#------------------------------------------------------------------------------
#$Date: 2020-07-06 04:44:28 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253775 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/65/7126563.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_7126563
loop_
_publ_author_name
'Yuan, Shang-Fu'
'Li, Jiao-Jiao'
'Guan, Zong-Jie'
'Lei, Zhen'
'Wang, Quan-Ming'
_publ_section_title
;
 Ultrastable hydrido gold nanoclusters with the protection of phosphines.
;
_journal_issue                   51
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7037
_journal_page_last               7040
_journal_paper_doi               10.1039/d0cc02339f
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety
'2(C223 H185 Au20 O2 P12 S), 5(F6 P), 2(O), 10(C O)'
_chemical_formula_sum            'C456 H418 Au40 F36 O16 P30 S2'
_chemical_formula_weight         15709.76
_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     direct
_audit_creation_date             2017-05-15
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2018-09-13 deposited with the CCDC.	2020-05-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.8269(13)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   21.5346(4)
_cell_length_b                   43.3916(6)
_cell_length_c                   27.3200(4)
_cell_measurement_reflns_used    27489
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      65.8520
_cell_measurement_theta_min      3.9810
_cell_volume                     25525.7(7)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4273
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     90.00 154.00   1.00   20.00    --   89.35  45.00 -60.00   64
  2  ω     73.00 154.00   1.00   20.00    --   89.35  30.00-150.00   81
  3  ω     62.00 130.00   1.00   20.00    --   89.35  61.00 -30.00   68
  4  ω     52.00 109.00   1.00   20.00    --   89.35 -45.00-180.00   57
  5  ω     13.00 119.00   1.00   20.00    --   89.35 -77.00  60.00  106
  6  ω    -50.00  30.00   1.00    6.00    --  -40.81  38.00 120.00   80
  7  ω   -106.00  -6.00   1.00    6.00    --  -40.81 -19.00 -60.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0452937000
_diffrn_orient_matrix_UB_12      -0.0179622000
_diffrn_orient_matrix_UB_13      -0.0335763000
_diffrn_orient_matrix_UB_21      0.0266609000
_diffrn_orient_matrix_UB_22      0.0165682000
_diffrn_orient_matrix_UB_23      -0.0449706000
_diffrn_orient_matrix_UB_31      0.0485429000
_diffrn_orient_matrix_UB_32      -0.0257660000
_diffrn_orient_matrix_UB_33      -0.0054354000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0595
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            85836
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        60.998
_diffrn_reflns_theta_max         60.998
_diffrn_reflns_theta_min         3.681
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    22.459
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66287
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown-black
_exptl_crystal_density_diffrn    2.044
_exptl_crystal_description       sheet
_exptl_crystal_F_000             14496
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_platon_squeeze_details
;
;
_refine_diff_density_max         2.462
_refine_diff_density_min         -1.793
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2440
_refine_ls_number_reflns         39014
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0470
_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)+(0.0605P)²+87.3576P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1240
_reflns_Friedel_coverage         0.000
_reflns_number_gt                30978
_reflns_number_total             39014
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc02339f2.cif
_cod_data_source_block           ljj35cb
_cod_depositor_comments
'Adding full bibliography for 7126562--7126563.cif.'
_cod_database_code               7126563
_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.
;
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     61.08
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2. Restrained distances
 O6S-C6S
 1.45 with sigma of 0.02
 C2S-O2G
 1.45 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O2G \\sim O32 \\sim C2S: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
O1 \\sim O2 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim
C17: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: O2G(0.5) O32(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C1A(H1A), C1C(H1C), C1D(H1D), C1E(H1E), C1F(H1F), C1G(H1G), C1I(H1I),
 C1J(H1J), C1K(H1K), C1L(H1L), C1M(H1M), C1N(H1N), C1Q(H1Q), C1R(H1R), C1S(H1S),
  C1T(H1T), C1U(H1U), C1W(H1W), C1X(H1X), C1Y(H1Y), C1Z(H1Z), C2(H2A),
 C2A(H2AA), C2B(H2B), C2C(H2C), C2D(H2D), C2E(H2E), C2F(H2F), C3(H3), C4(H4),
 C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C12(H12), C13(H13), C14(H14),
 C15(H15), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25),
  C26(H26), C29(H29), C112(H112), C113(H113), C114(H114), C115(H115),
 C116(H116), C122(H122), C123(H123), C124(H124), C125(H125), C126(H126),
 C132(H132), C133(H133), C134(H134), C135(H135), C136(H136), C212(H212),
 C213(H213), C214(H214), C215(H215), C216(H216), C222(H222), C223(H223),
 C224(H224), C225(H225), C226(H226), C232(H232), C233(H233), C234(H234),
 C235(H235), C236(H236), C312(H312), C313(H313), C314(H314), C315(H315),
 C316(H316), C322(H322), C323(H323), C324(H324), C325(H325), C326(H326),
 C332(H332), C333(H333), C334(H334), C335(H335), C336(H336), C412(H412),
 C413(H413), C414(H414), C415(H415), C416(H416), C422(H422), C423(H423),
 C424(H424), C425(H425), C426(H426), C432(H432), C433(H433), C434(H434),
 C435(H435), C436(H436), C512(H512), C513(H513), C514(H514), C515(H515),
 C516(H516), C522(H522), C523(H523), C524(H524), C525(H525), C526(H526),
 C532(H532), C533(H533), C534(H534), C535(H535), C536(H536), C612(H612),
 C613(H613), C614(H614), C615(H615), C616(H616), C622(H622), C623(H623),
 C624(H624), C625(H625), C626(H626), C632(H632), C633(H633), C634(H634),
 C635(H635), C636(H636), C712(H712), C713(H713), C714(H714), C715(H715),
 C716(H716), C722(H722), C723(H723), C724(H724), C725(H725), C726(H726),
 C732(H732), C733(H733), C734(H734), C735(H735), C736(H736), C812(H812),
 C813(H813), C814(H814), C815(H815), C816(H816), C822(H822), C823(H823),
 C824(H824), C825(H825), C826(H826), C832(H832), C833(H833), C834(H834),
 C835(H835), C836(H836), C912(H912), C913(H913), C914(H914), C915(H915),
 C916(H916), C922(H922), C923(H923), C924(H924), C925(H925), C926(H926),
 C932(H932), C933(H933), C934(H934), C935(H935), C936(H936)
5.b Tetrahedral OH refined with riding coordinates:
 O2(H2)
;
_olex2_date_sample_data_collection 2017-04-01
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.768
_oxdiff_exptl_absorpt_empirical_full_min 0.716
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 0.18405(2) 0.07810(2) 0.72401(2) 0.03263(12) Uani 1 1 d . . . . .
Au2 Au 0.06713(2) 0.11075(2) 0.75270(2) 0.03089(11) Uani 1 1 d . . . . .
