 121.0 . . ?
C204 C205 H205 118.1 . . ?
C204 C205 C206 123.9(15) . . ?
C206 C205 H205 118.1 . . ?
C201 C206 H206 121.1 . . ?
C205 C206 C201 117.8(15) . . ?
C205 C206 H206 121.1 . . ?
C208 C207 P2 123.0(10) . . ?
C212 C207 P2 118.7(9) . . ?
C212 C207 C208 118.4(11) . . ?
C207 C208 H208 120.4 . . ?
C209 C208 C207 119.2(13) . . ?
C209 C208 H208 120.4 . . ?
C208 C209 H209 119.1 . . ?
C210 C209 C208 121.7(13) . . ?
C210 C209 H209 119.1 . . ?
C209 C210 H210 120.6 . . ?
C209 C210 C211 118.7(14) . . ?
C211 C210 H210 120.6 . . ?
C210 C211 H211 119.3 . . ?
C212 C211 C210 121.3(15) . . ?
C212 C211 H211 119.3 . . ?
C207 C212 H212 119.7 . . ?
C211 C212 C207 120.6(13) . . ?
C211 C212 H212 119.7 . . ?
C214 C213 P2 122.6(9) . . ?
C218 C213 P2 121.9(9) . . ?
C218 C213 C214 115.5(11) . . ?
C213 C214 H214 119.4 . . ?
C215 C214 C213 121.2(12) . . ?
C215 C214 H214 119.4 . . ?
C214 C215 H215 119.6 . . ?
C214 C215 C216 120.8(13) . . ?
C216 C215 H215 119.6 . . ?
C215 C216 H216 120.6 . . ?
C217 C216 C215 118.8(13) . . ?
C217 C216 H216 120.6 . . ?
C216 C217 H217 119.5 . . ?
C218 C217 C216 121.0(14) . . ?
C218 C217 H217 119.5 . . ?
C213 C218 H218 118.8 . . ?
C217 C218 C213 122.4(12) . . ?
C217 C218 H218 118.8 . . ?
C302 C301 P3 120.2(10) . . ?
C302 C301 C306 118.6(13) . . ?
C306 C301 P3 121.2(10) . . ?
C301 C302 H302 119.9 . . ?
C303 C302 C301 120.2(14) . . ?
C303 C302 H302 119.9 . . ?
C302 C303 H303 119.5 . . ?
C302 C303 C304 121.1(16) . . ?
C304 C303 H303 119.5 . . ?
C303 C304 H304 119.9 . . ?
C303 C304 C305 120.3(15) . . ?
C305 C304 H304 119.9 . . ?
C304 C305 H305 120.1 . . ?
C304 C305 C306 119.8(15) . . ?
C306 C305 H305 120.1 . . ?
C301 C306 H306 120.0 . . ?
C305 C306 C301 120.0(14) . . ?
C305 C306 H306 120.0 . . ?
C308 C307 P3 124.1(10) . . ?
C308 C307 C312 119.2(12) . . ?
C312 C307 P3 116.7(9) . . ?
C307 C308 H308 119.2 . . ?
C307 C308 C309 121.7(14) . . ?
C309 C308 H308 119.2 . . ?
C308 C309 H309 120.6 . . ?
C310 C309 C308 118.8(15) . . ?
C310 C309 H309 120.6 . . ?
C309 C310 H310 119.4 . . ?
C311 C310 C309 121.2(14) . . ?
C311 C310 H310 119.4 . . ?
C310 C311 H311 120.1 . . ?
C310 C311 C312 119.8(14) . . ?
C312 C311 H311 120.1 . . ?
C307 C312 C311 119.4(12) . . ?
C307 C312 H312 120.3 . . ?
C311 C312 H312 120.3 . . ?
C314 C313 P3 123.8(9) . . ?
C314 C313 C318 118.0(12) . . ?
C318 C313 P3 118.3(9) . . ?
C313 C314 H314 120.2 . . ?
C313 C314 C315 119.5(12) . . ?
C315 C314 H314 120.2 . . ?
C314 C315 H315 119.7 . . ?
C316 C315 C314 120.6(13) . . ?
C316 C315 H315 119.7 . . ?
