#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:48:09 +0300 (Fri, 05 May 2023) $
#$Revision: 283146 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/87/1568778.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_1568778
loop_
_publ_author_name
'Strienz, Markus'
'Fetzer, Florian'
'Schnepf, Andreas'
_publ_section_title
;
 Synthesis and characterisation of four bimetallic gold--gallium clusters
 with Au--Ga rings as a new structural motif in gold cluster chemistry
;
_journal_issue                   17
_journal_name_full               'Chemical Science'
_journal_page_first              4571
_journal_page_last               4579
_journal_paper_doi               10.1039/D2SC06908C
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C81 H189 Au13 Cl10 Ga5 P9'
_chemical_formula_sum            'C81 H189 Au13 Cl10 Ga5 P9'
_chemical_formula_weight         4705.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-11-09
_audit_creation_method
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_audit_update_record
;
2022-12-14 deposited with the CCDC.	2023-04-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.5860(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1624(5)
_cell_length_b                   27.8938(8)
_cell_length_c                   28.6686(10)
_cell_measurement_reflns_used    9358
_cell_measurement_temperature    200
_cell_measurement_theta_max      22.867
_cell_measurement_theta_min      2.260
_cell_volume                     12883.3(7)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200
_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  0.1032
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            224751
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.750
_diffrn_reflns_theta_max         24.750
_diffrn_reflns_theta_min         2.023
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           0.6
_diffrn_source_power             0.03
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    16.114
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1536 before and 0.0718 after correction.
The Ratio of minimum to maximum transmission is 0.6559.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.426
_exptl_crystal_description       trapezoid
_exptl_crystal_F_000             8648
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene, pentane'
_exptl_crystal_size_max          0.093
_exptl_crystal_size_mid          0.081
_exptl_crystal_size_min          0.044
_refine_diff_density_max         1.273
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1220
_refine_ls_number_reflns         22016
_refine_ls_number_restraints     193
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0338
_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)+88.6929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0771
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16213
_reflns_number_total             22016
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc06908c2.cif
_cod_data_source_block           24
_cod_depositor_comments
'Adding full bibliography for 1568775--1568778.cif.'
_cod_database_code               1568778
_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,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C604-C605 = C608-C607 = C509-C508
 1.54 with sigma of 0.02
 C608-C609
 1.54 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C405 \\sim C410: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C904 \\sim C913: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C905 \\sim C914: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C906 \\sim C915: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C909 \\sim C918: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C407 \\sim C413: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C307 \\sim C311: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
Uanis(C309) \\sim Ueq, Uanis(C312) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C414) \\sim Ueq, Uanis(C415) \\sim Ueq, Uanis(C409) \\sim Ueq,
Uanis(C413) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C910) \\sim Ueq, Uanis(C901) \\sim Ueq, Uanis(C911) \\sim Ueq,
Uanis(C902) \\sim Ueq, Uanis(C903) \\sim Ueq, Uanis(C912) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C915) \\sim Ueq, Uanis(C906) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C905) \\sim Ueq, Uanis(C914) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C909) \\sim Ueq, Uanis(C908) \\sim Ueq, Uanis(C917) \\sim Ueq,
Uanis(C907) \\sim Ueq, Uanis(C918) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C310) \\sim Ueq, Uanis(C307) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C507, C508, C509
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C310)=Sof(H31A)=Sof(H31B)=Sof(C311)=Sof(H31C)=Sof(H31D)=Sof(C312)=
 Sof(H31E)=Sof(H31F)=Sof(H31G)=Sof(C410)=Sof(H41A)=Sof(H41B)=Sof(C411)=
 Sof(H41C)=Sof(H41D)=Sof(C412)=Sof(H41E)=Sof(H41F)=Sof(H41G)=Sof(C413)=
 Sof(H41H)=Sof(H41I)=Sof(C414)=Sof(H41J)=Sof(H41K)=Sof(C415)=Sof(H41L)=
 Sof(H41M)=Sof(H41N)=Sof(C910)=Sof(H91A)=Sof(H91B)=Sof(C911)=Sof(H91C)=
 Sof(H91D)=Sof(C912)=Sof(H91E)=Sof(H91F)=Sof(H91G)=Sof(C913)=Sof(H91H)=
 Sof(H91I)=Sof(C914)=Sof(H91J)=Sof(H91K)=Sof(C915)=Sof(H91L)=Sof(H91M)=
 Sof(H91N)=Sof(C916)=Sof(H91O)=Sof(H91P)=Sof(C917)=Sof(H91Q)=Sof(H91R)=
 Sof(C918)=Sof(H91S)=Sof(H91T)=Sof(H91U)=1-FVAR(1)
 Sof(C307)=Sof(H30O)=Sof(H30P)=Sof(C308)=Sof(H30Q)=Sof(H30R)=Sof(C309)=
 Sof(H30S)=Sof(H30T)=Sof(H30U)=Sof(C404)=Sof(H40H)=Sof(H40I)=Sof(C405)=
 Sof(H40J)=Sof(H40K)=Sof(C406)=Sof(H40L)=Sof(H40M)=Sof(H40N)=Sof(C407)=
 Sof(H40O)=Sof(H40P)=Sof(C408)=Sof(H40Q)=Sof(H40R)=Sof(C409)=Sof(H40S)=
 Sof(H40T)=Sof(H40U)=Sof(C901)=Sof(H90A)=Sof(H90B)=Sof(C902)=Sof(H90C)=
 Sof(H90D)=Sof(C903)=Sof(H90E)=Sof(H90F)=Sof(H90G)=Sof(C904)=Sof(H90H)=
 Sof(H90I)=Sof(C905)=Sof(H90J)=Sof(H90K)=Sof(C906)=Sof(H90L)=Sof(H90M)=
 Sof(H90N)=Sof(C907)=Sof(H90O)=Sof(H90P)=Sof(C908)=Sof(H90Q)=Sof(H90R)=
 Sof(C909)=Sof(H90S)=Sof(H90T)=Sof(H90U)=FVAR(1)
6.a Free rotating group:
 C401(C402,C403), C410(C411,C412)
6.b Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C102(H10C,H10D), C104(H10H,H10I), C105(H10J,H10K), C107(H10O,
 H10P), C108(H10Q,H10R), C201(H20K,H20L), C202(H20M,H20N), C204(H20O,H20P),
 C205(H20Q,H20R), C207(H20D,H20E), C208(H20F,H20G), C301(H30A,H30B), C302(H30C,
 H30D), C304(H30H,H30I), C305(H30J,H30K), C307(H30O,H30P), C308(H30Q,H30R),
 C310(H31A,H31B), C311(H31C,H31D), C401(H40A,H40B), C402(H40C,H40D), C404(H40H,
 H40I), C405(H40J,H40K), C407(H40O,H40P), C408(H40Q,H40R), C410(H41A,H41B),
 C411(H41C,H41D), C413(H41H,H41I), C414(H41J,H41K), C501(H50A,H50B), C502(H50C,
 H50D), C504(H50H,H50I), C505(H50J,H50K), C507(H50O,H50P), C508(H50Q,H50R),
 C601(H60A,H60B), C602(H60C,H60D), C604(H60H,H60I), C605(H60J,H60K), C607(H60O,
 H60P), C608(H60Q,H60R), C701(H70A,H70B), C702(H70C,H70D), C704(H70H,H70I),
 C705(H70J,H70K), C707(H70O,H70P), C708(H70Q,H70R), C801(H80A,H80B), C802(H80C,
 H80D), C804(H80H,H80I), C805(H80J,H80K), C807(H80O,H80P), C808(H80Q,H80R),
 C901(H90A,H90B), C902(H90C,H90D), C904(H90H,H90I), C905(H90J,H90K), C907(H90O,
 H90P), C908(H90Q,H90R), C910(H91A,H91B), C911(H91C,H91D), C913(H91H,H91I),
 C914(H91J,H91K), C916(H91O,H91P), C917(H91Q,H91R)
6.c Me refined with riding coordinates:
 C103(H10E,H10F,H10G), C106(H10L,H10M,H10N), C109(H10S,H10T,H10U), C203(H20A,
 H20B,H20C), C206(H20S,H20T,H20U), C209(H20H,H20I,H20J), C303(H30E,H30F,H30G),
 C306(H30L,H30M,H30N), C309(H30S,H30T,H30U), C312(H31E,H31F,H31G), C403(H40E,
 H40F,H40G), C406(H40L,H40M,H40N), C409(H40S,H40T,H40U), C412(H41E,H41F,H41G),
 C415(H41L,H41M,H41N), C503(H50E,H50F,H50G), C506(H50L,H50M,H50N), C509(H50S,
 H50T,H50U), C603(H60E,H60F,H60G), C606(H60L,H60M,H60N), C609(H60S,H60T,H60U),
 C703(H70E,H70F,H70G), C706(H70L,H70M,H70N), C709(H70S,H70T,H70U), C803(H80E,
 H80F,H80G), C806(H80L,H80M,H80N), C809(H80S,H80T,H80U), C903(H90E,H90F,H90G),
 C906(H90L,H90M,H90N), C909(H90S,H90T,H90U), C912(H91E,H91F,H91G), C915(H91L,
 H91M,H91N), C918(H91S,H91T,H91U)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.56157(2) 0.31565(2) 0.63236(2) 0.02719(9) Uani 1 1 d . . . . .
Au2 Au 0.51741(3) 0.28600(2) 0.54536(2) 0.03930(10) Uani 1 1 d . . . . .
Au3 Au 0.69844(2) 0.30946(2) 0.58156(2) 0.03603(10) Uani 1 1 d . . . . .
Au4 Au 0.62020(2) 0.22385(2) 0.60586(2) 0.03274(9) Uani 1 1 d . . . . .
Au5 Au 0.40004(3) 0.28828(2) 0.61501(2) 0.04094(11) Uani 1 1 d . . . . .
Au6 Au 0.44811(2) 0.39190(2) 0.63045(2) 0.03585(10) Uani 1 1 d . . . . .
Au7 Au 0.62270(3) 0.37042(2) 0.70408(2) 0.03771(10) Uani 1 1 d . . . . .
Au8 Au 0.68939(2) 0.27921(2) 0.68745(2) 0.03612(10) Uani 1 1 d . . . . .
Au9 Au 0.51918(2) 0.23556(2) 0.68135(2) 0.03190(9) Uani 1 1 d . . . . .
Au10 Au 0.45902(2) 0.32919(2) 0.70594(2) 0.03134(9) Uani 1 1 d . . . . .
Au11 Au 0.66604(3) 0.13904(2) 0.57732(2) 0.04839(12) Uani 1 1 d . . . . .
Au12 Au 0.46969(3) 0.16088(2) 0.72704(2) 0.04246(11) Uani 1 1 d . . . . .
Au13 Au 0.40663(3) 0.34464(2) 0.78881(2) 0.04050(11) Uani 1 1 d . . . . .
Ga1 Ga 0.59353(7) 0.38815(4) 0.58707(4) 0.0363(3) Uani 1 1 d . . . . .
Ga2 Ga 0.72489(8) 0.22306(4) 0.54741(4) 0.0441(3) Uani 1 1 d . . . . .
Ga3 Ga 0.55359(7) 0.15573(4) 0.64756(4) 0.0356(3) Uani 1 1 d . . . . .
Ga4 Ga 0.47165(7) 0.25820(4) 0.75951(4) 0.0346(3) Uani 1 1 d . . . . .
Ga5 Ga 0.35970(7) 0.39599(4) 0.70506(4) 0.0381(3) Uani 1 1 d . . . . .
Cl11 Cl 0.58621(18) 0.40600(10) 0.51000(9) 0.0492(7) Uani 1 1 d . . . . .
Cl12 Cl 0.65558(18) 0.45592(10) 0.61592(10) 0.0503(7) Uani 1 1 d . . . . .
Cl21 Cl 0.7000(2) 0.21538(13) 0.47027(11) 0.0714(10) Uani 1 1 d . . . . .
Cl22 Cl 0.8611(2) 0.20758(12) 0.55278(14) 0.0762(11) Uani 1 1 d . . . . .
Cl31 Cl 0.44900(19) 0.11386(11) 0.61148(11) 0.0577(8) Uani 1 1 d . . . . .
Cl32 Cl 0.63231(19) 0.09599(10) 0.68168(10) 0.0536(7) Uani 1 1 d . . . . .
Cl41 Cl 0.57758(19) 0.25327(11) 0.81463(10) 0.0564(8) Uani 1 1 d . . . . .
Cl42 Cl 0.36728(19) 0.22579(10) 0.79670(11) 0.0545(8) Uani 1 1 d . . . . .
Cl51 Cl 0.22467(19) 0.38134(13) 0.69136(13) 0.0696(10) Uani 1 1 d . . . . .
Cl52 Cl 0.3520(2) 0.46794(10) 0.73879(11) 0.0595(8) Uani 1 1 d . . . . .
P1 P 0.4246(2) 0.09316(11) 0.76378(11) 0.0514(8) Uani 1 1 d . . . . .
P2 P 0.3966(2) 0.45878(12) 0.58847(11) 0.0523(8) Uani 1 1 d . . . . .
P3 P 0.7105(2) 0.06812(12) 0.54686(14) 0.0668(10) Uani 1 1 d . . . . .
P4 P 0.2689(2) 0.25717(14) 0.60750(14) 0.0687(11) Uani 1 1 d . . . . .
P5 P 0.66003(19) 0.43062(10) 0.75546(11) 0.0444(7) Uani 1 1 d . . . . .
P6 P 0.78231(19) 0.23637(11) 0.73540(12) 0.0503(8) Uani 1 1 d . . . . .
P7 P 0.81572(18) 0.34650(11) 0.55513(11) 0.0451(7) Uani 1 1 d . . . . .
P8 P 0.4718(2) 0.26847(11) 0.47043(10) 0.0484(8) Uani 1 1 d . . . . .
P9 P 0.3617(2) 0.35910(12) 0.86142(11) 0.0556(9) Uani 1 1 d . . . . .
C101 C 0.4847(10) 0.0828(5) 0.8205(4) 0.080(4) Uani 1 1 d . . . . .
H10A H 0.4551 0.0583 0.8380 0.096 Uiso 1 1 calc R U . . .
H10B H 0.5392 0.0691 0.8142 0.096 Uiso 1 1 calc R U . . .
C102 C 0.4993(10) 0.1245(5) 0.8507(5) 0.086(5) Uani 1 1 d . . . . .
H10C H 0.4453 0.1402 0.8547 0.103 Uiso 1 1 calc R U . . .
H10D H 0.5340 0.1477 0.8348 0.103 Uiso 1 1 calc R U . . .
C103 C 0.5408(10) 0.1139(6) 0.8982(5) 0.091(5) Uani 1 1 d . . . . .
H10E H 0.5483 0.1437 0.9160 0.137 Uiso 1 1 calc R U . . .
H10F H 0.5063 0.0917 0.9147 0.137 Uiso 1 1 calc R U . . .
H10G H 0.5951 0.0992 0.8948 0.137 Uiso 1 1 calc R U . . .
C104 C 0.4363(7) 0.0383(3) 0.7320(4) 0.048(3) Uani 1 1 d . . . . .
H10H H 0.4085 0.0425 0.7002 0.057 Uiso 1 1 calc R U . . .
H10I H 0.4962 0.0336 0.7284 0.057 Uiso 1 1 calc R U . . .