Au3 Au 0.25045(2) 0.13143(2) 0.75830(2) 0.02822(11) Uani 1 1 d . . . . .
Au4 Au 0.25257(2) 0.11286(2) 0.64793(2) 0.03373(12) Uani 1 1 d . . . . .
Au5 Au 0.14142(2) 0.16909(2) 0.77645(2) 0.02734(11) Uani 1 1 d . . . . .
Au6 Au 0.12239(2) 0.09372(2) 0.62639(2) 0.03499(12) Uani 1 1 d . . . . .
Au7 Au 0.03583(2) 0.14050(2) 0.65687(2) 0.03090(11) Uani 1 1 d . . . . .
Au8 Au 0.23901(2) 0.17833(2) 0.68632(2) 0.02940(11) Uani 1 1 d . . . . .
Au9 Au 0.15200(2) 0.13455(2) 0.69543(2) 0.02210(10) Uani 1 1 d . . . . .
Au10 Au 0.10605(2) 0.19271(2) 0.68344(2) 0.02737(11) Uani 1 1 d . . . . .
Au11 Au 0.16246(2) 0.15844(2) 0.60350(2) 0.03078(11) Uani 1 1 d . . . . .
Au12 Au 0.17943(2) 0.22871(2) 0.57186(2) 0.02754(11) Uani 1 1 d . . . . .
Au13 Au 0.26956(2) 0.23223(2) 0.64689(2) 0.02592(10) Uani 1 1 d . . . . .
Au14 Au 0.09605(2) 0.24825(2) 0.64238(2) 0.02634(10) Uani 1 1 d . . . . .
Au15 Au 0.09619(2) 0.31342(2) 0.65241(2) 0.03053(11) Uani 1 1 d . . . . .
Au16 Au 0.10270(2) 0.28292(2) 0.55931(2) 0.02982(11) Uani 1 1 d . . . . .
Au17 Au 0.19806(2) 0.28274(2) 0.62515(2) 0.02454(10) Uani 1 1 d . . . . .
Au18 Au 0.29056(2) 0.26550(2) 0.56531(2) 0.03293(12) Uani 1 1 d . . . . .
Au19 Au 0.31108(2) 0.29450(2) 0.65965(2) 0.02981(11) Uani 1 1 d . . . . .
Au20 Au 0.21526(2) 0.33989(2) 0.65563(2) 0.03533(12) Uani 1 1 d . . . . .
S1 S 0.16393(13) 0.18288(7) 0.52522(9) 0.0308(6) Uani 1 1 d . . . . .
P1 P 0.21534(16) 0.03188(7) 0.75554(12) 0.0391(7) Uani 1 1 d . . . . .
P2 P -0.00181(14) 0.09138(7) 0.80777(11) 0.0316(7) Uani 1 1 d . . . . .
P3 P 0.32887(14) 0.13276(7) 0.81629(11) 0.0325(7) Uani 1 1 d . . . . .
P4 P 0.33289(16) 0.09513(8) 0.60045(13) 0.0432(8) Uani 1 1 d . . . . .
P5 P 0.12084(13) 0.20497(7) 0.83612(10) 0.0285(6) Uani 1 1 d . . . . .
P6 P 0.07842(17) 0.05919(8) 0.57267(12) 0.0422(8) Uani 1 1 d . . . . .
P7 P -0.05929(14) 0.15136(8) 0.62194(11) 0.0344(7) Uani 1 1 d . . . . .
P8 P 0.07383(14) 0.30853(8) 0.48935(11) 0.0344(7) Uani 1 1 d . . . . .
P9 P 0.00620(15) 0.33501(8) 0.68074(12) 0.0389(7) Uani 1 1 d . . . . .
P10 P 0.40527(14) 0.29880(7) 0.69907(12) 0.0346(7) Uani 1 1 d . . . . .
P11 P 0.34702(14) 0.27680(8) 0.49832(11) 0.0359(7) Uani 1 1 d . . . . .
P12 P 0.22728(17) 0.39119(7) 0.67359(13) 0.0425(8) Uani 1 1 d . . . . .
O1 O 0.1353(8) 0.1558(5) 0.4302(5) 0.128(5) Uani 1 1 d . U . . .
O2 O 0.1961(7) 0.1566(5) 0.3733(5) 0.115(5) Uani 1 1 d . U . . .
H2 H 0.1988 0.1383 0.3660 0.172 Uiso 1 1 calc R . . . .
C1 C 0.1800(7) 0.0433(3) 0.8503(5) 0.049(3) Uani 1 1 d . . . . .
H1 H 0.1970 0.0627 0.8451 0.059 Uiso 1 1 calc R . . . .
C1A C 0.1368(7) -0.0039(3) 0.6968(6) 0.054(4) Uani 1 1 d . . . . .
H1A H 0.1053 0.0093 0.7066 0.065 Uiso 1 1 calc R . . . .
C1B C -0.0309(6) 0.0521(3) 0.7974(5) 0.040(3) Uani 1 1 d . . . . .
C1C C 0.0116(8) 0.0290(3) 0.7901(6) 0.062(4) Uani 1 1 d . . . . .
H1C H 0.0538 0.0336 0.7907 0.075 Uiso 1 1 calc R . . . .
C1D C -0.0064(9) 0.0000(4) 0.7820(7) 0.073(5) Uani 1 1 d . . . . .
H1D H 0.0236 -0.0149 0.7761 0.088 Uiso 1 1 calc R . . . .
C1E C -0.0672(10) -0.0084(4) 0.7821(7) 0.076(5) Uani 1 1 d . . . . .
H1E H -0.0790 -0.0288 0.7775 0.091 Uiso 1 1 calc R . . . .
C1F C -0.1113(8) 0.0148(4) 0.7893(7) 0.075(5) Uani 1 1 d . . . . .
H1F H -0.1534 0.0099 0.7890 0.090 Uiso 1 1 calc R . . . .
C1G C -0.0929(8) 0.0447(4) 0.7966(7) 0.067(5) Uani 1 1 d . . . . .
H1G H -0.1225 0.0601 0.8011 0.080 Uiso 1 1 calc R . . . .
C1H C 0.0304(6) 0.0900(3) 0.8704(4) 0.038(3) Uani 1 1 d . . . . .
C1I C 0.0081(6) 0.0698(3) 0.9046(4) 0.039(3) Uani 1 1 d . . . . .
H1I H -0.0220 0.0554 0.8955 0.047 Uiso 1 1 calc R . . . .
C1J C 0.3807(7) 0.0056(4) 0.8193(6) 0.058(4) Uani 1 1 d . . . . .
H1J H 0.3935 -0.0075 0.8443 0.069 Uiso 1 1 calc R . . . .
C1K C 0.0303(7) 0.0705(3) 0.9526(5) 0.050(4) Uani 1 1 d . . . . .
H1K H 0.0165 0.0563 0.9754 0.060 Uiso 1 1 calc R . . . .