C315 C316 H316 119.4 . . ?
C315 C316 C317 121.1(13) . . ?
C317 C316 H316 119.4 . . ?
C316 C317 H317 120.6 . . ?
C318 C317 C316 118.8(13) . . ?
C318 C317 H317 120.6 . . ?
C313 C318 H318 119.1 . . ?
C317 C318 C313 121.9(13) . . ?
C317 C318 H318 119.1 . . ?
C402 C401 P4 119.6(9) . . ?
C402 C401 C406 119.1(11) . . ?
C406 C401 P4 121.1(9) . . ?
C401 C402 H402 119.4 . . ?
C401 C402 C403 121.2(12) . . ?
C403 C402 H402 119.4 . . ?
C402 C403 H403 120.4 . . ?
C404 C403 C402 119.1(12) . . ?
C404 C403 H403 120.4 . . ?
C403 C404 H404 119.9 . . ?
C403 C404 C405 120.3(12) . . ?
C405 C404 H404 119.9 . . ?
C404 C405 H405 119.8 . . ?
C406 C405 C404 120.5(12) . . ?
C406 C405 H405 119.8 . . ?
C401 C406 H406 120.1 . . ?
C405 C406 C401 119.8(12) . . ?
C405 C406 H406 120.1 . . ?
C408 C407 P4 121.1(10) . . ?
C412 C407 P4 121.0(10) . . ?
C412 C407 C408 117.8(12) . . ?
C407 C408 H408 119.5 . . ?
C409 C408 C407 121.0(13) . . ?
C409 C408 H408 119.5 . . ?
C408 C409 H409 119.4 . . ?
C410 C409 C408 121.2(15) . . ?
C410 C409 H409 119.4 . . ?
C409 C410 H410 120.9 . . ?
C409 C410 C411 118.2(14) . . ?
C411 C410 H410 120.9 . . ?
C410 C411 H411 119.1 . . ?
C412 C411 C410 121.8(14) . . ?
C412 C411 H411 119.1 . . ?
C407 C412 H412 120.0 . . ?
C411 C412 C407 119.9(13) . . ?
C411 C412 H412 120.0 . . ?
C414 C413 P4 122.0(11) . . ?
C418 C413 P4 118.4(9) . . ?
C418 C413 C414 119.4(12) . . ?
C413 C414 H414 119.6 . . ?
C415 C414 C413 120.7(16) . . ?
C415 C414 H414 119.6 . . ?
C414 C415 H415 120.8 . . ?
C414 C415 C416 118.4(15) . . ?
C416 C415 H415 120.8 . . ?
C415 C416 H416 119.2 . . ?
C417 C416 C415 121.6(15) . . ?
C417 C416 H416 119.2 . . ?
C416 C417 H417 120.3 . . ?
C418 C417 C416 119.5(16) . . ?
C418 C417 H417 120.3 . . ?
C413 C418 H418 119.9 . . ?
C417 C418 C413 120.3(14) . . ?
C417 C418 H418 119.9 . . ?
Cl21 Ga2 Cl23 107.0(6) . . ?
Cl22 Ga2 Cl21 104.7(11) . . ?
Cl22 Ga2 Cl23 109.7(11) . . ?
C501 Ga2 Cl21 110.9(6) . . ?
C501 Ga2 Cl22 117.6(10) . . ?
C501 Ga2 Cl23 106.7(7) . . ?
C501 C502 H502 125.9 . . ?
C501 C502 C503 108.1 . . ?
C503 C502 H502 125.9 . . ?
Ga2 C501 H501 111.6 . . ?
C502 C501 Ga2 101.3(10) . . ?
C502 C501 H501 111.6 . . ?
C502 C501 C505 107.9 . . ?
C505 C501 Ga2 112.2(10) . . ?
C505 C501 H501 111.6 . . ?
C502 C503 H503 126.0 . . ?
C504 C503 C502 108.0 . . ?
C504 C503 H503 126.0 . . ?
C503 C504 H504 126.0 . . ?
C503 C504 C505 107.9 . . ?
C505 C504 H504 126.0 . . ?
C501 C505 H505 126.0 . . ?
C504 C505 C501 108.0 . . ?