C105 C 0.4026(8) -0.0078(4) 0.7530(5) 0.059(3) Uani 1 1 d . . . . .
H10J H 0.4272 -0.0115 0.7855 0.070 Uiso 1 1 calc R U . . .
H10K H 0.3417 -0.0048 0.7540 0.070 Uiso 1 1 calc R U . . .
C106 C 0.4216(10) -0.0523(4) 0.7251(5) 0.081(5) Uani 1 1 d . . . . .
H10L H 0.3989 -0.0806 0.7398 0.121 Uiso 1 1 calc R U . . .
H10M H 0.3963 -0.0492 0.6930 0.121 Uiso 1 1 calc R U . . .
H10N H 0.4818 -0.0558 0.7245 0.121 Uiso 1 1 calc R U . . .
C107 C 0.3185(9) 0.0954(5) 0.7769(5) 0.072(4) Uani 1 1 d . . . . .
H10O H 0.3047 0.0655 0.7931 0.087 Uiso 1 1 calc R U . . .
H10P H 0.3112 0.1224 0.7986 0.087 Uiso 1 1 calc R U . . .
C108 C 0.2607(9) 0.1015(6) 0.7350(7) 0.106(6) Uani 1 1 d . . . . .
H10Q H 0.2665 0.0736 0.7141 0.127 Uiso 1 1 calc R U . . .
H10R H 0.2768 0.1305 0.7180 0.127 Uiso 1 1 calc R U . . .
C109 C 0.1694(11) 0.1061(7) 0.7451(10) 0.179(12) Uani 1 1 d . . . . .
H10S H 0.1351 0.1100 0.7156 0.268 Uiso 1 1 calc R U . . .
H10T H 0.1521 0.0772 0.7611 0.268 Uiso 1 1 calc R U . . .
H10U H 0.1625 0.1342 0.7650 0.268 Uiso 1 1 calc R U . . .
C201 C 0.4588(8) 0.5144(4) 0.5994(6) 0.072(4) Uani 1 1 d . . . . .
H20K H 0.5134 0.5097 0.5867 0.087 Uiso 1 1 calc R U . . .
H20L H 0.4304 0.5409 0.5817 0.087 Uiso 1 1 calc R U . . .
C202 C 0.4731(11) 0.5292(6) 0.6487(6) 0.101(5) Uani 1 1 d . . . . .
H20M H 0.4909 0.5009 0.6679 0.121 Uiso 1 1 calc R U . . .
H20N H 0.4202 0.5409 0.6597 0.121 Uiso 1 1 calc R U . . .
C203 C 0.5392(10) 0.5687(6) 0.6560(7) 0.124(7) Uani 1 1 d . . . . .
H20A H 0.5463 0.5773 0.6893 0.186 Uiso 1 1 calc R U . . .
H20B H 0.5920 0.5571 0.6458 0.186 Uiso 1 1 calc R U . . .
H20C H 0.5213 0.5970 0.6377 0.186 Uiso 1 1 calc R U . . .
C204 C 0.2920(7) 0.4750(4) 0.6047(4) 0.050(3) Uani 1 1 d . . . . .
H20O H 0.2552 0.4469 0.5983 0.060 Uiso 1 1 calc R U . . .
H20P H 0.2954 0.4807 0.6388 0.060 Uiso 1 1 calc R U . . .
C205 C 0.2513(10) 0.5175(6) 0.5811(6) 0.102(6) Uani 1 1 d . . . . .
H20Q H 0.2526 0.5148 0.5467 0.123 Uiso 1 1 calc R U . . .
H20R H 0.2803 0.5473 0.5916 0.123 Uiso 1 1 calc R U . . .
C206 C 0.1590(10) 0.5182(9) 0.5949(7) 0.164(11) Uani 1 1 d . . . . .
H20S H 0.1298 0.5458 0.5800 0.245 Uiso 1 1 calc R U . . .
H20T H 0.1310 0.4885 0.5842 0.245 Uiso 1 1 calc R U . . .
H20U H 0.1585 0.5208 0.6289 0.245 Uiso 1 1 calc R U . . .
C207 C 0.3891(9) 0.4581(5) 0.5254(5) 0.075(4) Uani 1 1 d . . . . .
H20D H 0.3643 0.4886 0.5135 0.090 Uiso 1 1 calc R U . . .
H20E H 0.4455 0.4556 0.5144 0.090 Uiso 1 1 calc R U . . .
C208 C 0.3389(9) 0.4184(5) 0.5065(5) 0.079(4) Uani 1 1 d . . . . .
H20F H 0.2843 0.4190 0.5198 0.095 Uiso 1 1 calc R U . . .
H20G H 0.3666 0.3878 0.5156 0.095 Uiso 1 1 calc R U . . .
C209 C 0.3253(13) 0.4214(6) 0.4500(5) 0.126(8) Uani 1 1 d . . . . .
H20H H 0.2914 0.3943 0.4382 0.189 Uiso 1 1 calc R U . . .
H20I H 0.2971 0.4515 0.4409 0.189 Uiso 1 1 calc R U . . .
H20J H 0.3793 0.4203 0.4367 0.189 Uiso 1 1 calc R U . . .
C301 C 0.6950(8) 0.0168(4) 0.5844(5) 0.074(4) Uani 1 1 d . . . . .
H30A H 0.7224 -0.0115 0.5717 0.089 Uiso 1 1 calc R U . . .
H30B H 0.7220 0.0234 0.6160 0.089 Uiso 1 1 calc R U . . .
C302 C 0.6039(8) 0.0054(4) 0.5885(5) 0.065(4) Uani 1 1 d . . . . .
H30C H 0.5796 -0.0077 0.5584 0.078 Uiso 1 1 calc R U . . .
H30D H 0.5740 0.0354 0.5949 0.078 Uiso 1 1 calc R U . . .
C303 C 0.5918(12) -0.0305(5) 0.6274(5) 0.103(6) Uani 1 1 d . . . . .
H30E H 0.5324 -0.0369 0.6289 0.154 Uiso 1 1 calc R U . . .
H30F H 0.6204 -0.0605 0.6210 0.154 Uiso 1 1 calc R U . . .
H30G H 0.6147 -0.0174 0.6574 0.154 Uiso 1 1 calc R U . . .
C304 C 0.6611(10) 0.0540(5) 0.4893(5) 0.085(5) Uani 1 1 d . . . . .
H30H H 0.6006 0.0517 0.4920 0.102 Uiso 1 1 calc R U . . .
H30I H 0.6704 0.0813 0.4683 0.102 Uiso 1 1 calc R U . . .
C305 C 0.6885(13) 0.0087(6) 0.4659(7) 0.122(7) Uani 1 1 d . . . . .
H30J H 0.7495 0.0093 0.4646 0.146 Uiso 1 1 calc R U . . .
H30K H 0.6744 -0.0195 0.4848 0.146 Uiso 1 1 calc R U . . .
C306 C 0.6474(13) 0.0036(7) 0.4170(7) 0.134(8) Uani 1 1 d . . . . .
H30L H 0.6665 -0.0260 0.4028 0.200 Uiso 1 1 calc R U . . .
H30M H 0.5870 0.0024 0.4182 0.200 Uiso 1 1 calc R U . . .
H30N H 0.6621 0.0311 0.3980 0.200 Uiso 1 1 calc R U . . .
C307 C 0.807(2) 0.0711(14) 0.5281(14) 0.075(8) Uani 0.457(11) 1 d . U P A 1
H30O H 0.8189 0.0411 0.5114 0.090 Uiso 0.457(11) 1 calc R U P A 1
H30P H 0.8097 0.0979 0.5056 0.090 Uiso 0.457(11) 1 calc R U P A 1
C308 C 0.8809(17) 0.0791(11) 0.5717(10) 0.061(8) Uani 0.457(11) 1 d . . P A 1
H30Q H 0.8642 0.1060 0.5915 0.073 Uiso 0.457(11) 1 calc R U P A 1
H30R H 0.8841 0.0499 0.5914 0.073 Uiso 0.457(11) 1 calc R U P A 1
C309 C 0.967(2) 0.0896(13) 0.5562(13) 0.071(10) Uani 0.457(11) 1 d . U P A 1
H30S H 1.0061 0.0938 0.5837 0.106 Uiso 0.457(11) 1 calc R U P A 1
H30T H 0.9849 0.0628 0.5373 0.106 Uiso 0.457(11) 1 calc R U P A 1
H30U H 0.9650 0.1190 0.5374 0.106 Uiso 0.457(11) 1 calc R U P A 1
C310 C 0.834(2) 0.0620(11) 0.5557(11) 0.069(8) Uani 0.543(11) 1 d . U P A 2
H31A H 0.8559 0.0764 0.5857 0.083 Uiso 0.543(11) 1 calc R U P A 2
H31B H 0.8513 0.0280 0.5548 0.083 Uiso 0.543(11) 1 calc R U P A 2
C311 C 0.858(2) 0.0854(11) 0.5207(11) 0.087(7) Uani 0.543(11) 1 d . U P A 2
H31C H 0.8357 0.1185 0.5203 0.104 Uiso 0.543(11) 1 calc R U P A 2
H31D H 0.8386 0.0695 0.4910 0.104 Uiso 0.543(11) 1 calc R U P A 2
C312 C 0.962(3) 0.0862(16) 0.5274(15) 0.131(16) Uani 0.543(11) 1 d . U P A 2
H31E H 0.9831 0.1038 0.5014 0.197 Uiso 0.543(11) 1 calc R U P A 2
H31F H 0.9798 0.1020 0.5570 0.197 Uiso 0.543(11) 1 calc R U P A 2
H31G H 0.9827 0.0533 0.5278 0.197 Uiso 0.543(11) 1 calc R U P A 2
C401 C 0.2689(9) 0.1993(5) 0.5817(7) 0.109(6) Uani 1 1 d G . . . .
H40A H 0.2941 0.2029 0.5516 0.131 Uiso 1 1 calc R U . . .
H40B H 0.3077 0.1795 0.6020 0.131 Uiso 1 1 calc R U . . .
C402 C 0.1903(8) 0.1691(6) 0.5715(8) 0.170(10) Uani 1 1 d G . . . .
H40C H 0.1677 0.1603 0.6014 0.204 Uiso 1 1 calc R U . . .
H40D H 0.1479 0.1886 0.5532 0.204 Uiso 1 1 calc R U . . .
C403 C 0.2070(12) 0.1235(6) 0.5443(9) 0.206(14) Uani 1 1 d G . . . .
H40E H 0.1553 0.1054 0.5385 0.309 Uiso 1 1 calc R U . . .
H40F H 0.2284 0.1321 0.5143 0.309 Uiso 1 1 calc R U . . .
H40G H 0.2481 0.1039 0.5625 0.309 Uiso 1 1 calc R U . . .
C404 C 0.1994(14) 0.2623(9) 0.6489(9) 0.043(7) Uani 0.457(11) 1 d . . P A 1
H40H H 0.1861 0.2965 0.6535 0.052 Uiso 0.457(11) 1 calc R U P A 1
H40I H 0.1475 0.2453 0.6383 0.052 Uiso 0.457(11) 1 calc R U P A 1
C405 C 0.234(3) 0.242(3) 0.693(2) 0.084(12) Uani 0.457(11) 1 d . U P A 1
H40J H 0.2840 0.2603 0.7039 0.101 Uiso 0.457(11) 1 calc R U P A 1
H40K H 0.2522 0.2085 0.6869 0.101 Uiso 0.457(11) 1 calc R U P A 1
C406 C 0.176(3) 0.240(4) 0.7319(17) 0.077(16) Uani 0.457(11) 1 d . . P A 1
H40L H 0.2043 0.2261 0.7599 0.115 Uiso 0.457(11) 1 calc R U P A 1
H40M H 0.1585 0.2732 0.7389 0.115 Uiso 0.457(11) 1 calc R U P A 1
H40N H 0.1267 0.2213 0.7219 0.115 Uiso 0.457(11) 1 calc R U P A 1
C407 C 0.1961(18) 0.2844(12) 0.5561(12) 0.066(6) Uani 0.457(11) 1 d . U P A 1
H40O H 0.2214 0.2798 0.5261 0.079 Uiso 0.457(11) 1 calc R U P A 1
H40P H 0.1419 0.2677 0.5540 0.079 Uiso 0.457(11) 1 calc R U P A 1
C408 C 0.182(2) 0.3435(12) 0.5657(9) 0.067(10) Uani 0.457(11) 1 d . . P A 1
H40Q H 0.1602 0.3473 0.5967 0.081 Uiso 0.457(11) 1 calc R U P A 1
H40R H 0.2367 0.3595 0.5669 0.081 Uiso 0.457(11) 1 calc R U P A 1
C409 C 0.125(2) 0.3684(11) 0.5306(13) 0.050(8) Uani 0.457(11) 1 d . U P A 1
H40S H 0.1213 0.4022 0.5392 0.075 Uiso 0.457(11) 1 calc R U P A 1
H40T H 0.1470 0.3658 0.4998 0.075 Uiso 0.457(11) 1 calc R U P A 1
H40U H 0.0703 0.3536 0.5297 0.075 Uiso 0.457(11) 1 calc R U P A 1
C410 C 0.253(2) 0.245(2) 0.6743(16) 0.087(12) Uani 0.543(11) 1 d G U P A 2
H41A H 0.2919 0.2203 0.6864 0.104 Uiso 0.543(11) 1 calc R U P A 2
H41B H 0.2658 0.2752 0.6923 0.104 Uiso 0.543(11) 1 calc R U P A 2
C411 C 0.1643(17) 0.2297(11) 0.6827(10) 0.102(11) Uani 0.543(11) 1 d G . P A 2
H41C H 0.1245 0.2463 0.6601 0.123 Uiso 0.543(11) 1 calc R U P A 2
H41D H 0.1587 0.1948 0.6770 0.123 Uiso 0.543(11) 1 calc R U P A 2
C412 C 0.142(3) 0.241(3) 0.7324(13) 0.10(2) Uani 0.543(11) 1 d G . P A 2
H41E H 0.0854 0.2303 0.7363 0.147 Uiso 0.543(11) 1 calc R U P A 2
H41F H 0.1807 0.2240 0.7549 0.147 Uiso 0.543(11) 1 calc R U P A 2
H41G H 0.1465 0.2755 0.7380 0.147 Uiso 0.543(11) 1 calc R U P A 2
C413 C 0.1852(15) 0.2916(9) 0.5909(9) 0.068(6) Uani 0.543(11) 1 d . U P A 2
H41H H 0.1359 0.2707 0.5855 0.081 Uiso 0.543(11) 1 calc R U P A 2
H41I H 0.1749 0.3139 0.6166 0.081 Uiso 0.543(11) 1 calc R U P A 2
C414 C 0.1949(18) 0.3184(12) 0.5499(11) 0.068(8) Uani 0.543(11) 1 d . U P A 2
H41J H 0.2136 0.2960 0.5262 0.082 Uiso 0.543(11) 1 calc R U P A 2
H41K H 0.2407 0.3414 0.5573 0.082 Uiso 0.543(11) 1 calc R U P A 2
C415 C 0.123(3) 0.3460(12) 0.5275(15) 0.087(12) Uani 0.543(11) 1 d . U P A 2
H41L H 0.1402 0.3624 0.4996 0.130 Uiso 0.543(11) 1 calc R U P A 2
H41M H 0.0775 0.3239 0.5184 0.130 Uiso 0.543(11) 1 calc R U P A 2
H41N H 0.1047 0.3697 0.5497 0.130 Uiso 0.543(11) 1 calc R U P A 2
C501 C 0.6985(8) 0.4130(4) 0.8141(4) 0.059(3) Uani 1 1 d . . . . .