C1L C 0.0732(7) 0.0929(3) 0.9660(5) 0.049(4) Uani 1 1 d . . . . .
H1L H 0.0866 0.0945 0.9984 0.059 Uiso 1 1 calc R . . . .
C1M C 0.0959(6) 0.1127(3) 0.9311(5) 0.047(3) Uani 1 1 d . . . . .
H1M H 0.1258 0.1272 0.9400 0.057 Uiso 1 1 calc R . . . .
C1N C 0.0752(6) 0.1114(3) 0.8838(5) 0.037(3) Uani 1 1 d . . . . .
H1N H 0.0912 0.1248 0.8606 0.045 Uiso 1 1 calc R . . . .
C1O C 0.1802(6) 0.0214(3) 0.8123(5) 0.041(3) Uani 1 1 d . . . . .
C1P C -0.0734(6) 0.1134(3) 0.8129(5) 0.039(3) Uani 1 1 d . . . . .
C1Q C -0.0940(6) 0.1302(3) 0.7741(5) 0.040(3) Uani 1 1 d . . . . .
H1Q H -0.0688 0.1324 0.7469 0.048 Uiso 1 1 calc R . . . .
C1R C -0.1526(6) 0.1441(3) 0.7744(5) 0.048(3) Uani 1 1 d . . . . .
H1R H -0.1673 0.1545 0.7468 0.057 Uiso 1 1 calc R . . . .
C1S C -0.1881(6) 0.1426(3) 0.8151(5) 0.048(3) Uani 1 1 d . . . . .
H1S H -0.2267 0.1522 0.8159 0.057 Uiso 1 1 calc R . . . .
C1T C -0.1656(6) 0.1264(3) 0.8558(5) 0.050(4) Uani 1 1 d . . . . .
H1T H -0.1890 0.1254 0.8841 0.060 Uiso 1 1 calc R . . . .
C1U C -0.1094(7) 0.1118(3) 0.8544(5) 0.044(3) Uani 1 1 d . . . . .
H1U H -0.0952 0.1008 0.8816 0.053 Uiso 1 1 calc R . . . .
C1V C 0.3328(5) 0.1705(3) 0.8447(4) 0.032(3) Uani 1 1 d . . . . .
C1W C 0.3148(5) 0.1960(3) 0.8168(4) 0.031(3) Uani 1 1 d . . . . .
H1W H 0.2997 0.1930 0.7851 0.038 Uiso 1 1 calc R . . . .
C1X C 0.3191(6) 0.2256(3) 0.8356(5) 0.044(3) Uani 1 1 d . . . . .
H1X H 0.3070 0.2424 0.8165 0.053 Uiso 1 1 calc R . . . .
C1Y C 0.3417(6) 0.2302(3) 0.8833(5) 0.043(3) Uani 1 1 d . . . . .
H1Y H 0.3457 0.2501 0.8959 0.051 Uiso 1 1 calc R . . . .
C1Z C 0.3579(7) 0.2053(3) 0.9110(5) 0.051(4) Uani 1 1 d . . . . .
H1Z H 0.3717 0.2083 0.9431 0.061 Uiso 1 1 calc R . . . .
C2 C 0.1267(7) 0.0083(4) 0.9028(6) 0.056(4) Uani 1 1 d . . . . .
H2A H 0.1091 0.0038 0.9329 0.067 Uiso 1 1 calc R . . . .
C2A C 0.3539(8) 0.0608(4) 0.9130(5) 0.055(4) Uani 1 1 d . . . . .
H2AA H 0.3812 0.0444 0.9172 0.066 Uiso 1 1 calc R . . . .
C2B C 0.1551(7) 0.0362(4) 0.8950(6) 0.059(4) Uani 1 1 d . . . . .
H2B H 0.1573 0.0506 0.9202 0.071 Uiso 1 1 calc R . . . .
C2C C 0.3194(6) 0.0083(3) 0.8076(5) 0.046(3) Uani 1 1 d . . . . .
H2C H 0.2909 -0.0039 0.8240 0.055 Uiso 1 1 calc R . . . .
C2D C 0.3068(8) 0.0658(4) 0.9450(5) 0.060(4) Uani 1 1 d . . . . .
H2D H 0.3021 0.0524 0.9712 0.072 Uiso 1 1 calc R . . . .
C2E C 0.2643(7) 0.0911(4) 0.9394(5) 0.053(4) Uani 1 1 d . . . . .
H2E H 0.2324 0.0945 0.9614 0.063 Uiso 1 1 calc R . . . .
C2F C 0.2736(7) 0.1103(3) 0.8991(5) 0.047(3) Uani 1 1 d . . . . .
H2F H 0.2461 0.1265 0.8935 0.057 Uiso 1 1 calc R . . . .
C3 C 0.1251(7) -0.0128(3) 0.8654(6) 0.053(4) Uani 1 1 d . . . . .
H3 H 0.1065 -0.0319 0.8708 0.064 Uiso 1 1 calc R . . . .
C4 C 0.1497(7) -0.0071(3) 0.8205(5) 0.048(3) Uani 1 1 d . . . . .
H4 H 0.1464 -0.0216 0.7956 0.057 Uiso 1 1 calc R . . . .
C5 C 0.4236(6) 0.0225(3) 0.7941(6) 0.052(4) Uani 1 1 d . . . . .
H5 H 0.4658 0.0201 0.8009 0.062 Uiso 1 1 calc R . . . .
C6 C 0.4039(8) 0.0429(4) 0.7587(6) 0.066(4) Uani 1 1 d . . . . .
H6 H 0.4329 0.0546 0.7420 0.079 Uiso 1 1 calc R . . . .
C7 C 0.3409(7) 0.0463(3) 0.7476(6) 0.053(4) Uani 1 1 d . . . . .
H7 H 0.3279 0.0604 0.7239 0.063 Uiso 1 1 calc R . . . .
C8 C 0.1978(6) 0.0007(3) 0.7137(5) 0.040(3) Uani 1 1 d . . . . .
C9 C 0.2437(8) -0.0205(3) 0.6996(5) 0.052(4) Uani 1 1 d . . . . .
H9 H 0.2844 -0.0186 0.7112 0.062 Uiso 1 1 calc R . . . .
C10 C 0.2264(10) -0.0447(3) 0.6674(6) 0.064(5) Uani 1 1 d . . . . .
H10 H 0.2565 -0.0586 0.6572 0.077 Uiso 1 1 calc R . . . .
C11 C 0.2379(6) 0.1752(3) 0.4979(4) 0.036(2) Uani 1 1 d . U . . .
C12 C 0.2922(6) 0.1798(3) 0.5238(5) 0.041(3) Uani 1 1 d . U . . .
H12 H 0.2901 0.1874 0.5556 0.049 Uiso 1 1 calc R . . . .