C504 C505 H505 126.0 . . ?
Cl31 Ga3 Cl34 117(2) . . ?
Cl32 Ga3 Cl31 121(2) . . ?
Cl32 Ga3 Cl33 111.0(14) . . ?
Cl32 Ga3 Cl34 107.0(15) . . ?
Cl33 Ga3 Cl31 98(2) . . ?
Cl33 Ga3 Cl34 101.6(13) . . ?
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 Au1 3.1769(9) 2_656 ?
Au1 Au2 2.8839(6) . ?
Au1 Au3 2.8688(6) 2_656 ?
Au1 Au5 2.6285(6) . ?
Au1 P1 2.278(3) . ?
Au2 Au3 2.8390(6) . ?
Au2 Au4 2.8879(6) 2_656 ?
Au2 Au5 2.7184(4) . ?
Au2 P2 2.300(3) . ?
Au3 Au1 2.8687(6) 2_656 ?
Au3 Au4 2.9164(6) . ?
Au3 Au5 2.6603(4) . ?
Au3 P3 2.284(3) . ?
Au4 Au2 2.8879(6) 2_656 ?
Au4 Au5 2.6688(5) . ?
Au4 Ga1 2.6791(9) . ?
Au4 P4 2.308(3) . ?
Au5 Au1 2.6286(6) 2_656 ?
Au5 Au2 2.7183(4) 2_656 ?
Au5 Au3 2.6603(4) 2_656 ?
Au5 Au4 2.6688(5) 2_656 ?
Au5 Ga1 2.4667(17) . ?
Ga1 Au4 2.6791(9) 2_656 ?
Ga1 Cl1 2.194(3) 2_656 ?
Ga1 Cl1 2.194(3) . ?
P1 C101 1.821(13) . ?
P1 C107 1.802(13) . ?
P1 C113 1.819(11) . ?
P2 C201 1.798(12) . ?
P2 C207 1.811(12) . ?
P2 C213 1.787(12) . ?
P3 C301 1.812(13) . ?
P3 C307 1.825(12) . ?
P3 C313 1.789(12) . ?
P4 C401 1.798(11) . ?
P4 C407 1.805(13) . ?
P4 C413 1.811(12) . ?
C101 C102 1.391(17) . ?
C101 C106 1.377(17) . ?
C102 H102 0.9500 . ?
C102 C103 1.375(19) . ?
C103 H103 0.9500 . ?
C103 C104 1.36(2) . ?
C104 H104 0.9500 . ?
C104 C105 1.35(2) . ?
C105 H105 0.9500 . ?
C105 C106 1.373(19) . ?
C106 H106 0.9500 . ?
C107 C108 1.372(17) . ?
C107 C112 1.390(17) . ?
C108 H108 0.9500 . ?
C108 C109 1.381(18) . ?
C109 H109 0.9500 . ?
C109 C110 1.355(19) . ?
C110 H110 0.9500 . ?
C110 C111 1.378(19) . ?
C111 H111 0.9500 . ?
C111 C112 1.380(18) . ?
C112 H112 0.9500 . ?
C113 C114 1.380(16) . ?
C113 C118 1.360(17) . ?
C114 H114 0.9500 . ?
C114 C115 1.397(18) . ?
C115 H115 0.9500 . ?
C115 C116 1.36(2) . ?
C116 H116 0.9500 . ?
C116 C117 1.38(2) . ?
C117 H117 0.9500 . ?
C117 C118 1.402(17) . ?
C118 H118 0.9500 . ?
C201 C202 1.391(18) . ?
C201 C206 1.399(17) . ?
C202 H202 0.9500 . ?
C202 C203 1.367(18) . ?
C203 H203 0.9500 . ?
C203 C204 1.38(2) . ?
C204 H204 0.9500 . ?
C204 C205 1.34(2) . ?
C205 H205 0.9500 . ?
C205 C206 1.39(2) . ?
C206 H206 0.9500 . ?
C207 C208 1.399(16) . ?
C207 C212 1.378(17) . ?
C208 H208 0.9500 . ?
C208 C209 1.379(18) . ?
C209 H209 0.9500 . ?
C209 C210 1.346(19) . ?
C210 H210 0.9500 . ?