H50A H 0.7518 0.3959 0.8122 0.071 Uiso 1 1 calc R U . . .
H50B H 0.7100 0.4423 0.8329 0.071 Uiso 1 1 calc R U . . .
C502 C 0.6420(9) 0.3819(5) 0.8390(5) 0.079(4) Uani 1 1 d . . . . .
H50C H 0.6321 0.3519 0.8210 0.094 Uiso 1 1 calc R U . . .
H50D H 0.5879 0.3984 0.8401 0.094 Uiso 1 1 calc R U . . .
C503 C 0.6754(10) 0.3691(7) 0.8893(5) 0.107(6) Uani 1 1 d . . . . .
H50E H 0.6352 0.3486 0.9037 0.160 Uiso 1 1 calc R U . . .
H50F H 0.7282 0.3520 0.8886 0.160 Uiso 1 1 calc R U . . .
H50G H 0.6840 0.3986 0.9077 0.160 Uiso 1 1 calc R U . . .
C504 C 0.7407(8) 0.4688(4) 0.7349(5) 0.060(3) Uani 1 1 d . . . . .
H50H H 0.7164 0.4884 0.7085 0.072 Uiso 1 1 calc R U . . .
H50I H 0.7600 0.4910 0.7605 0.072 Uiso 1 1 calc R U . . .
C505 C 0.8142(8) 0.4425(5) 0.7193(5) 0.077(4) Uani 1 1 d . . . . .
H50J H 0.7949 0.4167 0.6973 0.092 Uiso 1 1 calc R U . . .
H50K H 0.8450 0.4274 0.7467 0.092 Uiso 1 1 calc R U . . .
C506 C 0.8717(10) 0.4761(6) 0.6953(6) 0.102(6) Uani 1 1 d . . . . .
H50L H 0.9192 0.4580 0.6854 0.153 Uiso 1 1 calc R U . . .
H50M H 0.8415 0.4907 0.6679 0.153 Uiso 1 1 calc R U . . .
H50N H 0.8915 0.5013 0.7172 0.153 Uiso 1 1 calc R U . . .
C507 C 0.5755(9) 0.4716(5) 0.7639(5) 0.080(4) Uani 1 1 d . U . . .
H50O H 0.5574 0.4862 0.7333 0.096 Uiso 1 1 calc R U . . .
H50P H 0.5282 0.4528 0.7741 0.096 Uiso 1 1 calc R U . . .
C508 C 0.5949(13) 0.5130(7) 0.8000(7) 0.153(9) Uani 1 1 d D U . . .
H50Q H 0.5992 0.4992 0.8320 0.183 Uiso 1 1 calc R U . . .
H50R H 0.6495 0.5271 0.7945 0.183 Uiso 1 1 calc R U . . .
C509 C 0.5312(15) 0.5517(8) 0.7974(9) 0.209(14) Uani 1 1 d D U . . .
H50S H 0.5469 0.5763 0.8208 0.313 Uiso 1 1 calc R U . . .
H50T H 0.5275 0.5660 0.7661 0.313 Uiso 1 1 calc R U . . .
H50U H 0.4772 0.5381 0.8036 0.313 Uiso 1 1 calc R U . . .
C601 C 0.7356(7) 0.1839(4) 0.7587(4) 0.052(3) Uani 1 1 d . . . . .
H60A H 0.6873 0.1948 0.7751 0.063 Uiso 1 1 calc R U . . .
H60B H 0.7134 0.1643 0.7318 0.063 Uiso 1 1 calc R U . . .
C602 C 0.7849(8) 0.1510(5) 0.7914(5) 0.066(4) Uani 1 1 d . . . . .
H60C H 0.8312 0.1376 0.7748 0.079 Uiso 1 1 calc R U . . .
H60D H 0.8096 0.1701 0.8181 0.079 Uiso 1 1 calc R U . . .
C603 C 0.7375(9) 0.1106(5) 0.8101(5) 0.087(5) Uani 1 1 d . . . . .
H60E H 0.7746 0.0911 0.8310 0.130 Uiso 1 1 calc R U . . .
H60F H 0.6925 0.1234 0.8274 0.130 Uiso 1 1 calc R U . . .
H60G H 0.7140 0.0908 0.7841 0.130 Uiso 1 1 calc R U . . .
C604 C 0.8179(9) 0.2702(5) 0.7909(5) 0.077(4) Uani 1 1 d D . . . .
H60H H 0.7697 0.2757 0.8094 0.092 Uiso 1 1 calc R U . . .
H60I H 0.8585 0.2502 0.8100 0.092 Uiso 1 1 calc R U . . .
C605 C 0.8563(10) 0.3165(4) 0.7811(5) 0.078(4) Uani 1 1 d D . . . .
H60J H 0.8140 0.3378 0.7652 0.094 Uiso 1 1 calc R U . . .
H60K H 0.9005 0.3113 0.7596 0.094 Uiso 1 1 calc R U . . .
C606 C 0.8931(9) 0.3406(4) 0.8248(5) 0.071(4) Uani 1 1 d . . . . .
H60L H 0.9179 0.3712 0.8166 0.106 Uiso 1 1 calc R U . . .
H60M H 0.8495 0.3464 0.8460 0.106 Uiso 1 1 calc R U . . .
H60N H 0.9360 0.3199 0.8403 0.106 Uiso 1 1 calc R U . . .
C607 C 0.8789(9) 0.2183(5) 0.7166(5) 0.081(4) Uani 1 1 d D . . . .
H60O H 0.9101 0.2472 0.7082 0.097 Uiso 1 1 calc R U . . .
H60P H 0.9114 0.2024 0.7430 0.097 Uiso 1 1 calc R U . . .
C608 C 0.8721(9) 0.1853(7) 0.6760(6) 0.108(6) Uani 1 1 d D . . . .
H60Q H 0.8375 0.2000 0.6498 0.130 Uiso 1 1 calc R U . . .
H60R H 0.8452 0.1550 0.6847 0.130 Uiso 1 1 calc R U . . .
C609 C 0.9626(10) 0.1743(7) 0.6602(6) 0.116(7) Uani 1 1 d D . . . .
H60S H 0.9583 0.1525 0.6334 0.174 Uiso 1 1 calc R U . . .
H60T H 0.9887 0.2043 0.6514 0.174 Uiso 1 1 calc R U . . .
H60U H 0.9964 0.1594 0.6862 0.174 Uiso 1 1 calc R U . . .
C701 C 0.8388(7) 0.3302(4) 0.4961(4) 0.054(3) Uani 1 1 d . . . . .
H70A H 0.8923 0.3449 0.4894 0.065 Uiso 1 1 calc R U . . .
H70B H 0.8455 0.2949 0.4945 0.065 Uiso 1 1 calc R U . . .
C702 C 0.7718(8) 0.3458(5) 0.4580(4) 0.067(4) Uani 1 1 d . . . . .
H70C H 0.7176 0.3323 0.4652 0.081 Uiso 1 1 calc R U . . .
H70D H 0.7669 0.3812 0.4583 0.081 Uiso 1 1 calc R U . . .
C703 C 0.7908(11) 0.3299(7) 0.4109(5) 0.107(6) Uani 1 1 d . . . . .
H70E H 0.7467 0.3406 0.3878 0.161 Uiso 1 1 calc R U . . .
H70F H 0.8439 0.3438 0.4034 0.161 Uiso 1 1 calc R U . . .
H70G H 0.7945 0.2949 0.4103 0.161 Uiso 1 1 calc R U . . .
C704 C 0.8179(7) 0.4114(4) 0.5547(4) 0.051(3) Uani 1 1 d . . . . .
H70H H 0.7707 0.4227 0.5335 0.061 Uiso 1 1 calc R U . . .
H70I H 0.8083 0.4227 0.5866 0.061 Uiso 1 1 calc R U . . .
C705 C 0.8959(8) 0.4355(5) 0.5402(5) 0.072(4) Uani 1 1 d . . . . .
H70J H 0.9042 0.4266 0.5075 0.087 Uiso 1 1 calc R U . . .
H70K H 0.9443 0.4236 0.5603 0.087 Uiso 1 1 calc R U . . .
C706 C 0.8920(10) 0.4897(5) 0.5441(6) 0.090(5) Uani 1 1 d . . . . .
H70L H 0.9436 0.5036 0.5344 0.135 Uiso 1 1 calc R U . . .
H70M H 0.8449 0.5017 0.5238 0.135 Uiso 1 1 calc R U . . .
H70N H 0.8850 0.4987 0.5766 0.135 Uiso 1 1 calc R U . . .
C707 C 0.9091(7) 0.3303(4) 0.5916(4) 0.057(3) Uani 1 1 d . . . . .
H70O H 0.9163 0.2950 0.5907 0.068 Uiso 1 1 calc R U . . .
H70P H 0.9578 0.3450 0.5784 0.068 Uiso 1 1 calc R U . . .
C708 C 0.9070(8) 0.3459(5) 0.6420(5) 0.069(4) Uani 1 1 d . . . . .
H70Q H 0.8636 0.3275 0.6568 0.082 Uiso 1 1 calc R U . . .
H70R H 0.8921 0.3803 0.6430 0.082 Uiso 1 1 calc R U . . .
C709 C 0.9909(8) 0.3381(6) 0.6700(5) 0.085(5) Uani 1 1 d . . . . .
H70S H 0.9872 0.3486 0.7024 0.128 Uiso 1 1 calc R U . . .
H70T H 1.0053 0.3039 0.6696 0.128 Uiso 1 1 calc R U . . .
H70U H 1.0338 0.3567 0.6558 0.128 Uiso 1 1 calc R U . . .
C801 C 0.3624(8) 0.2853(5) 0.4603(4) 0.064(4) Uani 1 1 d . . . . .
H80A H 0.3348 0.2755 0.4884 0.077 Uiso 1 1 calc R U . . .
H80B H 0.3603 0.3208 0.4591 0.077 Uiso 1 1 calc R U . . .
C802 C 0.3106(9) 0.2676(6) 0.4194(5) 0.094(5) Uani 1 1 d . . . . .
H80C H 0.3354 0.2787 0.3908 0.113 Uiso 1 1 calc R U . . .
H80D H 0.3128 0.2322 0.4195 0.113 Uiso 1 1 calc R U . . .
C803 C 0.2232(9) 0.2822(7) 0.4161(6) 0.110(6) Uani 1 1 d . . . . .
H80E H 0.1946 0.2685 0.3878 0.166 Uiso 1 1 calc R U . . .
H80F H 0.1970 0.2705 0.4437 0.166 Uiso 1 1 calc R U . . .
H80G H 0.2196 0.3172 0.4148 0.166 Uiso 1 1 calc R U . . .
C804 C 0.5288(8) 0.2997(5) 0.4264(4) 0.058(3) Uani 1 1 d . . . . .
H80H H 0.5264 0.3344 0.4335 0.070 Uiso 1 1 calc R U . . .
H80I H 0.5877 0.2900 0.4318 0.070 Uiso 1 1 calc R U . . .
C805 C 0.5055(9) 0.2942(5) 0.3760(5) 0.076(4) Uani 1 1 d . . . . .
H80J H 0.4517 0.3105 0.3684 0.091 Uiso 1 1 calc R U . . .
H80K H 0.4975 0.2597 0.3690 0.091 Uiso 1 1 calc R U . . .
C806 C 0.5684(10) 0.3142(6) 0.3451(5) 0.100(5) Uani 1 1 d . . . . .
H80L H 0.5489 0.3093 0.3122 0.150 Uiso 1 1 calc R U . . .
H80M H 0.5757 0.3486 0.3513 0.150 Uiso 1 1 calc R U . . .
H80N H 0.6216 0.2977 0.3518 0.150 Uiso 1 1 calc R U . . .
C807 C 0.4751(9) 0.2052(4) 0.4551(4) 0.064(4) Uani 1 1 d . . . . .
H80O H 0.4421 0.2002 0.4249 0.076 Uiso 1 1 calc R U . . .
H80P H 0.5332 0.1962 0.4508 0.076 Uiso 1 1 calc R U . . .
C808 C 0.4423(11) 0.1729(5) 0.4912(5) 0.089(5) Uani 1 1 d . . . . .
H80Q H 0.4771 0.1771 0.5209 0.107 Uiso 1 1 calc R U . . .
H80R H 0.3854 0.1834 0.4967 0.107 Uiso 1 1 calc R U . . .
C809 C 0.4397(12) 0.1206(5) 0.4792(6) 0.110(6) Uani 1 1 d . . . . .
H80S H 0.4175 0.1026 0.5048 0.166 Uiso 1 1 calc R U . . .
H80T H 0.4039 0.1157 0.4504 0.166 Uiso 1 1 calc R U . . .
H80U H 0.4959 0.1094 0.4747 0.166 Uiso 1 1 calc R U . . .