C13 C 0.3509(7) 0.1734(3) 0.5045(5) 0.049(3) Uani 1 1 d . U . . .
H13 H 0.3871 0.1769 0.5226 0.059 Uiso 1 1 calc R . . . .
C14 C 0.3527(7) 0.1618(4) 0.4573(5) 0.054(3) Uani 1 1 d . U . . .
H14 H 0.3907 0.1567 0.4438 0.065 Uiso 1 1 calc R . . . .
C15 C 0.3000(7) 0.1576(4) 0.4308(5) 0.056(3) Uani 1 1 d . U . . .
H15 H 0.3030 0.1506 0.3988 0.067 Uiso 1 1 calc R . . . .
C16 C 0.2409(7) 0.1635(4) 0.4498(5) 0.048(3) Uani 1 1 d . U . . .
C17 C 0.1852(8) 0.1590(5) 0.4174(5) 0.065(3) Uani 1 1 d . U . . .
C18 C 0.1684(13) -0.0480(4) 0.6513(7) 0.094(8) Uani 1 1 d . . . . .
H18 H 0.1584 -0.0642 0.6302 0.112 Uiso 1 1 calc R . . . .
C19 C 0.1236(10) -0.0280(5) 0.6655(7) 0.086(6) Uani 1 1 d . . . . .
H19 H 0.0831 -0.0306 0.6539 0.103 Uiso 1 1 calc R . . . .
C20 C 0.3545(5) 0.1755(3) 0.8927(5) 0.040(3) Uani 1 1 d . . . . .
H20 H 0.3665 0.1589 0.9121 0.048 Uiso 1 1 calc R . . . .
C21 C 0.4067(5) 0.1276(3) 0.7925(5) 0.034(3) Uani 1 1 d . . . . .
C22 C 0.4148(6) 0.1236(3) 0.7428(5) 0.045(3) Uani 1 1 d . . . . .
H22 H 0.3807 0.1233 0.7215 0.054 Uiso 1 1 calc R . . . .
C23 C 0.4746(8) 0.1199(4) 0.7248(6) 0.064(4) Uani 1 1 d . . . . .
H23 H 0.4802 0.1163 0.6916 0.076 Uiso 1 1 calc R . . . .
C24 C 0.5259(7) 0.1216(4) 0.7563(7) 0.058(4) Uani 1 1 d . . . . .
H24 H 0.5656 0.1194 0.7439 0.070 Uiso 1 1 calc R . . . .
C25 C 0.5183(7) 0.1265(4) 0.8047(7) 0.069(5) Uani 1 1 d . . . . .
H25 H 0.5527 0.1278 0.8255 0.083 Uiso 1 1 calc R . . . .
C26 C 0.4584(7) 0.1295(4) 0.8234(6) 0.059(4) Uani 1 1 d . . . . .
H26 H 0.4531 0.1327 0.8567 0.070 Uiso 1 1 calc R . . . .
C27 C 0.2981(6) 0.0287(3) 0.7719(5) 0.036(3) Uani 1 1 d . . . . .
C28 C 0.3224(6) 0.1061(3) 0.8669(5) 0.039(3) Uani 1 1 d . . . . .
C29 C 0.3596(7) 0.0811(3) 0.8741(5) 0.048(3) Uani 1 1 d . . . . .
H29 H 0.3907 0.0773 0.8517 0.058 Uiso 1 1 calc R . . . .
C111 C 0.4449(5) 0.2627(3) 0.7067(4) 0.035(3) Uani 1 1 d . . . . .
C112 C 0.4127(6) 0.2373(3) 0.7249(5) 0.049(3) Uani 1 1 d . . . . .
H112 H 0.3705 0.2394 0.7308 0.058 Uiso 1 1 calc R . . . .
C113 C 0.4404(7) 0.2096(3) 0.7344(5) 0.047(3) Uani 1 1 d . . . . .
H113 H 0.4184 0.1938 0.7492 0.057 Uiso 1 1 calc R . . . .
C114 C 0.5024(7) 0.2056(4) 0.7217(6) 0.061(4) Uani 1 1 d . . . . .
H114 H 0.5213 0.1865 0.7261 0.073 Uiso 1 1 calc R . . . .
C115 C 0.5351(7) 0.2292(4) 0.7030(7) 0.070(5) Uani 1 1 d . . . . .
H115 H 0.5769 0.2265 0.6959 0.084 Uiso 1 1 calc R . . . .
C116 C 0.5067(6) 0.2571(4) 0.6946(6) 0.056(4) Uani 1 1 d . . . . .
H116 H 0.5295 0.2728 0.6803 0.067 Uiso 1 1 calc R . . . .
C121 C 0.3968(5) 0.3138(3) 0.7607(4) 0.035(3) Uani 1 1 d . . . . .
C122 C 0.4185(8) 0.2978(4) 0.8025(5) 0.061(4) Uani 1 1 d . . . . .
H122 H 0.4392 0.2791 0.7994 0.073 Uiso 1 1 calc R . . . .
C123 C 0.4082(9) 0.3105(4) 0.8483(6) 0.073(5) Uani 1 1 d . . . . .
H123 H 0.4222 0.3001 0.8761 0.087 Uiso 1 1 calc R . . . .
C124 C 0.3783(8) 0.3377(4) 0.8536(6) 0.067(5) Uani 1 1 d . . . . .
H124 H 0.3717 0.3456 0.8848 0.080 Uiso 1 1 calc R . . . .
C125 C 0.3579(8) 0.3534(4) 0.8138(5) 0.058(4) Uani 1 1 d . . . . .
H125 H 0.3370 0.3720 0.8175 0.069 Uiso 1 1 calc R . . . .
C126 C 0.3684(7) 0.3415(3) 0.7666(6) 0.049(4) Uani 1 1 d . . . . .
H126 H 0.3557 0.3528 0.7393 0.059 Uiso 1 1 calc R . . . .
C131 C 0.4606(5) 0.3226(3) 0.6690(4) 0.034(3) Uani 1 1 d . . . . .
C132 C 0.4583(6) 0.3254(3) 0.6181(5) 0.047(3) Uani 1 1 d . . . . .
H132 H 0.4254 0.3166 0.6008 0.056 Uiso 1 1 calc R . . . .
C133 C 0.5030(7) 0.3407(4) 0.5930(6) 0.057(4) Uani 1 1 d . . . . .
H133 H 0.5004 0.3418 0.5590 0.069 Uiso 1 1 calc R . . . .
C134 C 0.5526(6) 0.3548(4) 0.6178(7) 0.064(5) Uani 1 1 d . . . . .
H134 H 0.5834 0.3651 0.6008 0.077 Uiso 1 1 calc R . . . .
C135 C 0.5543(7) 0.3528(4) 0.6687(6) 0.060(4) Uani 1 1 d . . . . .
H135 H 0.5864 0.3625 0.6858 0.072 Uiso 1 1 calc R . . . .