C210 C211 1.375(19) . ?
C211 H211 0.9500 . ?
C211 C212 1.353(19) . ?
C212 H212 0.9500 . ?
C213 C214 1.430(15) . ?
C213 C218 1.380(16) . ?
C214 H214 0.9500 . ?
C214 C215 1.349(18) . ?
C215 H215 0.9500 . ?
C215 C216 1.379(19) . ?
C216 H216 0.9500 . ?
C216 C217 1.360(18) . ?
C217 H217 0.9500 . ?
C217 C218 1.354(18) . ?
C218 H218 0.9500 . ?
C301 C302 1.386(18) . ?
C301 C306 1.396(17) . ?
C302 H302 0.9500 . ?
C302 C303 1.347(19) . ?
C303 H303 0.9500 . ?
C303 C304 1.36(2) . ?
C304 H304 0.9500 . ?
C304 C305 1.37(2) . ?
C305 H305 0.9500 . ?
C305 C306 1.371(19) . ?
C306 H306 0.9500 . ?
C307 C308 1.344(17) . ?
C307 C312 1.377(16) . ?
C308 H308 0.9500 . ?
C308 C309 1.371(19) . ?
C309 H309 0.9500 . ?
C309 C310 1.36(2) . ?
C310 H310 0.9500 . ?
C310 C311 1.35(2) . ?
C311 H311 0.9500 . ?
C311 C312 1.385(17) . ?
C312 H312 0.9500 . ?
C313 C314 1.376(16) . ?
C313 C318 1.395(17) . ?
C314 H314 0.9500 . ?
C314 C315 1.384(17) . ?
C315 H315 0.9500 . ?
C315 C316 1.348(19) . ?
C316 H316 0.9500 . ?
C316 C317 1.362(19) . ?
C317 H317 0.9500 . ?
C317 C318 1.356(18) . ?
C318 H318 0.9500 . ?
C401 C402 1.373(16) . ?
C401 C406 1.391(16) . ?
C402 H402 0.9500 . ?
C402 C403 1.381(17) . ?
C403 H403 0.9500 . ?
C403 C404 1.372(18) . ?
C404 H404 0.9500 . ?
C404 C405 1.379(18) . ?
C405 H405 0.9500 . ?
C405 C406 1.371(17) . ?
C406 H406 0.9500 . ?
C407 C408 1.398(17) . ?
C407 C412 1.374(17) . ?
C408 H408 0.9500 . ?
C408 C409 1.378(18) . ?
C409 H409 0.9500 . ?
C409 C410 1.34(2) . ?
C410 H410 0.9500 . ?
C410 C411 1.39(2) . ?
C411 H411 0.9500 . ?
C411 C412 1.372(18) . ?
C412 H412 0.9500 . ?
C413 C414 1.407(17) . ?
C413 C418 1.392(18) . ?
C414 H414 0.9500 . ?
C414 C415 1.37(2) . ?
C415 H415 0.9500 . ?
C415 C416 1.40(2) . ?
C416 H416 0.9500 . ?
C416 C417 1.39(2) . ?
C417 H417 0.9500 . ?
C417 C418 1.370(18) . ?
C418 H418 0.9500 . ?
Ga2 Cl21 2.170(7) . ?
Ga2 Cl22 2.10(3) . ?
Ga2 Cl23 2.199(14) . ?
Ga2 C501 1.999(17) . ?
C502 H502 0.9500 . ?
C502 C501 1.4174 . ?
C502 C503 1.4178 . ?
C501 H501 1.0000 . ?
C501 C505 1.4201 . ?
C503 H503 0.9500 . ?
C503 C504 1.4177 . ?
C504 H504 0.9500 . ?
C504 C505 1.4192 . ?
C505 H505 0.9500 . ?
Ga3 Cl31 2.23(5) . ?
Ga3 Cl32 2.10(4) . ?
Ga3 Cl33 2.18(3) . ?
Ga3 Cl34 2.41(3) . ?
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 0.250 0.455 0.500 539 147 ' '
2 0.250 0.541 1.000 539 147 ' '
3 0.750 0.955 0.500 539 147 ' '
4 0.750 0.041 1.000 539 147 ' '