C901 C 0.344(2) 0.4209(13) 0.8727(13) 0.084(10) Uani 0.457(11) 1 d . U P A 1
H90A H 0.3032 0.4333 0.8482 0.100 Uiso 0.457(11) 1 calc R U P A 1
H90B H 0.3196 0.4237 0.9031 0.100 Uiso 0.457(11) 1 calc R U P A 1
C902 C 0.421(3) 0.4528(16) 0.8742(16) 0.103(14) Uani 0.457(11) 1 d . U P A 1
H90C H 0.4696 0.4329 0.8855 0.124 Uiso 0.457(11) 1 calc R U P A 1
H90D H 0.4298 0.4621 0.8416 0.124 Uiso 0.457(11) 1 calc R U P A 1
C903 C 0.424(3) 0.4962(14) 0.9020(14) 0.101(13) Uani 0.457(11) 1 d . U P A 1
H90E H 0.4773 0.5125 0.8992 0.151 Uiso 0.457(11) 1 calc R U P A 1
H90F H 0.3786 0.5174 0.8907 0.151 Uiso 0.457(11) 1 calc R U P A 1
H90G H 0.4186 0.4880 0.9348 0.151 Uiso 0.457(11) 1 calc R U P A 1
C904 C 0.419(2) 0.3377(13) 0.9112(11) 0.067(6) Uani 0.457(11) 1 d . U P A 1
H90H H 0.4665 0.3596 0.9175 0.080 Uiso 0.457(11) 1 calc R U P A 1
H90I H 0.3833 0.3413 0.9376 0.080 Uiso 0.457(11) 1 calc R U P A 1
C905 C 0.451(2) 0.2900(12) 0.9132(11) 0.066(7) Uani 0.457(11) 1 d . U P A 1
H90J H 0.4828 0.2892 0.8852 0.079 Uiso 0.457(11) 1 calc R U P A 1
H90K H 0.4002 0.2710 0.9042 0.079 Uiso 0.457(11) 1 calc R U P A 1
C906 C 0.500(3) 0.2547(13) 0.9457(16) 0.071(9) Uani 0.457(11) 1 d . U P A 1
H90L H 0.5062 0.2241 0.9294 0.106 Uiso 0.457(11) 1 calc R U P A 1
H90M H 0.5556 0.2680 0.9545 0.106 Uiso 0.457(11) 1 calc R U P A 1
H90N H 0.4712 0.2494 0.9739 0.106 Uiso 0.457(11) 1 calc R U P A 1
C907 C 0.264(3) 0.3336(18) 0.8652(15) 0.102(15) Uani 0.457(11) 1 d . U P A 1
H90O H 0.2719 0.2985 0.8680 0.123 Uiso 0.457(11) 1 calc R U P A 1
H90P H 0.2433 0.3447 0.8949 0.123 Uiso 0.457(11) 1 calc R U P A 1
C908 C 0.197(2) 0.3420(15) 0.8278(13) 0.077(11) Uani 0.457(11) 1 d . U P A 1
H90Q H 0.2214 0.3332 0.7983 0.092 Uiso 0.457(11) 1 calc R U P A 1
H90R H 0.1894 0.3772 0.8267 0.092 Uiso 0.457(11) 1 calc R U P A 1
C909 C 0.112(4) 0.321(2) 0.8240(17) 0.086(10) Uani 0.457(11) 1 d . U P A 1
H90S H 0.0813 0.3333 0.7955 0.129 Uiso 0.457(11) 1 calc R U P A 1
H90T H 0.1156 0.2863 0.8227 0.129 Uiso 0.457(11) 1 calc R U P A 1
H90U H 0.0832 0.3308 0.8514 0.129 Uiso 0.457(11) 1 calc R U P A 1
C910 C 0.4020(18) 0.4117(9) 0.8939(9) 0.070(7) Uani 0.543(11) 1 d . U P A 2
H91A H 0.3818 0.4116 0.9256 0.084 Uiso 0.543(11) 1 calc R U P A 2
H91B H 0.4634 0.4105 0.8973 0.084 Uiso 0.543(11) 1 calc R U P A 2
C911 C 0.373(3) 0.4582(13) 0.8680(12) 0.095(11) Uani 0.543(11) 1 d . U P A 2
H91C H 0.3975 0.4549 0.8375 0.114 Uiso 0.543(11) 1 calc R U P A 2
H91D H 0.3131 0.4529 0.8612 0.114 Uiso 0.543(11) 1 calc R U P A 2
C912 C 0.379(3) 0.5109(15) 0.8769(16) 0.147(16) Uani 0.543(11) 1 d . U P A 2
H91E H 0.3512 0.5281 0.8502 0.220 Uiso 0.543(11) 1 calc R U P A 2
H91F H 0.3511 0.5186 0.9052 0.220 Uiso 0.543(11) 1 calc R U P A 2
H91G H 0.4371 0.5206 0.8811 0.220 Uiso 0.543(11) 1 calc R U P A 2
C913 C 0.3894(14) 0.3095(10) 0.9034(8) 0.052(6) Uani 0.543(11) 1 d . U P A 2
H91H H 0.3577 0.3132 0.9314 0.063 Uiso 0.543(11) 1 calc R U P A 2
H91I H 0.3738 0.2784 0.8886 0.063 Uiso 0.543(11) 1 calc R U P A 2
C914 C 0.4833(16) 0.3096(10) 0.9186(9) 0.061(6) Uani 0.543(11) 1 d . U P A 2
H91J H 0.5140 0.3029 0.8908 0.074 Uiso 0.543(11) 1 calc R U P A 2
H91K H 0.4992 0.3421 0.9299 0.074 Uiso 0.543(11) 1 calc R U P A 2
C915 C 0.508(2) 0.2765(11) 0.9537(13) 0.073(8) Uani 0.543(11) 1 d . U P A 2
H91L H 0.5683 0.2790 0.9612 0.109 Uiso 0.543(11) 1 calc R U P A 2
H91M H 0.4796 0.2833 0.9818 0.109 Uiso 0.543(11) 1 calc R U P A 2
H91N H 0.4943 0.2440 0.9427 0.109 Uiso 0.543(11) 1 calc R U P A 2
C916 C 0.2475(14) 0.3632(9) 0.8613(9) 0.054(6) Uani 0.543(11) 1 d . . P A 2
H91O H 0.2316 0.3663 0.8938 0.065 Uiso 0.543(11) 1 calc R U P A 2
H91P H 0.2273 0.3919 0.8436 0.065 Uiso 0.543(11) 1 calc R U P A 2
C917 C 0.2083(19) 0.3182(11) 0.8388(12) 0.074(9) Uani 0.543(11) 1 d . U P A 2
H91Q H 0.2286 0.2890 0.8558 0.089 Uiso 0.543(11) 1 calc R U P A 2
H91R H 0.2209 0.3155 0.8057 0.089 Uiso 0.543(11) 1 calc R U P A 2
C918 C 0.115(3) 0.3250(18) 0.8426(13) 0.084(9) Uani 0.543(11) 1 d . U P A 2
H91S H 0.0852 0.2973 0.8287 0.126 Uiso 0.543(11) 1 calc R U P A 2
H91T H 0.1044 0.3279 0.8756 0.126 Uiso 0.543(11) 1 calc R U P A 2
H91U H 0.0968 0.3542 0.8258 0.126 Uiso 0.543(11) 1 calc R U 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'
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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 0.00 -1.00 0.0200
1.00 0.00 1.00 0.0030
0.00 1.00 0.00 0.0380
0.00 -1.00 0.00 0.0430
-1.00 1.00 1.00 0.0350
1.00 -1.00 -1.00 0.0250
-1.00 -1.00 1.00 0.0340
0.00 1.00 1.00 0.0300
1.00 1.00 -1.00 0.0270
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 Au3 69.638(15) . . ?
Au2 Au1 Au4 62.821(14) . . ?
Au2 Au1 Au5 64.055(15) . . ?
Au2 Au1 Au6 95.223(17) . . ?
Au2 Au1 Au7 161.054(19) . . ?
Au2 Au1 Au8 124.428(18) . . ?
Au2 Au1 Au9 99.575(17) . . ?
Au2 Au1 Au10 127.812(18) . . ?
Au3 Au1 Au4 60.290(13) . . ?
Au3 Au1 Au6 126.123(17) . . ?
Au3 Au1 Au9 117.556(17) . . ?
Au3 Au1 Au10 162.511(19) . . ?
Au5 Au1 Au3 133.220(19) . . ?
Au5 Au1 Au4 91.929(16) . . ?
Au5 Au1 Au6 66.051(15) . . ?
Au5 Au1 Au9 65.947(15) . . ?
Au5 Au1 Au10 63.965(14) . . ?
Au6 Au1 Au4 154.847(19) . . ?
Au6 Au1 Au10 59.272(13) . . ?
Au7 Au1 Au3 100.310(17) . . ?
Au7 Au1 Au4 127.185(18) . . ?
Au7 Au1 Au5 125.945(18) . . ?
Au7 Au1 Au6 77.505(16) . . ?
Au7 Au1 Au8 63.149(15) . . ?
Au7 Au1 Au9 99.334(17) . . ?
Au7 Au1 Au10 63.375(14) . . ?
Au8 Au1 Au3 71.065(15) . . ?
Au8 Au1 Au4 64.067(14) . . ?
Au8 Au1 Au5 132.725(19) . . ?
Au8 Au1 Au6 139.987(19) . . ?
Au8 Au1 Au9 66.783(15) . . ?
Au8 Au1 Au10 94.657(16) . . ?
Au9 Au1 Au4 60.625(13) . . ?
Au9 Au1 Au6 115.843(17) . . ?
Au9 Au1 Au10 62.652(13) . . ?
Au10 Au1 Au4 123.270(16) . . ?
Ga1 Au1 Au2 79.33(3) . . ?
Ga1 Au1 Au3 64.14(3) . . ?
Ga1 Au1 Au4 120.32(3) . . ?
Ga1 Au1 Au5 111.67(3) . . ?
Ga1 Au1 Au6 62.27(3) . . ?
Ga1 Au1 Au7 81.82(3) . . ?
Ga1 Au1 Au8 115.60(3) . . ?
Ga1 Au1 Au9 177.60(3) . . ?
Ga1 Au1 Au10 116.32(3) . . ?
Au1 Au2 Au3 56.386(13) . . ?
Au1 Au2 Au4 61.715(14) . . ?
Au1 Au2 Au5 58.945(14) . . ?
Au4 Au2 Au3 56.056(13) . . ?
Au5 Au2 Au3 115.009(17) . . ?
Au5 Au2 Au4 88.611(16) . . ?
P8 Au2 Au1 173.66(8) . . ?
P8 Au2 Au3 126.18(8) . . ?
P8 Au2 Au4 124.62(8) . . ?
P8 Au2 Au5 118.81(8) . . ?
Au1 Au3 Au2 53.976(13) . . ?
Au1 Au3 Au4 61.703(13) . . ?
Au1 Au3 Au8 53.696(12) . . ?
Au1 Au3 Ga1 53.23(2) . . ?
Au2 Au3 Au8 98.646(15) . . ?
Au4 Au3 Au2 58.167(14) . . ?
Au4 Au3 Au8 58.703(13) . . ?
Ga1 Au3 Au2 67.81(3) . . ?
Ga1 Au3 Au4 111.52(3) . . ?
Ga1 Au3 Au8 94.62(3) . . ?
Ga2 Au3 Au1 114.42(3) . . ?
Ga2 Au3 Au2 81.95(3) . . ?
Ga2 Au3 Au4 53.76(3) . . ?
Ga2 Au3 Au8 97.65(3) . . ?
Ga2 Au3 Ga1 148.74(4) . . ?
P7 Au3 Au1 148.38(8) . . ?
P7 Au3 Au2 138.94(8) . . ?
P7 Au3 Au4 147.88(8) . . ?
P7 Au3 Au8 121.97(8) . . ?
P7 Au3 Ga1 100.55(8) . . ?
P7 Au3 Ga2 97.08(8) . . ?
Au1 Au4 Au2 55.464(13) . . ?
Au1 Au4 Au8 55.373(13) . . ?
Au2 Au4 Au8 109.035(16) . . ?
Au3 Au4 Au1 58.008(13) . . ?
Au3 Au4 Au2 65.777(15) . . ?
Au3 Au4 Au8 66.589(14) . . ?
Au3 Au4 Au9 112.893(17) . . ?
Au9 Au4 Au1 57.942(13) . . ?
Au9 Au4 Au2 92.905(16) . . ?
Au9 Au4 Au8 62.515(14) . . ?
Au11 Au4 Au1 176.28(2) . . ?
Au11 Au4 Au2 121.13(2) . . ?
Au11 Au4 Au3 122.879(19) . . ?
Au11 Au4 Au8 128.31(2) . . ?
Au11 Au4 Au9 122.387(18) . . ?
Ga2 Au4 Au1 116.60(3) . . ?
Ga2 Au4 Au2 89.44(3) . . ?
Ga2 Au4 Au3 59.68(3) . . ?
Ga2 Au4 Au8 107.79(3) . . ?
Ga2 Au4 Au9 170.25(4) . . ?
Ga2 Au4 Au11 63.66(3) . . ?
Ga2 Au4 Ga3 130.76(4) . . ?
Ga3 Au4 Au1 112.65(3) . . ?
Ga3 Au4 Au2 119.29(3) . . ?
Ga3 Au4 Au3 165.96(3) . . ?
Ga3 Au4 Au8 99.63(3) . . ?
Ga3 Au4 Au9 55.44(3) . . ?
Ga3 Au4 Au11 67.20(3) . . ?
Au1 Au5 Au2 57.000(14) . . ?
Au1 Au5 Au6 58.226(13) . . ?
Au1 Au5 Au9 57.462(13) . . ?
Au1 Au5 Au10 59.395(13) . . ?
Au2 Au5 Au6 86.919(16) . . ?
Au2 Au5 Au9 90.219(16) . . ?
Au2 Au5 Au10 116.231(18) . . ?
Au9 Au5 Au6 103.486(16) . . ?
Au10 Au5 Au6 55.624(13) . . ?
Au10 Au5 Au9 58.542(13) . . ?
P4 Au5 Au1 172.27(11) . . ?
P4 Au5 Au2 125.97(10) . . ?
P4 Au5 Au6 127.15(10) . . ?
P4 Au5 Au9 114.81(11) . . ?
P4 Au5 Au10 117.68(10) . . ?
Au1 Au6 Au5 55.724(13) . . ?
Au10 Au6 Au1 60.447(13) . . ?
Au10 Au6 Au5 60.685(14) . . ?
Ga1 Au6 Au1 53.03(2) . . ?
Ga1 Au6 Au5 96.71(3) . . ?
Ga1 Au6 Au10 108.99(3) . . ?
Ga5 Au6 Au1 114.07(3) . . ?
Ga5 Au6 Au5 90.60(3) . . ?
Ga5 Au6 Au10 53.62(3) . . ?
Ga5 Au6 Ga1 153.75(4) . . ?
P2 Au6 Au1 145.13(8) . . ?
P2 Au6 Au5 127.77(9) . . ?
P2 Au6 Au10 154.40(8) . . ?
P2 Au6 Ga1 94.57(8) . . ?
P2 Au6 Ga5 100.79(8) . . ?
Au1 Au7 Au8 58.621(14) . . ?
Au1 Au7 Au10 60.420(13) . . ?
Au8 Au7 Au10 90.400(16) . . ?
P5 Au7 Au1 167.02(8) . . ?
P5 Au7 Au8 133.49(8) . . ?
P5 Au7 Au10 118.43(8) . . ?
Au1 Au8 Au3 55.239(13) . . ?
Au1 Au8 Au4 60.560(14) . . ?
Au1 Au8 Au7 58.230(14) . . ?
Au1 Au8 Au9 57.524(13) . . ?
Au4 Au8 Au3 54.709(13) . . ?
Au4 Au8 Au9 56.859(13) . . ?
Au7 Au8 Au3 88.237(15) . . ?
Au7 Au8 Au4 118.764(18) . . ?
Au7 Au8 Au9 90.855(16) . . ?
Au9 Au8 Au3 99.478(15) . . ?
P6 Au8 Au1 169.48(8) . . ?
P6 Au8 Au3 129.53(9) . . ?
P6 Au8 Au4 113.08(8) . . ?
P6 Au8 Au7 127.65(9) . . ?
P6 Au8 Au9 112.18(8) . . ?
Au1 Au9 Au4 61.432(13) . . ?
Au1 Au9 Au5 56.591(13) . . ?
Au1 Au9 Au8 55.693(13) . . ?
Au1 Au9 Au10 59.624(13) . . ?
Au4 Au9 Au5 87.243(15) . . ?
Au4 Au9 Au8 60.626(14) . . ?
Au4 Au9 Au10 121.048(16) . . ?
Au5 Au9 Au8 112.282(16) . . ?
Au10 Au9 Au5 59.875(14) . . ?
Au10 Au9 Au8 86.787(15) . . ?
Au12 Au9 Au1 176.63(2) . . ?
Au12 Au9 Au4 120.533(18) . . ?
Au12 Au9 Au5 120.220(19) . . ?
Au12 Au9 Au8 127.494(19) . . ?
Au12 Au9 Au10 118.292(18) . . ?
Ga3 Au9 Au1 116.82(3) . . ?
Ga3 Au9 Au4 56.17(3) . . ?
Ga3 Au9 Au5 110.06(3) . . ?
Ga3 Au9 Au8 98.75(3) . . ?