C136 C 0.5097(6) 0.3369(3) 0.6944(5) 0.046(3) Uani 1 1 d . . . . .
H136 H 0.5123 0.3357 0.7283 0.055 Uiso 1 1 calc R . . . .
C211 C 0.3706(6) 0.3166(3) 0.4954(4) 0.039(3) Uani 1 1 d . . . . .
C212 C 0.3353(7) 0.3389(3) 0.5186(5) 0.051(4) Uani 1 1 d . . . . .
H212 H 0.2999 0.3331 0.5355 0.061 Uiso 1 1 calc R . . . .
C213 C 0.3524(7) 0.3699(3) 0.5169(5) 0.053(4) Uani 1 1 d . . . . .
H213 H 0.3293 0.3846 0.5333 0.064 Uiso 1 1 calc R . . . .
C214 C 0.4038(8) 0.3785(3) 0.4906(6) 0.058(4) Uani 1 1 d . . . . .
H214 H 0.4152 0.3991 0.4888 0.069 Uiso 1 1 calc R . . . .
C215 C 0.4388(7) 0.3558(4) 0.4667(6) 0.057(4) Uani 1 1 d . . . . .
H215 H 0.4734 0.3616 0.4489 0.069 Uiso 1 1 calc R . . . .
C216 C 0.4224(6) 0.3254(3) 0.4694(5) 0.046(3) Uani 1 1 d . . . . .
H216 H 0.4461 0.3105 0.4537 0.055 Uiso 1 1 calc R . . . .
C221 C 0.3068(6) 0.2697(3) 0.4405(5) 0.040(3) Uani 1 1 d . . . . .
C222 C 0.2814(6) 0.2937(4) 0.4141(5) 0.046(3) Uani 1 1 d . . . . .
H222 H 0.2869 0.3138 0.4250 0.055 Uiso 1 1 calc R . . . .
C223 C 0.2475(7) 0.2881(4) 0.3709(5) 0.056(4) Uani 1 1 d . . . . .
H223 H 0.2307 0.3044 0.3531 0.067 Uiso 1 1 calc R . . . .
C224 C 0.2391(7) 0.2578(4) 0.3550(5) 0.055(4) Uani 1 1 d . . . . .
H224 H 0.2162 0.2538 0.3266 0.066 Uiso 1 1 calc R . . . .
C225 C 0.2641(8) 0.2341(4) 0.3808(6) 0.067(5) Uani 1 1 d . . . . .
H225 H 0.2598 0.2141 0.3691 0.080 Uiso 1 1 calc R . . . .
C226 C 0.2967(7) 0.2394(4) 0.4252(5) 0.052(4) Uani 1 1 d . . . . .
H226 H 0.3112 0.2230 0.4439 0.063 Uiso 1 1 calc R . . . .
C231 C 0.4209(6) 0.2553(3) 0.4982(5) 0.042(3) Uani 1 1 d . . . . .
C232 C 0.4514(7) 0.2528(3) 0.5420(5) 0.052(4) Uani 1 1 d . . . . .
H232 H 0.4330 0.2600 0.5703 0.063 Uiso 1 1 calc R . . . .
C233 C 0.5108(7) 0.2391(4) 0.5446(7) 0.061(4) Uani 1 1 d . . . . .
H233 H 0.5327 0.2377 0.5741 0.073 Uiso 1 1 calc R . . . .
C234 C 0.5352(8) 0.2280(4) 0.5017(7) 0.066(5) Uani 1 1 d . . . . .
H234 H 0.5743 0.2189 0.5027 0.080 Uiso 1 1 calc R . . . .
C235 C 0.5047(7) 0.2298(4) 0.4586(6) 0.055(4) Uani 1 1 d . . . . .
H235 H 0.5219 0.2217 0.4303 0.066 Uiso 1 1 calc R . . . .
C236 C 0.4465(7) 0.2440(4) 0.4571(5) 0.054(4) Uani 1 1 d . . . . .
H236 H 0.4251 0.2458 0.4274 0.065 Uiso 1 1 calc R . . . .
C311 C 0.3083(7) 0.4005(3) 0.6850(5) 0.045(3) Uani 1 1 d . . . . .
C312 C 0.3503(7) 0.3916(3) 0.6490(6) 0.057(4) Uani 1 1 d . . . . .
H312 H 0.3360 0.3813 0.6212 0.068 Uiso 1 1 calc R . . . .
C313 C 0.4127(8) 0.3980(3) 0.6547(7) 0.063(4) Uani 1 1 d . . . . .
H313 H 0.4400 0.3926 0.6301 0.076 Uiso 1 1 calc R . . . .
C314 C 0.4352(8) 0.4124(4) 0.6966(8) 0.073(5) Uani 1 1 d . . . . .
H314 H 0.4773 0.4166 0.7006 0.088 Uiso 1 1 calc R . . . .
C315 C 0.3925(8) 0.4203(3) 0.7330(7) 0.064(5) Uani 1 1 d . . . . .
H315 H 0.4069 0.4288 0.7623 0.077 Uiso 1 1 calc R . . . .
C316 C 0.3300(7) 0.4158(3) 0.7259(6) 0.052(4) Uani 1 1 d . . . . .
H316 H 0.3021 0.4230 0.7489 0.062 Uiso 1 1 calc R . . . .
C321 C 0.1848(7) 0.4025(3) 0.7278(5) 0.046(3) Uani 1 1 d . . . . .
C322 C 0.1849(8) 0.3816(4) 0.7681(6) 0.060(4) Uani 1 1 d . . . . .
H322 H 0.2068 0.3631 0.7669 0.072 Uiso 1 1 calc R . . . .
C323 C 0.1520(10) 0.3895(4) 0.8086(7) 0.080(6) Uani 1 1 d . . . . .
H323 H 0.1515 0.3759 0.8349 0.096 Uiso 1 1 calc R . . . .
C324 C 0.1200(9) 0.4164(5) 0.8121(6) 0.076(6) Uani 1 1 d . . . . .
H324 H 0.0975 0.4208 0.8400 0.091 Uiso 1 1 calc R . . . .
C325 C 0.1214(8) 0.4373(4) 0.7730(6) 0.064(4) Uani 1 1 d . . . . .
H325 H 0.1011 0.4561 0.7751 0.077 Uiso 1 1 calc R . . . .
C326 C 0.1537(7) 0.4295(4) 0.7312(5) 0.055(4) Uani 1 1 d . . . . .
H326 H 0.1539 0.4431 0.7049 0.066 Uiso 1 1 calc R . . . .
C331 C 0.2027(6) 0.4180(3) 0.6264(5) 0.041(3) Uani 1 1 d . . . . .
C332 C 0.1420(8) 0.4147(4) 0.6067(5) 0.062(4) Uani 1 1 d . . . . .