Ga3 Au9 Au10 169.89(3) . . ?
Ga3 Au9 Au12 64.73(3) . . ?
Ga4 Au9 Au1 110.98(3) . . ?
Ga4 Au9 Au4 161.55(3) . . ?
Ga4 Au9 Au5 102.55(3) . . ?
Ga4 Au9 Au8 101.00(3) . . ?
Ga4 Au9 Au10 54.69(3) . . ?
Ga4 Au9 Au12 68.03(3) . . ?
Ga4 Au9 Ga3 131.46(4) . . ?
Au1 Au10 Au5 56.640(13) . . ?
Au1 Au10 Au7 56.205(13) . . ?
Au1 Au10 Au9 57.724(12) . . ?
Au6 Au10 Au1 60.281(13) . . ?
Au6 Au10 Au5 63.691(15) . . ?
Au6 Au10 Au7 74.699(15) . . ?
Au6 Au10 Au9 112.347(17) . . ?
Au7 Au10 Au5 111.799(16) . . ?
Au7 Au10 Au9 91.643(15) . . ?
Au9 Au10 Au5 61.584(14) . . ?
Au13 Au10 Au1 162.78(2) . . ?
Au13 Au10 Au5 139.80(2) . . ?
Au13 Au10 Au6 126.721(19) . . ?
Au13 Au10 Au7 108.300(18) . . ?
Au13 Au10 Au9 120.558(18) . . ?
Ga4 Au10 Au1 109.27(3) . . ?
Ga4 Au10 Au5 104.01(3) . . ?
Ga4 Au10 Au6 166.62(3) . . ?
Ga4 Au10 Au7 107.23(3) . . ?
Ga4 Au10 Au9 54.77(3) . . ?
Ga4 Au10 Au13 65.82(3) . . ?
Ga5 Au10 Au1 121.20(3) . . ?
Ga5 Au10 Au5 96.91(3) . . ?
Ga5 Au10 Au6 60.92(3) . . ?
Ga5 Au10 Au7 107.24(3) . . ?
Ga5 Au10 Au9 156.00(3) . . ?
Ga5 Au10 Au13 68.08(3) . . ?
Ga5 Au10 Ga4 128.81(4) . . ?
Au4 Au11 Ga2 55.39(3) . . ?
Au4 Au11 Ga3 54.76(2) . . ?
Ga2 Au11 Ga3 110.07(3) . . ?
P3 Au11 Au4 175.02(10) . . ?
P3 Au11 Ga2 119.86(10) . . ?
P3 Au11 Ga3 130.06(10) . . ?
Au9 Au12 Ga3 55.67(2) . . ?
Au9 Au12 Ga4 54.12(2) . . ?
Ga3 Au12 Ga4 108.98(3) . . ?
P1 Au12 Au9 177.15(8) . . ?
P1 Au12 Ga3 122.03(8) . . ?
P1 Au12 Ga4 128.44(8) . . ?
Au10 Au13 Ga4 55.08(2) . . ?
Au10 Au13 Ga5 53.25(2) . . ?
Ga4 Au13 Ga5 105.23(3) . . ?
P9 Au13 Au10 179.24(9) . . ?
P9 Au13 Ga4 125.45(9) . . ?
P9 Au13 Ga5 126.48(9) . . ?
Au1 Ga1 Au3 62.63(3) . . ?
Au1 Ga1 Au6 64.69(3) . . ?
Au6 Ga1 Au3 127.03(4) . . ?
Cl11 Ga1 Au1 134.04(9) . . ?
Cl11 Ga1 Au3 95.90(8) . . ?
Cl11 Ga1 Au6 117.04(9) . . ?
Cl11 Ga1 Cl12 99.22(11) . . ?
Cl12 Ga1 Au1 126.45(9) . . ?
Cl12 Ga1 Au3 115.12(9) . . ?
Cl12 Ga1 Au6 99.95(8) . . ?
Au3 Ga2 Au11 127.02(4) . . ?
Au4 Ga2 Au3 66.56(3) . . ?
Au4 Ga2 Au11 60.95(3) . . ?
Cl21 Ga2 Au3 115.66(10) . . ?
Cl21 Ga2 Au4 126.49(11) . . ?
Cl21 Ga2 Au11 101.09(10) . . ?
Cl21 Ga2 Cl22 98.53(14) . . ?
Cl22 Ga2 Au3 109.70(11) . . ?
Cl22 Ga2 Au4 132.65(12) . . ?
Cl22 Ga2 Au11 100.42(10) . . ?
Au4 Ga3 Au11 58.04(3) . . ?
Au4 Ga3 Au12 127.55(4) . . ?
Au9 Ga3 Au4 68.39(3) . . ?
Au9 Ga3 Au11 126.17(4) . . ?
Au9 Ga3 Au12 59.59(3) . . ?
Au12 Ga3 Au11 167.78(5) . . ?
Cl31 Ga3 Au4 120.50(9) . . ?
Cl31 Ga3 Au9 117.33(9) . . ?
Cl31 Ga3 Au11 95.09(9) . . ?
Cl31 Ga3 Au12 90.34(9) . . ?
Cl31 Ga3 Cl32 101.10(12) . . ?
Cl32 Ga3 Au4 120.65(9) . . ?
Cl32 Ga3 Au9 128.25(9) . . ?
Cl32 Ga3 Au11 79.51(8) . . ?
Cl32 Ga3 Au12 88.72(8) . . ?
Au9 Ga4 Au12 57.85(3) . . ?
Au9 Ga4 Au13 129.59(4) . . ?
Au10 Ga4 Au9 70.54(3) . . ?
Au10 Ga4 Au12 123.43(4) . . ?
Au10 Ga4 Au13 59.10(3) . . ?
Au13 Ga4 Au12 157.20(5) . . ?
Cl41 Ga4 Au9 110.09(9) . . ?
Cl41 Ga4 Au10 120.10(9) . . ?
Cl41 Ga4 Au12 99.14(9) . . ?
Cl41 Ga4 Au13 97.23(9) . . ?
Cl41 Ga4 Cl42 101.56(13) . . ?
Cl42 Ga4 Au9 128.01(9) . . ?
Cl42 Ga4 Au10 125.41(9) . . ?
Cl42 Ga4 Au12 77.58(8) . . ?
Cl42 Ga4 Au13 83.68(8) . . ?
Au6 Ga5 Au13 122.08(4) . . ?
Au10 Ga5 Au6 65.46(3) . . ?
Au10 Ga5 Au13 58.68(3) . . ?
Cl51 Ga5 Au6 115.56(10) . . ?
Cl51 Ga5 Au10 119.56(10) . . ?
Cl51 Ga5 Au13 104.36(11) . . ?
Cl51 Ga5 Cl52 98.83(13) . . ?
Cl52 Ga5 Au6 115.92(10) . . ?
Cl52 Ga5 Au10 137.31(10) . . ?
Cl52 Ga5 Au13 96.16(9) . . ?
C101 P1 Au12 111.5(5) . . ?
C104 P1 Au12 114.5(4) . . ?
C104 P1 C101 104.1(6) . . ?
C107 P1 Au12 114.2(4) . . ?
C107 P1 C101 105.4(7) . . ?
C107 P1 C104 106.2(6) . . ?
C201 P2 Au6 114.4(4) . . ?
C204 P2 Au6 111.2(4) . . ?
C204 P2 C201 104.3(6) . . ?
C207 P2 Au6 120.1(5) . . ?
C207 P2 C201 99.8(7) . . ?
C207 P2 C204 105.4(6) . . ?
C301 P3 Au11 112.9(5) . . ?
C301 P3 C310 92.4(9) . . ?
C304 P3 Au11 113.8(5) . . ?
C304 P3 C301 107.1(7) . . ?
C304 P3 C310 117.3(10) . . ?
C307 P3 Au11 113.8(13) . . ?
C307 P3 C301 113.6(15) . . ?
C307 P3 C304 94.2(14) . . ?
C310 P3 Au11 111.4(9) . . ?
C401 P4 Au5 110.7(5) . . ?
C401 P4 C407 93.3(11) . . ?
C401 P4 C410 104.9(19) . . ?
C404 P4 Au5 124.1(9) . . ?
C404 P4 C401 112.8(10) . . ?
C404 P4 C407 95.9(12) . . ?
C407 P4 Au5 114.8(10) . . ?
C410 P4 Au5 99.5(11) . . ?
C413 P4 Au5 121.6(9) . . ?
C413 P4 C401 115.1(11) . . ?
C413 P4 C410 101.6(18) . . ?
C501 P5 Au7 116.8(4) . . ?
C501 P5 C504 104.9(6) . . ?
C504 P5 Au7 112.4(4) . . ?
C507 P5 Au7 112.8(5) . . ?
C507 P5 C501 104.7(6) . . ?
C507 P5 C504 104.0(7) . . ?
C601 P6 Au8 111.9(4) . . ?
C601 P6 C604 101.6(6) . . ?
C604 P6 Au8 112.6(4) . . ?
C607 P6 Au8 121.3(5) . . ?
C607 P6 C601 106.8(6) . . ?
C607 P6 C604 100.4(7) . . ?
C701 P7 Au3 115.0(4) . . ?
C701 P7 C707 104.4(6) . . ?
C704 P7 Au3 117.4(4) . . ?
C704 P7 C701 103.8(6) . . ?
C704 P7 C707 103.7(6) . . ?
C707 P7 Au3 111.1(4) . . ?
C801 P8 Au2 109.4(4) . . ?
C801 P8 C804 107.5(6) . . ?
C804 P8 Au2 113.9(4) . . ?
C807 P8 Au2 115.1(4) . . ?
C807 P8 C801 104.9(6) . . ?
C807 P8 C804 105.5(6) . . ?
C901 P9 Au13 113.6(12) . . ?
C904 P9 Au13 119.9(11) . . ?
C904 P9 C901 105.3(17) . . ?
C904 P9 C907 103.4(18) . . ?
C907 P9 Au13 109.8(15) . . ?
C907 P9 C901 103.2(19) . . ?
C910 P9 Au13 118.5(9) . . ?
C910 P9 C913 102.1(11) . . ?
C910 P9 C916 105.4(12) . . ?
C913 P9 Au13 112.3(8) . . ?
C916 P9 Au13 113.4(8) . . ?
C916 P9 C913 103.6(11) . . ?
P1 C101 H10A 108.2 . . ?
P1 C101 H10B 108.2 . . ?
H10A C101 H10B 107.3 . . ?
C102 C101 P1 116.4(11) . . ?
C102 C101 H10A 108.2 . . ?
C102 C101 H10B 108.2 . . ?
C101 C102 H10C 108.6 . . ?
C101 C102 H10D 108.6 . . ?
C101 C102 C103 114.8(13) . . ?
H10C C102 H10D 107.5 . . ?
C103 C102 H10C 108.6 . . ?
C103 C102 H10D 108.6 . . ?
C102 C103 H10E 109.5 . . ?
C102 C103 H10F 109.5 . . ?
C102 C103 H10G 109.5 . . ?
H10E C103 H10F 109.5 . . ?
H10E C103 H10G 109.5 . . ?
H10F C103 H10G 109.5 . . ?
P1 C104 H10H 108.0 . . ?
P1 C104 H10I 108.0 . . ?
H10H C104 H10I 107.2 . . ?
C105 C104 P1 117.3(8) . . ?
C105 C104 H10H 108.0 . . ?
C105 C104 H10I 108.0 . . ?
C104 C105 H10J 109.1 . . ?
C104 C105 H10K 109.1 . . ?
H10J C105 H10K 107.8 . . ?
C106 C105 C104 112.6(10) . . ?
C106 C105 H10J 109.1 . . ?
C106 C105 H10K 109.1 . . ?
C105 C106 H10L 109.5 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
H10L C106 H10M 109.5 . . ?
H10L C106 H10N 109.5 . . ?
H10M C106 H10N 109.5 . . ?
P1 C107 H10O 109.0 . . ?
P1 C107 H10P 109.0 . . ?
H10O C107 H10P 107.8 . . ?
C108 C107 P1 112.9(11) . . ?
C108 C107 H10O 109.0 . . ?
C108 C107 H10P 109.0 . . ?
C107 C108 H10Q 108.6 . . ?
C107 C108 H10R 108.6 . . ?
C107 C108 C109 114.5(18) . . ?
H10Q C108 H10R 107.6 . . ?
C109 C108 H10Q 108.6 . . ?
C109 C108 H10R 108.6 . . ?
C108 C109 H10S 109.5 . . ?
C108 C109 H10T 109.5 . . ?
C108 C109 H10U 109.5 . . ?
H10S C109 H10T 109.5 . . ?
H10S C109 H10U 109.5 . . ?
H10T C109 H10U 109.5 . . ?
P2 C201 H20K 108.3 . . ?
P2 C201 H20L 108.3 . . ?
H20K C201 H20L 107.4 . . ?
C202 C201 P2 115.9(10) . . ?
C202 C201 H20K 108.3 . . ?
C202 C201 H20L 108.3 . . ?
C201 C202 H20M 109.0 . . ?
C201 C202 H20N 109.0 . . ?
C201 C202 C203 112.7(15) . . ?
H20M C202 H20N 107.8 . . ?
C203 C202 H20M 109.0 . . ?
C203 C202 H20N 109.0 . . ?
C202 C203 H20A 109.5 . . ?
C202 C203 H20B 109.5 . . ?
C202 C203 H20C 109.5 . . ?
H20A C203 H20B 109.5 . . ?
H20A C203 H20C 109.5 . . ?
H20B C203 H20C 109.5 . . ?
P2 C204 H20O 108.0 . . ?
P2 C204 H20P 108.0 . . ?
H20O C204 H20P 107.2 . . ?
C205 C204 P2 117.4(9) . . ?
C205 C204 H20O 108.0 . . ?
C205 C204 H20P 108.0 . . ?
C204 C205 H20Q 110.4 . . ?
C204 C205 H20R 110.4 . . ?
C204 C205 C206 106.8(14) . . ?
H20Q C205 H20R 108.6 . . ?
C206 C205 H20Q 110.4 . . ?
C206 C205 H20R 110.4 . . ?
C205 C206 H20S 109.5 . . ?
C205 C206 H20T 109.5 . . ?
C205 C206 H20U 109.5 . . ?
H20S C206 H20T 109.5 . . ?
H20S C206 H20U 109.5 . . ?
H20T C206 H20U 109.5 . . ?
P2 C207 H20D 109.2 . . ?
P2 C207 H20E 109.2 . . ?
H20D C207 H20E 107.9 . . ?
C208 C207 P2 111.9(10) . . ?
C208 C207 H20D 109.2 . . ?
C208 C207 H20E 109.2 . . ?
C207 C208 H20F 109.4 . . ?
C207 C208 H20G 109.4 . . ?
C207 C208 C209 111.2(11) . . ?
H20F C208 H20G 108.0 . . ?
C209 C208 H20F 109.4 . . ?
C209 C208 H20G 109.4 . . ?
C208 C209 H20H 109.5 . . ?
C208 C209 H20I 109.5 . . ?
C208 C209 H20J 109.5 . . ?
H20H C209 H20I 109.5 . . ?
H20H C209 H20J 109.5 . . ?
H20I C209 H20J 109.5 . . ?
P3 C301 H30A 109.0 . . ?
P3 C301 H30B 109.0 . . ?
H30A C301 H30B 107.8 . . ?
C302 C301 P3 113.0(9) . . ?
C302 C301 H30A 109.0 . . ?
C302 C301 H30B 109.0 . . ?
C301 C302 H30C 109.2 . . ?
C301 C302 H30D 109.2 . . ?
C301 C302 C303 112.2(12) . . ?
H30C C302 H30D 107.9 . . ?
C303 C302 H30C 109.2 . . ?
C303 C302 H30D 109.2 . . ?
C302 C303 H30E 109.5 . . ?
C302 C303 H30F 109.5 . . ?
C302 C303 H30G 109.5 . . ?
H30E C303 H30F 109.5 . . ?
H30E C303 H30G 109.5 . . ?
H30F C303 H30G 109.5 . . ?
P3 C304 H30H 107.9 . . ?
P3 C304 H30I 107.9 . . ?
H30H C304 H30I 107.2 . . ?
C305 C304 P3 117.5(13) . . ?
C305 C304 H30H 107.9 . . ?
C305 C304 H30I 107.9 . . ?
C304 C305 H30J 109.3 . . ?
C304 C305 H30K 109.3 . . ?
H30J C305 H30K 108.0 . . ?
C306 C305 C304 111.6(17) . . ?
C306 C305 H30J 109.3 . . ?
C306 C305 H30K 109.3 . . ?
C305 C306 H30L 109.5 . . ?
C305 C306 H30M 109.5 . . ?
C305 C306 H30N 109.5 . . ?
H30L C306 H30M 109.5 . . ?
H30L C306 H30N 109.5 . . ?
H30M C306 H30N 109.5 . . ?
P3 C307 H30O 109.0 . . ?
P3 C307 H30P 109.0 . . ?
H30O C307 H30P 107.8 . . ?
C308 C307 P3 113(2) . . ?
C308 C307 H30O 109.0 . . ?
C308 C307 H30P 109.0 . . ?
C307 C308 H30Q 108.6 . . ?
C307 C308 H30R 108.6 . . ?
H30Q C308 H30R 107.6 . . ?
C309 C308 C307 115(3) . . ?
C309 C308 H30Q 108.6 . . ?
C309 C308 H30R 108.6 . . ?
C308 C309 H30S 109.5 . . ?
C308 C309 H30T 109.5 . . ?
C308 C309 H30U 109.5 . . ?
H30S C309 H30T 109.5 . . ?
H30S C309 H30U 109.5 . . ?
H30T C309 H30U 109.5 . . ?
P3 C310 H31A 111.2 . . ?
P3 C310 H31B 111.2 . . ?
H31A C310 H31B 109.1 . . ?
C311 C310 P3 103(3) . . ?
C311 C310 H31A 111.2 . . ?
C311 C310 H31B 111.2 . . ?
C310 C311 H31C 110.5 . . ?
C310 C311 H31D 110.5 . . ?
C310 C311 C312 106(3) . . ?
H31C C311 H31D 108.6 . . ?
C312 C311 H31C 110.5 . . ?
C312 C311 H31D 110.5 . . ?
C311 C312 H31E 109.5 . . ?
C311 C312 H31F 109.5 . . ?
C311 C312 H31G 109.5 . . ?
H31E C312 H31F 109.5 . . ?
H31E C312 H31G 109.5 . . ?
H31F C312 H31G 109.5 . . ?
P4 C401 H40A 106.5 . . ?
P4 C401 H40B 106.5 . . ?
H40A C401 H40B 106.5 . . ?
C402 C401 P4 123.5(9) . . ?
C402 C401 H40A 106.5 . . ?
C402 C401 H40B 106.5 . . ?
C401 C402 H40C 109.2 . . ?
C401 C402 H40D 109.2 . . ?
H40C C402 H40D 107.9 . . ?
C403 C402 C401 112.1 . . ?
C403 C402 H40C 109.2 . . ?
C403 C402 H40D 109.2 . . ?
C402 C403 H40E 109.5 . . ?
C402 C403 H40F 109.5 . . ?
C402 C403 H40G 109.5 . . ?
H40E C403 H40F 109.5 . . ?
H40E C403 H40G 109.5 . . ?
H40F C403 H40G 109.5 . . ?
P4 C404 H40H 109.7 . . ?
P4 C404 H40I 109.7 . . ?
H40H C404 H40I 108.2 . . ?
C405 C404 P4 110(2) . . ?
C405 C404 H40H 109.7 . . ?
C405 C404 H40I 109.7 . . ?
C404 C405 H40J 108.4 . . ?
C404 C405 H40K 108.4 . . ?
C404 C405 C406 115(5) . . ?
H40J C405 H40K 107.5 . . ?
C406 C405 H40J 108.4 . . ?
C406 C405 H40K 108.4 . . ?
C405 C406 H40L 109.5 . . ?
C405 C406 H40M 109.5 . . ?
C405 C406 H40N 109.5 . . ?
H40L C406 H40M 109.5 . . ?
H40L C406 H40N 109.5 . . ?
H40M C406 H40N 109.5 . . ?
P4 C407 H40O 109.8 . . ?
P4 C407 H40P 109.8 . . ?
H40O C407 H40P 108.2 . . ?
C408 C407 P4 109.6(19) . . ?
C408 C407 H40O 109.8 . . ?
C408 C407 H40P 109.8 . . ?
C407 C408 H40Q 108.4 . . ?
C407 C408 H40R 108.4 . . ?
H40Q C408 H40R 107.4 . . ?
C409 C408 C407 116(3) . . ?
C409 C408 H40Q 108.4 . . ?
C409 C408 H40R 108.4 . . ?
C408 C409 H40S 109.5 . . ?
C408 C409 H40T 109.5 . . ?
C408 C409 H40U 109.5 . . ?
H40S C409 H40T 109.5 . . ?
H40S C409 H40U 109.5 . . ?
H40T C409 H40U 109.5 . . ?
P4 C410 H41A 108.9 . . ?
P4 C410 H41B 108.9 . . ?
H41A C410 H41B 107.7 . . ?
C411 C410 P4 113(3) . . ?
C411 C410 H41A 108.9 . . ?
C411 C410 H41B 108.9 . . ?
C410 C411 H41C 109.2 . . ?
C410 C411 H41D 109.2 . . ?
H41C C411 H41D 107.9 . . ?
C412 C411 C410 112.2 . . ?
C412 C411 H41C 109.2 . . ?
C412 C411 H41D 109.2 . . ?
C411 C412 H41E 109.5 . . ?
C411 C412 H41F 109.5 . . ?
C411 C412 H41G 109.5 . . ?
H41E C412 H41F 109.5 . . ?
H41E C412 H41G 109.5 . . ?
H41F C412 H41G 109.5 . . ?
P4 C413 H41H 108.9 . . ?
P4 C413 H41I 108.9 . . ?
H41H C413 H41I 107.7 . . ?
C414 C413 P4 113(2) . . ?
C414 C413 H41H 108.9 . . ?
C414 C413 H41I 108.9 . . ?
C413 C414 H41J 107.4 . . ?
C413 C414 H41K 107.4 . . ?
C413 C414 C415 120(3) . . ?
H41J C414 H41K 106.9 . . ?
C415 C414 H41J 107.4 . . ?
C415 C414 H41K 107.4 . . ?
C414 C415 H41L 109.5 . . ?
C414 C415 H41M 109.5 . . ?
C414 C415 H41N 109.5 . . ?
H41L C415 H41M 109.5 . . ?
H41L C415 H41N 109.5 . . ?
H41M C415 H41N 109.5 . . ?
P5 C501 H50A 108.5 . . ?
P5 C501 H50B 108.5 . . ?
H50A C501 H50B 107.5 . . ?
C502 C501 P5 115.3(9) . . ?
C502 C501 H50A 108.5 . . ?
C502 C501 H50B 108.5 . . ?
C501 C502 H50C 108.8 . . ?
C501 C502 H50D 108.8 . . ?
C501 C502 C503 113.8(12) . . ?
H50C C502 H50D 107.7 . . ?
C503 C502 H50C 108.8 . . ?
C503 C502 H50D 108.8 . . ?
C502 C503 H50E 109.5 . . ?
C502 C503 H50F 109.5 . . ?
C502 C503 H50G 109.5 . . ?
H50E C503 H50F 109.5 . . ?
H50E C503 H50G 109.5 . . ?
H50F C503 H50G 109.5 . . ?
P5 C504 H50H 108.6 . . ?
P5 C504 H50I 108.6 . . ?
H50H C504 H50I 107.6 . . ?
C505 C504 P5 114.7(8) . . ?
C505 C504 H50H 108.6 . . ?
C505 C504 H50I 108.6 . . ?
C504 C505 H50J 109.4 . . ?
C504 C505 H50K 109.4 . . ?
C504 C505 C506 111.2(12) . . ?
H50J C505 H50K 108.0 . . ?
C506 C505 H50J 109.4 . . ?
C506 C505 H50K 109.4 . . ?
C505 C506 H50L 109.5 . . ?
C505 C506 H50M 109.5 . . ?
C505 C506 H50N 109.5 . . ?
H50L C506 H50M 109.5 . . ?
H50L C506 H50N 109.5 . . ?
H50M C506 H50N 109.5 . . ?
P5 C507 H50O 108.3 . . ?
P5 C507 H50P 108.3 . . ?
H50O C507 H50P 107.4 . . ?
C508 C507 P5 116.1(10) . . ?
C508 C507 H50O 108.3 . . ?
C508 C507 H50P 108.3 . . ?
C507 C508 H50Q 108.9 . . ?
C507 C508 H50R 108.9 . . ?
H50Q C508 H50R 107.7 . . ?
C509 C508 C507 113.6(15) . . ?
C509 C508 H50Q 108.9 . . ?
C509 C508 H50R 108.9 . . ?
C508 C509 H50S 109.5 . . ?
C508 C509 H50T 109.5 . . ?
C508 C509 H50U 109.5 . . ?
H50S C509 H50T 109.5 . . ?
H50S C509 H50U 109.5 . . ?
H50T C509 H50U 109.5 . . ?
P6 C601 H60A 107.1 . . ?
P6 C601 H60B 107.1 . . ?
H60A C601 H60B 106.8 . . ?
C602 C601 P6 120.8(8) . . ?
C602 C601 H60A 107.1 . . ?
C602 C601 H60B 107.1 . . ?
C601 C602 H60C 108.5 . . ?
C601 C602 H60D 108.5 . . ?
H60C C602 H60D 107.5 . . ?
C603 C602 C601 115.2(11) . . ?
C603 C602 H60C 108.5 . . ?
C603 C602 H60D 108.5 . . ?
C602 C603 H60E 109.5 . . ?
C602 C603 H60F 109.5 . . ?
C602 C603 H60G 109.5 . . ?
H60E C603 H60F 109.5 . . ?
H60E C603 H60G 109.5 . . ?
H60F C603 H60G 109.5 . . ?
P6 C604 H60H 109.1 . . ?
P6 C604 H60I 109.1 . . ?
H60H C604 H60I 107.8 . . ?
C605 C604 P6 112.5(10) . . ?
C605 C604 H60H 109.1 . . ?
C605 C604 H60I 109.1 . . ?
C604 C605 H60J 109.1 . . ?
C604 C605 H60K 109.1 . . ?
C604 C605 C606 112.4(12) . . ?
H60J C605 H60K 107.9 . . ?
C606 C605 H60J 109.1 . . ?
C606 C605 H60K 109.1 . . ?
C605 C606 H60L 109.5 . . ?
C605 C606 H60M 109.5 . . ?
C605 C606 H60N 109.5 . . ?
H60L C606 H60M 109.5 . . ?
H60L C606 H60N 109.5 . . ?
H60M C606 H60N 109.5 . . ?
P6 C607 H60O 108.8 . . ?
P6 C607 H60P 108.8 . . ?
H60O C607 H60P 107.7 . . ?
C608 C607 P6 113.9(11) . . ?
C608 C607 H60O 108.8 . . ?
C608 C607 H60P 108.8 . . ?
C607 C608 H60Q 109.8 . . ?
C607 C608 H60R 109.8 . . ?
C607 C608 C609 109.2(13) . . ?
H60Q C608 H60R 108.3 . . ?
C609 C608 H60Q 109.8 . . ?
C609 C608 H60R 109.8 . . ?
C608 C609 H60S 109.5 . . ?
C608 C609 H60T 109.5 . . ?
C608 C609 H60U 109.5 . . ?
H60S C609 H60T 109.5 . . ?
H60S C609 H60U 109.5 . . ?
H60T C609 H60U 109.5 . . ?
P7 C701 H70A 108.8 . . ?
P7 C701 H70B 108.8 . . ?
H70A C701 H70B 107.7 . . ?
C702 C701 P7 113.8(8) . . ?
C702 C701 H70A 108.8 . . ?
C702 C701 H70B 108.8 . . ?
C701 C702 H70C 109.2 . . ?
C701 C702 H70D 109.2 . . ?
H70C C702 H70D 107.9 . . ?
C703 C702 C701 112.1(12) . . ?
C703 C702 H70C 109.2 . . ?
C703 C702 H70D 109.2 . . ?
C702 C703 H70E 109.5 . . ?
C702 C703 H70F 109.5 . . ?
C702 C703 H70G 109.5 . . ?
H70E C703 H70F 109.5 . . ?
H70E C703 H70G 109.5 . . ?
H70F C703 H70G 109.5 . . ?
P7 C704 H70H 107.9 . . ?
P7 C704 H70I 107.9 . . ?
H70H C704 H70I 107.2 . . ?
C705 C704 P7 117.5(8) . . ?
C705 C704 H70H 107.9 . . ?
C705 C704 H70I 107.9 . . ?
C704 C705 H70J 109.1 . . ?
C704 C705 H70K 109.1 . . ?
C704 C705 C706 112.4(11) . . ?
H70J C705 H70K 107.9 . . ?
C706 C705 H70J 109.1 . . ?
C706 C705 H70K 109.1 . . ?
C705 C706 H70L 109.5 . . ?
C705 C706 H70M 109.5 . . ?
C705 C706 H70N 109.5 . . ?
H70L C706 H70M 109.5 . . ?
H70L C706 H70N 109.5 . . ?
H70M C706 H70N 109.5 . . ?
P7 C707 H70O 108.9 . . ?
P7 C707 H70P 108.9 . . ?
H70O C707 H70P 107.7 . . ?
C708 C707 P7 113.3(9) . . ?
C708 C707 H70O 108.9 . . ?
C708 C707 H70P 108.9 . . ?
C707 C708 H70Q 109.3 . . ?
C707 C708 H70R 109.3 . . ?
C707 C708 C709 111.8(11) . . ?
H70Q C708 H70R 107.9 . . ?
C709 C708 H70Q 109.3 . . ?
C709 C708 H70R 109.3 . . ?
C708 C709 H70S 109.5 . . ?
C708 C709 H70T 109.5 . . ?
C708 C709 H70U 109.5 . . ?
H70S C709 H70T 109.5 . . ?
H70S C709 H70U 109.5 . . ?
H70T C709 H70U 109.5 . . ?
P8 C801 H80A 107.0 . . ?
P8 C801 H80B 107.0 . . ?
H80A C801 H80B 106.7 . . ?
C802 C801 P8 121.5(10) . . ?
C802 C801 H80A 107.0 . . ?
C802 C801 H80B 107.0 . . ?