H332 H 0.1162 0.3991 0.6179 0.075 Uiso 1 1 calc R . . . .
C333 C 0.1211(8) 0.4348(5) 0.5706(7) 0.076(5) Uani 1 1 d . . . . .
H333 H 0.0820 0.4320 0.5564 0.092 Uiso 1 1 calc R . . . .
C334 C 0.1581(10) 0.4590(4) 0.5556(6) 0.073(5) Uani 1 1 d . . . . .
H334 H 0.1429 0.4733 0.5331 0.088 Uiso 1 1 calc R . . . .
C335 C 0.2153(10) 0.4616(4) 0.5735(6) 0.073(5) Uani 1 1 d . . . . .
H335 H 0.2410 0.4770 0.5616 0.087 Uiso 1 1 calc R . . . .
C336 C 0.2376(8) 0.4421(4) 0.6092(5) 0.061(4) Uani 1 1 d . . . . .
H336 H 0.2773 0.4453 0.6220 0.073 Uiso 1 1 calc R . . . .
C411 C 0.3943(6) 0.1230(3) 0.5933(5) 0.045(3) Uani 1 1 d . . . . .
C412 C 0.3943(7) 0.1503(3) 0.6198(5) 0.046(3) Uani 1 1 d . . . . .
H412 H 0.3616 0.1542 0.6408 0.055 Uiso 1 1 calc R . . . .
C413 C 0.4404(9) 0.1717(5) 0.6162(6) 0.071(5) Uani 1 1 d . . . . .
H413 H 0.4375 0.1903 0.6327 0.086 Uiso 1 1 calc R . . . .
C414 C 0.4913(10) 0.1655(6) 0.5880(8) 0.086(6) Uani 1 1 d . . . . .
H414 H 0.5241 0.1794 0.5871 0.104 Uiso 1 1 calc R . . . .
C415 C 0.4939(8) 0.1382(6) 0.5605(9) 0.093(7) Uani 1 1 d . . . . .
H415 H 0.5278 0.1343 0.5407 0.111 Uiso 1 1 calc R . . . .
C416 C 0.4460(7) 0.1170(5) 0.5628(7) 0.075(5) Uani 1 1 d . . . . .
H416 H 0.4475 0.0990 0.5445 0.091 Uiso 1 1 calc R . . . .
C421 C 0.3717(7) 0.0599(3) 0.6184(6) 0.058(4) Uani 1 1 d . . . . .
C422 C 0.4352(10) 0.0587(5) 0.6317(7) 0.088(6) Uani 1 1 d . . . . .
H422 H 0.4580 0.0768 0.6342 0.106 Uiso 1 1 calc R . . . .
C423 C 0.4652(11) 0.0295(6) 0.6414(9) 0.105(9) Uani 1 1 d . . . . .
H423 H 0.5073 0.0285 0.6495 0.126 Uiso 1 1 calc R . . . .
C424 C 0.4297(15) 0.0034(5) 0.6383(9) 0.115(10) Uani 1 1 d . . . . .
H424 H 0.4485 -0.0157 0.6426 0.138 Uiso 1 1 calc R . . . .
C425 C 0.3698(13) 0.0047(5) 0.6295(9) 0.099(7) Uani 1 1 d . . . . .
H425 H 0.3464 -0.0133 0.6292 0.119 Uiso 1 1 calc R . . . .
C426 C 0.3404(10) 0.0333(4) 0.6205(7) 0.080(6) Uani 1 1 d . . . . .
H426 H 0.2975 0.0337 0.6159 0.095 Uiso 1 1 calc R . . . .
C431 C 0.3072(8) 0.0845(4) 0.5379(6) 0.058(4) Uani 1 1 d . . . . .
C432 C 0.3433(10) 0.0656(5) 0.5086(7) 0.085(6) Uani 1 1 d . . . . .
H432 H 0.3810 0.0574 0.5195 0.102 Uiso 1 1 calc R . . . .
C433 C 0.3194(15) 0.0600(6) 0.4626(9) 0.119(10) Uani 1 1 d . . . . .
H433 H 0.3426 0.0477 0.4417 0.143 Uiso 1 1 calc R . . . .
C434 C 0.2643(16) 0.0710(7) 0.4456(8) 0.119(9) Uani 1 1 d . . . . .
H434 H 0.2512 0.0670 0.4137 0.142 Uiso 1 1 calc R . . . .
C435 C 0.2282(11) 0.0881(5) 0.4764(6) 0.084(6) Uani 1 1 d . . . . .
H435 H 0.1887 0.0944 0.4665 0.101 Uiso 1 1 calc R . . . .
C436 C 0.2514(9) 0.0960(4) 0.5227(5) 0.063(5) Uani 1 1 d . . . . .
H436 H 0.2289 0.1090 0.5429 0.076 Uiso 1 1 calc R . . . .
C511 C 0.1357(6) 0.1958(3) 0.9001(4) 0.032(3) Uani 1 1 d . . . . .
C512 C 0.1935(6) 0.1849(3) 0.9139(4) 0.039(3) Uani 1 1 d . . . . .
H512 H 0.2238 0.1827 0.8902 0.047 Uiso 1 1 calc R . . . .
C513 C 0.2080(7) 0.1770(3) 0.9619(5) 0.048(3) Uani 1 1 d . . . . .
H513 H 0.2468 0.1690 0.9700 0.057 Uiso 1 1 calc R . . . .
C514 C 0.1644(7) 0.1812(3) 0.9976(5) 0.051(4) Uani 1 1 d . . . . .
H514 H 0.1741 0.1768 1.0301 0.062 Uiso 1 1 calc R . . . .
C515 C 0.1072(8) 0.1919(4) 0.9851(5) 0.055(4) Uani 1 1 d . . . . .
H515 H 0.0772 0.1942 1.0090 0.066 Uiso 1 1 calc R . . . .
C516 C 0.0927(7) 0.1996(3) 0.9358(5) 0.049(3) Uani 1 1 d . . . . .
H516 H 0.0536 0.2074 0.9278 0.058 Uiso 1 1 calc R . . . .
C521 C 0.0393(6) 0.2152(3) 0.8336(4) 0.037(3) Uani 1 1 d . . . . .
C522 C -0.0049(6) 0.1921(3) 0.8419(5) 0.039(3) Uani 1 1 d . . . . .
H522 H 0.0081 0.1719 0.8466 0.047 Uiso 1 1 calc R . . . .
C523 C -0.0668(6) 0.1990(3) 0.8431(5) 0.045(3) Uani 1 1 d . . . . .
H523 H -0.0955 0.1836 0.8494 0.054 Uiso 1 1 calc R . . . .
C524 C -0.0866(5) 0.2285(4) 0.8352(5) 0.048(4) Uani 1 1 d . . . . .
H524 H -0.1287 0.2332 0.8360 0.058 Uiso 1 1 calc R . . . .