C801 C802 H80C 108.2 . . ?
C801 C802 H80D 108.2 . . ?
H80C C802 H80D 107.4 . . ?
C803 C802 C801 116.2(13) . . ?
C803 C802 H80C 108.2 . . ?
C803 C802 H80D 108.2 . . ?
C802 C803 H80E 109.5 . . ?
C802 C803 H80F 109.5 . . ?
C802 C803 H80G 109.5 . . ?
H80E C803 H80F 109.5 . . ?
H80E C803 H80G 109.5 . . ?
H80F C803 H80G 109.5 . . ?
P8 C804 H80H 107.0 . . ?
P8 C804 H80I 107.0 . . ?
H80H C804 H80I 106.7 . . ?
C805 C804 P8 121.4(10) . . ?
C805 C804 H80H 107.0 . . ?
C805 C804 H80I 107.0 . . ?
C804 C805 H80J 108.8 . . ?
C804 C805 H80K 108.8 . . ?
C804 C805 C806 114.0(13) . . ?
H80J C805 H80K 107.7 . . ?
C806 C805 H80J 108.8 . . ?
C806 C805 H80K 108.8 . . ?
C805 C806 H80L 109.5 . . ?
C805 C806 H80M 109.5 . . ?
C805 C806 H80N 109.5 . . ?
H80L C806 H80M 109.5 . . ?
H80L C806 H80N 109.5 . . ?
H80M C806 H80N 109.5 . . ?
P8 C807 H80O 108.9 . . ?
P8 C807 H80P 108.9 . . ?
H80O C807 H80P 107.7 . . ?
C808 C807 P8 113.4(9) . . ?
C808 C807 H80O 108.9 . . ?
C808 C807 H80P 108.9 . . ?
C807 C808 H80Q 108.4 . . ?
C807 C808 H80R 108.4 . . ?
H80Q C808 H80R 107.4 . . ?
C809 C808 C807 115.6(12) . . ?
C809 C808 H80Q 108.4 . . ?
C809 C808 H80R 108.4 . . ?
C808 C809 H80S 109.5 . . ?
C808 C809 H80T 109.5 . . ?
C808 C809 H80U 109.5 . . ?
H80S C809 H80T 109.5 . . ?
H80S C809 H80U 109.5 . . ?
H80T C809 H80U 109.5 . . ?
P9 C901 H90A 108.4 . . ?
P9 C901 H90B 108.4 . . ?
H90A C901 H90B 107.5 . . ?
C902 C901 P9 115(3) . . ?
C902 C901 H90A 108.4 . . ?
C902 C901 H90B 108.4 . . ?
C901 C902 H90C 107.5 . . ?
C901 C902 H90D 107.5 . . ?
H90C C902 H90D 107.0 . . ?
C903 C902 C901 119(4) . . ?
C903 C902 H90C 107.5 . . ?
C903 C902 H90D 107.5 . . ?
C902 C903 H90E 109.5 . . ?
C902 C903 H90F 109.5 . . ?
C902 C903 H90G 109.5 . . ?
H90E C903 H90F 109.5 . . ?
H90E C903 H90G 109.5 . . ?
H90F C903 H90G 109.5 . . ?
P9 C904 H90H 107.0 . . ?
P9 C904 H90I 107.0 . . ?
H90H C904 H90I 106.7 . . ?
C905 C904 P9 121(3) . . ?
C905 C904 H90H 107.0 . . ?
C905 C904 H90I 107.0 . . ?
C904 C905 H90J 101.4 . . ?
C904 C905 H90K 101.4 . . ?
C904 C905 C906 142(3) . . ?
H90J C905 H90K 104.6 . . ?
C906 C905 H90J 101.4 . . ?
C906 C905 H90K 101.4 . . ?
C905 C906 H90L 109.5 . . ?
C905 C906 H90M 109.5 . . ?
C905 C906 H90N 109.5 . . ?
H90L C906 H90M 109.5 . . ?
H90L C906 H90N 109.5 . . ?
H90M C906 H90N 109.5 . . ?
P9 C907 H90O 107.3 . . ?
P9 C907 H90P 107.3 . . ?
H90O C907 H90P 106.9 . . ?
C908 C907 P9 120(3) . . ?
C908 C907 H90O 107.3 . . ?
C908 C907 H90P 107.3 . . ?
C907 C908 H90Q 105.4 . . ?
C907 C908 H90R 105.4 . . ?
C907 C908 C909 127(4) . . ?
H90Q C908 H90R 106.0 . . ?
C909 C908 H90Q 105.4 . . ?
C909 C908 H90R 105.4 . . ?
C908 C909 H90S 109.5 . . ?
C908 C909 H90T 109.5 . . ?
C908 C909 H90U 109.5 . . ?
H90S C909 H90T 109.5 . . ?
H90S C909 H90U 109.5 . . ?
H90T C909 H90U 109.5 . . ?
P9 C910 H91A 109.6 . . ?
P9 C910 H91B 109.6 . . ?
H91A C910 H91B 108.1 . . ?
C911 C910 P9 110(2) . . ?
C911 C910 H91A 109.6 . . ?
C911 C910 H91B 109.6 . . ?
C910 C911 H91C 102.8 . . ?
C910 C911 H91D 102.8 . . ?
H91C C911 H91D 105.0 . . ?
C912 C911 C910 137(3) . . ?
C912 C911 H91C 102.8 . . ?
C912 C911 H91D 102.8 . . ?
C911 C912 H91E 109.5 . . ?
C911 C912 H91F 109.5 . . ?
C911 C912 H91G 109.5 . . ?
H91E C912 H91F 109.5 . . ?
H91E C912 H91G 109.5 . . ?
H91F C912 H91G 109.5 . . ?
P9 C913 H91H 109.4 . . ?
P9 C913 H91I 109.4 . . ?
H91H C913 H91I 108.0 . . ?
C914 C913 P9 111.1(18) . . ?
C914 C913 H91H 109.4 . . ?
C914 C913 H91I 109.4 . . ?
C913 C914 H91J 108.5 . . ?
C913 C914 H91K 108.5 . . ?
H91J C914 H91K 107.5 . . ?
C915 C914 C913 115(3) . . ?
C915 C914 H91J 108.5 . . ?
C915 C914 H91K 108.5 . . ?
C914 C915 H91L 109.5 . . ?
C914 C915 H91M 109.5 . . ?
C914 C915 H91N 109.5 . . ?
H91L C915 H91M 109.5 . . ?
H91L C915 H91N 109.5 . . ?
H91M C915 H91N 109.5 . . ?
P9 C916 H91O 109.8 . . ?
P9 C916 H91P 109.8 . . ?
H91O C916 H91P 108.3 . . ?
C917 C916 P9 109.3(18) . . ?
C917 C916 H91O 109.8 . . ?
C917 C916 H91P 109.8 . . ?
C916 C917 H91Q 110.9 . . ?
C916 C917 H91R 110.9 . . ?
C916 C917 C918 104(3) . . ?
H91Q C917 H91R 108.9 . . ?
C918 C917 H91Q 110.9 . . ?
C918 C917 H91R 110.9 . . ?
C917 C918 H91S 109.5 . . ?
C917 C918 H91T 109.5 . . ?
C917 C918 H91U 109.5 . . ?
H91S C918 H91T 109.5 . . ?
H91S C918 H91U 109.5 . . ?
H91T C918 H91U 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 2.6701(5) . ?
Au1 Au3 2.7494(5) . ?
Au1 Au4 2.8543(5) . ?
Au1 Au5 2.7274(6) . ?
Au1 Au6 2.8059(5) . ?
Au1 Au7 2.6857(5) . ?
Au1 Au8 2.6970(5) . ?
Au1 Au9 2.7544(5) . ?
Au1 Au10 2.8106(5) . ?
Au1 Ga1 2.4798(11) . ?
Au2 Au3 3.0951(6) . ?
Au2 Au4 2.8834(6) . ?
Au2 Au5 2.8629(6) . ?
Au2 P8 2.268(3) . ?
Au3 Au4 2.8156(5) . ?
Au3 Au8 3.1655(6) . ?
Au3 Ga1 2.7859(12) . ?
Au3 Ga2 2.6489(12) . ?
Au3 P7 2.338(3) . ?
Au4 Au8 2.9475(6) . ?
Au4 Au9 2.8321(5) . ?
Au4 Au11 2.6290(6) . ?
Au4 Ga2 2.4750(12) . ?
Au4 Ga3 2.5305(11) . ?
Au5 Au6 3.0165(6) . ?
Au5 Au9 2.9836(6) . ?
Au5 Au10 2.9341(6) . ?
Au5 P4 2.285(3) . ?
Au6 Au10 2.7773(5) . ?
Au6 Ga1 2.7474(12) . ?
Au6 Ga5 2.6682(12) . ?
Au6 P2 2.337(3) . ?
Au7 Au8 2.8184(6) . ?
Au7 Au10 2.8891(6) . ?
Au7 P5 2.283(3) . ?
Au8 Au9 3.0006(6) . ?
Au8 P6 2.290(3) . ?
Au9 Au10 2.8937(5) . ?
Au9 Au12 2.6196(5) . ?
Au9 Ga3 2.5085(11) . ?
Au9 Ga4 2.5070(11) . ?
Au10 Au13 2.6207(5) . ?
Au10 Ga4 2.5043(11) . ?
Au10 Ga5 2.4581(11) . ?
Au11 Ga2 2.6950(13) . ?
Au11 Ga3 2.8564(11) . ?
Au11 P3 2.301(3) . ?
Au12 Ga3 2.7469(11) . ?
Au12 Ga4 2.8693(12) . ?
Au12 P1 2.309(3) . ?
Au13 Ga4 2.7864(12) . ?
Au13 Ga5 2.8461(12) . ?
Au13 P9 2.295(3) . ?
Ga1 Cl11 2.259(3) . ?
Ga1 Cl12 2.265(3) . ?
Ga2 Cl21 2.226(3) . ?
Ga2 Cl22 2.237(3) . ?
Ga3 Cl31 2.239(3) . ?
Ga3 Cl32 2.270(3) . ?
Ga4 Cl41 2.239(3) . ?
Ga4 Cl42 2.255(3) . ?
Ga5 Cl51 2.224(3) . ?
Ga5 Cl52 2.236(3) . ?
P1 C101 1.849(14) . ?
P1 C104 1.798(11) . ?
P1 C107 1.786(14) . ?
P2 C201 1.861(14) . ?
P2 C204 1.846(11) . ?
P2 C207 1.803(14) . ?
P3 C301 1.818(14) . ?
P3 C304 1.818(15) . ?
P3 C307 1.70(4) . ?
P3 C310 2.00(3) . ?
P4 C401 1.776(13) . ?
P4 C404 1.70(2) . ?
P4 C407 1.96(3) . ?
P4 C410 1.98(4) . ?
P4 C413 1.70(2) . ?
P5 C501 1.813(12) . ?
P5 C504 1.817(12) . ?
P5 C507 1.813(12) . ?
P6 C601 1.801(11) . ?
P6 C604 1.898(13) . ?
P6 C607 1.766(14) . ?
P7 C701 1.821(11) . ?
P7 C704 1.810(11) . ?
P7 C707 1.824(13) . ?
P8 C801 1.830(13) . ?
P8 C804 1.841(12) . ?
P8 C807 1.819(12) . ?
P9 C901 1.78(4) . ?
P9 C904 1.74(3) . ?
P9 C907 1.74(4) . ?
P9 C910 1.83(3) . ?
P9 C913 1.86(3) . ?
P9 C916 1.85(2) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.459(18) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C102 C103 1.498(19) . ?
C103 H10E 0.9800 . ?
C103 H10F 0.9800 . ?
C103 H10G 0.9800 . ?
C104 H10H 0.9900 . ?
C104 H10I 0.9900 . ?
C104 C105 1.538(14) . ?
C105 H10J 0.9900 . ?
C105 H10K 0.9900 . ?
C105 C106 1.522(16) . ?
C106 H10L 0.9800 . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C107 H10O 0.9900 . ?
C107 H10P 0.9900 . ?
C107 C108 1.47(2) . ?
C108 H10Q 0.9900 . ?
C108 H10R 0.9900 . ?
C108 C109 1.53(2) . ?
C109 H10S 0.9800 . ?
C109 H10T 0.9800 . ?
C109 H10U 0.9800 . ?
C201 H20K 0.9900 . ?
C201 H20L 0.9900 . ?
C201 C202 1.47(2) . ?
C202 H20M 0.9900 . ?
C202 H20N 0.9900 . ?
C202 C203 1.54(2) . ?
C203 H20A 0.9800 . ?
C203 H20B 0.9800 . ?
C203 H20C 0.9800 . ?
C204 H20O 0.9900 . ?
C204 H20P 0.9900 . ?
C204 C205 1.491(18) . ?
C205 H20Q 0.9900 . ?
C205 H20R 0.9900 . ?
C205 C206 1.57(2) . ?
C206 H20S 0.9800 . ?
C206 H20T 0.9800 . ?
C206 H20U 0.9800 . ?
C207 H20D 0.9900 . ?
C207 H20E 0.9900 . ?
C207 C208 1.451(18) . ?
C208 H20F 0.9900 . ?
C208 H20G 0.9900 . ?
C208 C209 1.619(19) . ?
C209 H20H 0.9800 . ?
C209 H20I 0.9800 . ?
C209 H20J 0.9800 . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C301 C302 1.521(17) . ?
C302 H30C 0.9900 . ?
C302 H30D 0.9900 . ?
C302 C303 1.525(17) . ?
C303 H30E 0.9800 . ?
C303 H30F 0.9800 . ?
C303 H30G 0.9800 . ?
C304 H30H 0.9900 . ?
C304 H30I 0.9900 . ?
C304 C305 1.513(19) . ?
C305 H30J 0.9900 . ?
C305 H30K 0.9900 . ?
C305 C306 1.51(2) . ?
C306 H30L 0.9800 . ?
C306 H30M 0.9800 . ?
C306 H30N 0.9800 . ?
C307 H30O 0.9900 . ?
C307 H30P 0.9900 . ?
C307 C308 1.67(5) . ?
C308 H30Q 0.9900 . ?
C308 H30R 0.9900 . ?
C308 C309 1.52(4) . ?
C309 H30S 0.9800 . ?
C309 H30T 0.9800 . ?
C309 H30U 0.9800 . ?
C310 H31A 0.9900 . ?
C310 H31B 0.9900 . ?
C310 C311 1.28(4) . ?
C311 H31C 0.9900 . ?
C311 H31D 0.9900 . ?
C311 C312 1.67(5) . ?
C312 H31E 0.9800 . ?
C312 H31F 0.9800 . ?
C312 H31G 0.9800 . ?
C401 H40A 0.9900 . ?
C401 H40B 0.9900 . ?
C401 C402 1.5317 . ?
C402 H40C 0.9900 . ?
C402 H40D 0.9900 . ?
C402 C403 1.5283 . ?
C403 H40E 0.9800 . ?
C403 H40F 0.9800 . ?
C403 H40G 0.9800 . ?
C404 H40H 0.9900 . ?
C404 H40I 0.9900 . ?
C404 C405 1.46(6) . ?
C405 H40J 0.9900 . ?
C405 H40K 0.9900 . ?
C405 C406 1.52(5) . ?
C406 H40L 0.9800 . ?