C525 C -0.0434(7) 0.2513(4) 0.8259(5) 0.050(4) Uani 1 1 d . . . . .
H525 H -0.0568 0.2713 0.8201 0.060 Uiso 1 1 calc R . . . .
C526 C 0.0189(5) 0.2446(3) 0.8252(5) 0.040(3) Uani 1 1 d . . . . .
H526 H 0.0474 0.2602 0.8190 0.048 Uiso 1 1 calc R . . . .
C531 C 0.1614(5) 0.2410(3) 0.8282(4) 0.031(3) Uani 1 1 d . . . . .
C532 C 0.1779(6) 0.2602(3) 0.8662(5) 0.042(3) Uani 1 1 d . . . . .
H532 H 0.1681 0.2545 0.8980 0.051 Uiso 1 1 calc R . . . .
C533 C 0.2085(6) 0.2876(3) 0.8587(5) 0.047(3) Uani 1 1 d . . . . .
H533 H 0.2196 0.3000 0.8852 0.057 Uiso 1 1 calc R . . . .
C534 C 0.2226(6) 0.2967(3) 0.8127(6) 0.050(4) Uani 1 1 d . . . . .
H534 H 0.2430 0.3153 0.8074 0.060 Uiso 1 1 calc R . . . .
C535 C 0.2059(6) 0.2777(3) 0.7734(5) 0.038(3) Uani 1 1 d . . . . .
H535 H 0.2143 0.2841 0.7417 0.046 Uiso 1 1 calc R . . . .
C536 C 0.1777(5) 0.2499(3) 0.7804(4) 0.035(3) Uani 1 1 d . . . . .
H536 H 0.1692 0.2370 0.7540 0.042 Uiso 1 1 calc R . . . .
C611 C 0.0337(7) 0.0773(3) 0.5233(5) 0.046(3) Uani 1 1 d . . . . .
C612 C 0.0479(7) 0.1061(4) 0.5081(5) 0.054(4) Uani 1 1 d . . . . .
H612 H 0.0804 0.1165 0.5236 0.065 Uiso 1 1 calc R . . . .
C613 C 0.0159(10) 0.1206(4) 0.4704(6) 0.076(6) Uani 1 1 d . . . . .
H613 H 0.0260 0.1406 0.4610 0.092 Uiso 1 1 calc R . . . .
C614 C -0.0314(10) 0.1046(6) 0.4471(6) 0.089(7) Uani 1 1 d . . . . .
H614 H -0.0526 0.1139 0.4211 0.107 Uiso 1 1 calc R . . . .
C615 C -0.0481(9) 0.0751(4) 0.4614(7) 0.076(5) Uani 1 1 d . . . . .
H615 H -0.0803 0.0646 0.4457 0.091 Uiso 1 1 calc R . . . .
C616 C -0.0145(7) 0.0618(4) 0.5006(5) 0.060(5) Uani 1 1 d . . . . .
H616 H -0.0250 0.0421 0.5114 0.072 Uiso 1 1 calc R . . . .
C621 C 0.0231(6) 0.0346(3) 0.6035(5) 0.043(3) Uani 1 1 d . . . . .
C622 C -0.0113(8) 0.0476(4) 0.6407(6) 0.066(5) Uani 1 1 d . . . . .
H622 H -0.0049 0.0680 0.6500 0.079 Uiso 1 1 calc R . . . .
C623 C -0.0546(9) 0.0301(5) 0.6634(6) 0.083(6) Uani 1 1 d . . . . .
H623 H -0.0762 0.0389 0.6891 0.099 Uiso 1 1 calc R . . . .
C624 C -0.0680(9) 0.0007(5) 0.6508(6) 0.076(6) Uani 1 1 d . . . . .
H624 H -0.0991 -0.0101 0.6667 0.092 Uiso 1 1 calc R . . . .
C625 C -0.0340(8) -0.0131(4) 0.6132(7) 0.070(5) Uani 1 1 d . . . . .
H625 H -0.0404 -0.0337 0.6046 0.084 Uiso 1 1 calc R . . . .
C626 C 0.0094(7) 0.0047(3) 0.5893(5) 0.055(4) Uani 1 1 d . . . . .
H626 H 0.0300 -0.0037 0.5628 0.066 Uiso 1 1 calc R . . . .
C631 C 0.1302(6) 0.0327(3) 0.5419(5) 0.040(3) Uani 1 1 d . . . . .
C632 C 0.1764(8) 0.0192(5) 0.5689(6) 0.076(6) Uani 1 1 d . . . . .
H632 H 0.1824 0.0248 0.6015 0.091 Uiso 1 1 calc R . . . .
C633 C 0.2154(10) -0.0031(5) 0.5475(7) 0.090(7) Uani 1 1 d . . . . .
H633 H 0.2446 -0.0134 0.5669 0.108 Uiso 1 1 calc R . . . .
C634 C 0.2109(7) -0.0097(4) 0.5003(6) 0.059(4) Uani 1 1 d . . . . .
H634 H 0.2380 -0.0236 0.4859 0.071 Uiso 1 1 calc R . . . .
C635 C 0.1654(11) 0.0043(5) 0.4732(6) 0.094(7) Uani 1 1 d . . . . .
H635 H 0.1620 0.0002 0.4398 0.113 Uiso 1 1 calc R . . . .
C636 C 0.1242(9) 0.0246(4) 0.4941(6) 0.074(6) Uani 1 1 d . . . . .
H636 H 0.0919 0.0328 0.4753 0.089 Uiso 1 1 calc R . . . .
C711 C -0.1109(5) 0.1190(3) 0.6098(5) 0.041(3) Uani 1 1 d . . . . .
C712 C -0.1453(8) 0.1071(4) 0.6498(6) 0.064(4) Uani 1 1 d . . . . .
H712 H -0.1420 0.1162 0.6806 0.077 Uiso 1 1 calc R . . . .
C713 C -0.1830(10) 0.0824(5) 0.6423(8) 0.092(7) Uani 1 1 d . . . . .
H713 H -0.2059 0.0748 0.6683 0.110 Uiso 1 1 calc R . . . .
C714 C -0.1882(9) 0.0683(4) 0.5979(7) 0.074(5) Uani 1 1 d . . . . .
H714 H -0.2148 0.0516 0.5934 0.089 Uiso 1 1 calc R . . . .
C715 C -0.1546(11) 0.0788(5) 0.5608(7) 0.097(8) Uani 1 1 d . . . . .
H715 H -0.1580 0.0693 0.5304 0.117 Uiso 1 1 calc R . . . .
C716 C -0.1149(9) 0.1037(4) 0.5666(6) 0.070(5) Uani 1 1 d . . . . .
H716 H -0.0907 0.1100 0.5405 0.084 Uiso 1 1 calc R . . . .
C721 C -0.1071(6) 0.1780(3) 0.6573(5) 0.038(3) Uani 1 1 d . . . . .