C406 H40M 0.9800 . ?
C406 H40N 0.9800 . ?
C407 H40O 0.9900 . ?
C407 H40P 0.9900 . ?
C407 C408 1.69(5) . ?
C408 H40Q 0.9900 . ?
C408 H40R 0.9900 . ?
C408 C409 1.48(5) . ?
C409 H40S 0.9800 . ?
C409 H40T 0.9800 . ?
C409 H40U 0.9800 . ?
C410 H41A 0.9900 . ?
C410 H41B 0.9900 . ?
C410 C411 1.5305 . ?
C411 H41C 0.9900 . ?
C411 H41D 0.9900 . ?
C411 C412 1.5299 . ?
C412 H41E 0.9800 . ?
C412 H41F 0.9800 . ?
C412 H41G 0.9800 . ?
C413 H41H 0.9900 . ?
C413 H41I 0.9900 . ?
C413 C414 1.41(4) . ?
C414 H41J 0.9900 . ?
C414 H41K 0.9900 . ?
C414 C415 1.49(5) . ?
C415 H41L 0.9800 . ?
C415 H41M 0.9800 . ?
C415 H41N 0.9800 . ?
C501 H50A 0.9900 . ?
C501 H50B 0.9900 . ?
C501 C502 1.484(16) . ?
C502 H50C 0.9900 . ?
C502 H50D 0.9900 . ?
C502 C503 1.540(18) . ?
C503 H50E 0.9800 . ?
C503 H50F 0.9800 . ?
C503 H50G 0.9800 . ?
C504 H50H 0.9900 . ?
C504 H50I 0.9900 . ?
C504 C505 1.495(17) . ?
C505 H50J 0.9900 . ?
C505 H50K 0.9900 . ?
C505 C506 1.523(18) . ?
C506 H50L 0.9800 . ?
C506 H50M 0.9800 . ?
C506 H50N 0.9800 . ?
C507 H50O 0.9900 . ?
C507 H50P 0.9900 . ?
C507 C508 1.56(2) . ?
C508 H50Q 0.9900 . ?
C508 H50R 0.9900 . ?
C508 C509 1.491(15) . ?
C509 H50S 0.9800 . ?
C509 H50T 0.9800 . ?
C509 H50U 0.9800 . ?
C601 H60A 0.9900 . ?
C601 H60B 0.9900 . ?
C601 C602 1.493(15) . ?
C602 H60C 0.9900 . ?
C602 H60D 0.9900 . ?
C602 C603 1.487(17) . ?
C603 H60E 0.9800 . ?
C603 H60F 0.9800 . ?
C603 H60G 0.9800 . ?
C604 H60H 0.9900 . ?
C604 H60I 0.9900 . ?
C604 C605 1.469(14) . ?
C605 H60J 0.9900 . ?
C605 H60K 0.9900 . ?
C605 C606 1.502(17) . ?
C606 H60L 0.9800 . ?
C606 H60M 0.9800 . ?
C606 H60N 0.9800 . ?
C607 H60O 0.9900 . ?
C607 H60P 0.9900 . ?
C607 C608 1.482(14) . ?
C608 H60Q 0.9900 . ?
C608 H60R 0.9900 . ?
C608 C609 1.595(15) . ?
C609 H60S 0.9800 . ?
C609 H60T 0.9800 . ?
C609 H60U 0.9800 . ?
C701 H70A 0.9900 . ?
C701 H70B 0.9900 . ?
C701 C702 1.539(17) . ?
C702 H70C 0.9900 . ?
C702 H70D 0.9900 . ?
C702 C703 1.476(18) . ?
C703 H70E 0.9800 . ?
C703 H70F 0.9800 . ?
C703 H70G 0.9800 . ?
C704 H70H 0.9900 . ?
C704 H70I 0.9900 . ?
C704 C705 1.516(15) . ?
C705 H70J 0.9900 . ?
C705 H70K 0.9900 . ?
C705 C706 1.519(17) . ?
C706 H70L 0.9800 . ?
C706 H70M 0.9800 . ?
C706 H70N 0.9800 . ?
C707 H70O 0.9900 . ?
C707 H70P 0.9900 . ?
C707 C708 1.512(17) . ?
C708 H70Q 0.9900 . ?
C708 H70R 0.9900 . ?
C708 C709 1.535(18) . ?
C709 H70S 0.9800 . ?
C709 H70T 0.9800 . ?
C709 H70U 0.9800 . ?
C801 H80A 0.9900 . ?
C801 H80B 0.9900 . ?
C801 C802 1.470(17) . ?
C802 H80C 0.9900 . ?
C802 H80D 0.9900 . ?
C802 C803 1.465(19) . ?
C803 H80E 0.9800 . ?
C803 H80F 0.9800 . ?
C803 H80G 0.9800 . ?
C804 H80H 0.9900 . ?
C804 H80I 0.9900 . ?
C804 C805 1.470(16) . ?
C805 H80J 0.9900 . ?
C805 H80K 0.9900 . ?
C805 C806 1.508(18) . ?
C806 H80L 0.9800 . ?
C806 H80M 0.9800 . ?
C806 H80N 0.9800 . ?
C807 H80O 0.9900 . ?
C807 H80P 0.9900 . ?
C807 C808 1.501(17) . ?
C808 H80Q 0.9900 . ?
C808 H80R 0.9900 . ?
C808 C809 1.498(18) . ?
C809 H80S 0.9800 . ?
C809 H80T 0.9800 . ?
C809 H80U 0.9800 . ?
C901 H90A 0.9900 . ?
C901 H90B 0.9900 . ?
C901 C902 1.53(6) . ?
C902 H90C 0.9900 . ?
C902 H90D 0.9900 . ?
C902 C903 1.45(5) . ?
C903 H90E 0.9800 . ?
C903 H90F 0.9800 . ?
C903 H90G 0.9800 . ?
C904 H90H 0.9900 . ?
C904 H90I 0.9900 . ?
C904 C905 1.43(5) . ?
C905 H90J 0.9900 . ?
C905 H90K 0.9900 . ?
C905 C906 1.54(5) . ?
C906 H90L 0.9800 . ?
C906 H90M 0.9800 . ?
C906 H90N 0.9800 . ?
C907 H90O 0.9900 . ?
C907 H90P 0.9900 . ?
C907 C908 1.48(6) . ?
C908 H90Q 0.9900 . ?
C908 H90R 0.9900 . ?
C908 C909 1.49(7) . ?
C909 H90S 0.9800 . ?
C909 H90T 0.9800 . ?
C909 H90U 0.9800 . ?
C910 H91A 0.9900 . ?
C910 H91B 0.9900 . ?
C910 C911 1.55(5) . ?
C911 H91C 0.9900 . ?
C911 H91D 0.9900 . ?
C911 C912 1.49(5) . ?
C912 H91E 0.9800 . ?
C912 H91F 0.9800 . ?
C912 H91G 0.9800 . ?
C913 H91H 0.9900 . ?
C913 H91I 0.9900 . ?
C913 C914 1.54(4) . ?
C914 H91J 0.9900 . ?
C914 H91K 0.9900 . ?
C914 C915 1.40(4) . ?
C915 H91L 0.9800 . ?
C915 H91M 0.9800 . ?
C915 H91N 0.9800 . ?
C916 H91O 0.9900 . ?
C916 H91P 0.9900 . ?
C916 C917 1.53(4) . ?
C917 H91Q 0.9900 . ?
C917 H91R 0.9900 . ?
C917 C918 1.53(6) . ?
C918 H91S 0.9800 . ?
C918 H91T 0.9800 . ?
C918 H91U 0.9800 . ?
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
Au2 P8 C801 C802 -164.6(12) . . . . ?
Au2 P8 C804 C805 -177.4(10) . . . . ?
Au2 P8 C807 C808 45.2(12) . . . . ?
Au3 P7 C701 C702 64.4(10) . . . . ?
Au3 P7 C704 C705 176.6(9) . . . . ?
Au3 P7 C707 C708 -61.8(9) . . . . ?
Au5 P4 C401 C402 -179.3(16) . . . . ?
Au5 P4 C404 C405 -58(3) . . . . ?
Au5 P4 C413 C414 51(3) . . . . ?
Au6 P2 C201 C202 -54.8(12) . . . . ?
Au6 P2 C204 C205 179.3(10) . . . . ?
Au6 P2 C207 C208 56.9(12) . . . . ?
Au7 P5 C501 C502 -55.9(12) . . . . ?
Au7 P5 C504 C505 -50.1(11) . . . . ?
Au7 P5 C507 C508 177.9(13) . . . . ?
Au8 P6 C601 C602 -179.2(9) . . . . ?
Au8 P6 C604 C605 -58.0(12) . . . . ?
Au8 P6 C607 C608 -62.5(13) . . . . ?
Au11 P3 C301 C302 66.6(11) . . . . ?
Au11 P3 C304 C305 178.2(11) . . . . ?
Au11 P3 C307 C308 67(3) . . . . ?
Au12 P1 C101 C102 45.0(13) . . . . ?
Au12 P1 C104 C105 -176.3(8) . . . . ?
Au12 P1 C107 C108 59.8(12) . . . . ?
Au13 P9 C901 C902 -64(3) . . . . ?
Au13 P9 C904 C905 -45(4) . . . . ?
Au13 P9 C907 C908 -49(4) . . . . ?
Au13 P9 C910 C911 65(2) . . . . ?
Au13 P9 C913 C914 72.8(19) . . . . ?
Au13 P9 C916 C917 54(2) . . . . ?
P1 C101 C102 C103 174.3(11) . . . . ?
P1 C104 C105 C106 -175.7(10) . . . . ?
P1 C107 C108 C109 -177.1(12) . . . . ?
P2 C201 C202 C203 168.0(11) . . . . ?
P2 C204 C205 C206 171.1(12) . . . . ?
P2 C207 C208 C209 174.3(11) . . . . ?
P3 C301 C302 C303 -168.2(10) . . . . ?
P3 C304 C305 C306 -175.4(12) . . . . ?
P3 C307 C308 C309 -171(2) . . . . ?
P3 C310 C311 C312 175(2) . . . . ?
P4 C401 C402 C403 173.5(17) . . . . ?
P4 C404 C405 C406 -176(5) . . . . ?
P4 C407 C408 C409 -178(2) . . . . ?
P4 C410 C411 C412 -156(5) . . . . ?
P4 C413 C414 C415 173(3) . . . . ?
P5 C501 C502 C503 -177.9(11) . . . . ?
P5 C504 C505 C506 170.6(10) . . . . ?
P5 C507 C508 C509 166.4(18) . . . . ?
P6 C601 C602 C603 176.7(11) . . . . ?
P6 C604 C605 C606 -173.5(10) . . . . ?
P6 C607 C608 C609 176.3(11) . . . . ?
P7 C701 C702 C703 -177.3(10) . . . . ?
P7 C704 C705 C706 -176.6(10) . . . . ?
P7 C707 C708 C709 -172.0(9) . . . . ?
P8 C801 C802 C803 177.7(13) . . . . ?
P8 C804 C805 C806 -168.5(11) . . . . ?
P8 C807 C808 C809 177.1(12) . . . . ?
P9 C901 C902 C903 -153(4) . . . . ?
P9 C904 C905 C906 -179(4) . . . . ?
P9 C907 C908 C909 177(4) . . . . ?
P9 C910 C911 C912 174(4) . . . . ?
P9 C913 C914 C915 174(2) . . . . ?
P9 C916 C917 C918 178(2) . . . . ?
C101 P1 C104 C105 61.6(11) . . . . ?
C101 P1 C107 C108 -177.5(11) . . . . ?
C104 P1 C101 C102 169.1(11) . . . . ?
C104 P1 C107 C108 -67.4(11) . . . . ?
C107 P1 C101 C102 -79.4(13) . . . . ?
C107 P1 C104 C105 -49.3(11) . . . . ?
C201 P2 C204 C205 55.5(13) . . . . ?
C201 P2 C207 C208 -177.4(11) . . . . ?
C204 P2 C201 C202 66.9(12) . . . . ?
C204 P2 C207 C208 -69.4(12) . . . . ?
C207 P2 C201 C202 175.7(12) . . . . ?
C207 P2 C204 C205 -49.1(13) . . . . ?
C301 P3 C304 C305 -56.3(14) . . . . ?
C301 P3 C307 C308 -64(3) . . . . ?
C304 P3 C301 C302 -59.4(11) . . . . ?
C304 P3 C307 C308 -175(2) . . . . ?
C307 P3 C301 C302 -162.0(16) . . . . ?
C307 P3 C304 C305 59.9(18) . . . . ?
C310 P3 C301 C302 -179.0(13) . . . . ?
C310 P3 C304 C305 45.7(17) . . . . ?
C401 P4 C404 C405 81(3) . . . . ?
C401 P4 C413 C414 -87(3) . . . . ?
C404 P4 C401 C402 37(2) . . . . ?
C407 P4 C401 C402 -61(2) . . . . ?
C407 P4 C404 C405 177(3) . . . . ?
C410 P4 C401 C402 74(2) . . . . ?
C410 P4 C413 C414 160(3) . . . . ?
C413 P4 C401 C402 -37(2) . . . . ?
C501 P5 C504 C505 77.9(11) . . . . ?
C501 P5 C507 C508 49.8(16) . . . . ?
C504 P5 C501 C502 178.9(10) . . . . ?
C504 P5 C507 C508 -60.0(16) . . . . ?
C507 P5 C501 C502 69.7(12) . . . . ?
C507 P5 C504 C505 -172.4(10) . . . . ?
C601 P6 C604 C605 -177.8(11) . . . . ?
C601 P6 C607 C608 67.2(14) . . . . ?
C604 P6 C601 C602 -58.9(12) . . . . ?
C604 P6 C607 C608 172.8(12) . . . . ?
C607 P6 C601 C602 45.9(13) . . . . ?
C607 P6 C604 C605 72.5(12) . . . . ?
C701 P7 C704 C705 -55.2(12) . . . . ?
C701 P7 C707 C708 173.7(9) . . . . ?
C704 P7 C701 C702 -65.3(10) . . . . ?
C704 P7 C707 C708 65.3(10) . . . . ?
C707 P7 C701 C702 -173.6(9) . . . . ?
C707 P7 C704 C705 53.7(11) . . . . ?
C801 P8 C804 C805 -56.1(12) . . . . ?
C801 P8 C807 C808 -75.1(12) . . . . ?
C804 P8 C801 C802 71.3(14) . . . . ?
C804 P8 C807 C808 171.6(11) . . . . ?
C807 P8 C801 C802 -40.6(14) . . . . ?
C807 P8 C804 C805 55.4(12) . . . . ?
C901 P9 C904 C905 -174(3) . . . . ?
C901 P9 C907 C908 73(4) . . . . ?
C904 P9 C901 C902 69(3) . . . . ?
C904 P9 C907 C908 -178(4) . . . . ?
C907 P9 C901 C902 177(3) . . . . ?
C907 P9 C904 C905 78(4) . . . . ?
C910 P9 C913 C914 -55(2) . . . . ?
C910 P9 C916 C917 -175(2) . . . . ?
C913 P9 C910 C911 -171(2) . . . . ?
C913 P9 C916 C917 -68(2) . . . . ?
C916 P9 C910 C911 -63(2) . . . . ?
C916 P9 C913 C914 -164.5(18) . . . . ?