C722 C -0.1694(6) 0.1818(4) 0.6471(5) 0.055(4) Uani 1 1 d . . . . .
H722 H -0.1884 0.1699 0.6228 0.066 Uiso 1 1 calc R . . . .
C723 C -0.2042(7) 0.2035(4) 0.6726(6) 0.062(4) Uani 1 1 d . . . . .
H723 H -0.2469 0.2048 0.6675 0.074 Uiso 1 1 calc R . . . .
C724 C -0.1744(8) 0.2229(4) 0.7057(6) 0.065(5) Uani 1 1 d . . . . .
H724 H -0.1966 0.2383 0.7214 0.078 Uiso 1 1 calc R . . . .
C725 C -0.1119(7) 0.2194(3) 0.7150(5) 0.050(4) Uani 1 1 d . . . . .
H725 H -0.0923 0.2323 0.7377 0.060 Uiso 1 1 calc R . . . .
C726 C -0.0784(7) 0.1978(4) 0.6923(5) 0.053(4) Uani 1 1 d . . . . .
H726 H -0.0363 0.1958 0.6994 0.064 Uiso 1 1 calc R . . . .
C731 C -0.0527(6) 0.1733(3) 0.5644(4) 0.040(3) Uani 1 1 d . . . . .
C732 C -0.1019(7) 0.1755(4) 0.5310(5) 0.057(4) Uani 1 1 d . . . . .
H732 H -0.1378 0.1642 0.5362 0.068 Uiso 1 1 calc R . . . .
C733 C -0.0983(8) 0.1942(4) 0.4905(5) 0.063(5) Uani 1 1 d . . . . .
H733 H -0.1309 0.1949 0.4678 0.075 Uiso 1 1 calc R . . . .
C734 C -0.0445(8) 0.2125(4) 0.4838(5) 0.062(4) Uani 1 1 d . . . . .
H734 H -0.0412 0.2256 0.4570 0.074 Uiso 1 1 calc R . . . .
C735 C 0.0016(8) 0.2103(4) 0.5172(5) 0.060(4) Uani 1 1 d . . . . .
H735 H 0.0367 0.2226 0.5141 0.072 Uiso 1 1 calc R . . . .
C736 C -0.0020(7) 0.1901(4) 0.5562(5) 0.052(4) Uani 1 1 d . . . . .
H736 H 0.0320 0.1881 0.5774 0.062 Uiso 1 1 calc R . . . .
C811 C 0.0616(6) 0.2838(3) 0.4361(4) 0.039(3) Uani 1 1 d . . . . .
C812 C 0.0958(7) 0.2569(3) 0.4337(5) 0.050(3) Uani 1 1 d . . . . .
H812 H 0.1221 0.2515 0.4596 0.060 Uiso 1 1 calc R . . . .
C813 C 0.0913(7) 0.2377(5) 0.3928(6) 0.071(5) Uani 1 1 d . . . . .
H813 H 0.1146 0.2197 0.3907 0.085 Uiso 1 1 calc R . . . .
C814 C 0.0506(8) 0.2465(6) 0.3555(6) 0.088(7) Uani 1 1 d . . . . .
H814 H 0.0488 0.2348 0.3270 0.105 Uiso 1 1 calc R . . . .
C815 C 0.0139(8) 0.2712(6) 0.3594(6) 0.085(7) Uani 1 1 d . . . . .
H815 H -0.0160 0.2747 0.3352 0.101 Uiso 1 1 calc R . . . .
C816 C 0.0189(6) 0.2922(5) 0.3989(5) 0.061(5) Uani 1 1 d . . . . .
H816 H -0.0043 0.3102 0.4002 0.073 Uiso 1 1 calc R . . . .
C821 C 0.1306(6) 0.3376(3) 0.4713(5) 0.040(3) Uani 1 1 d . . . . .
C822 C 0.1411(6) 0.3439(4) 0.4223(5) 0.054(4) Uani 1 1 d . . . . .
H822 H 0.1246 0.3314 0.3977 0.065 Uiso 1 1 calc R . . . .
C823 C 0.1772(8) 0.3695(4) 0.4110(7) 0.065(5) Uani 1 1 d . . . . .
H823 H 0.1839 0.3742 0.3782 0.077 Uiso 1 1 calc R . . . .
C824 C 0.2030(8) 0.3878(4) 0.4462(8) 0.074(5) Uani 1 1 d . . . . .
H824 H 0.2264 0.4049 0.4374 0.089 Uiso 1 1 calc R . . . .
C825 C 0.1945(8) 0.3809(4) 0.4956(8) 0.070(5) Uani 1 1 d . . . . .
H825 H 0.2122 0.3931 0.5200 0.084 Uiso 1 1 calc R . . . .
C826 C 0.1582(7) 0.3550(3) 0.5074(5) 0.052(4) Uani 1 1 d . . . . .
H826 H 0.1530 0.3497 0.5400 0.062 Uiso 1 1 calc R . . . .
C831 C 0.0031(5) 0.3313(4) 0.4953(5) 0.042(3) Uani 1 1 d . . . . .
C832 C -0.0016(6) 0.3613(4) 0.4790(5) 0.053(4) Uani 1 1 d . . . . .
H832 H 0.0324 0.3705 0.4643 0.063 Uiso 1 1 calc R . . . .
C833 C -0.0552(8) 0.3777(5) 0.4841(5) 0.067(5) Uani 1 1 d . . . . .
H833 H -0.0574 0.3978 0.4725 0.080 Uiso 1 1 calc R . . . .
C834 C -0.1066(8) 0.3647(5) 0.5062(5) 0.063(5) Uani 1 1 d . . . . .
H834 H -0.1431 0.3759 0.5097 0.075 Uiso 1 1 calc R . . . .
C835 C -0.1020(7) 0.3347(5) 0.5230(5) 0.068(6) Uani 1 1 d . . . . .
H835 H -0.1362 0.3255 0.5375 0.082 Uiso 1 1 calc R . . . .
C836 C -0.0467(5) 0.3180(3) 0.5187(5) 0.043(3) Uani 1 1 d . . . . .
H836 H -0.0435 0.2982 0.5314 0.052 Uiso 1 1 calc R . . . .
C911 C -0.0067(6) 0.3754(3) 0.6654(5) 0.045(3) Uani 1 1 d . . . . .
C912 C -0.0238(7) 0.3837(3) 0.6181(6) 0.053(4) Uani 1 1 d . . . . .
H912 H -0.0294 0.3687 0.5942 0.064 Uiso 1 1 calc R . . . .
C913 C -0.0323(9) 0.4136(4) 0.6070(7) 0.078(6) Uani 1 1 d . . . . .
H913 H -0.0445 0.4188 0.5753 0.093 Uiso 1 1 calc R . . . .
C914 C -0.0234(8) 0.4368(4) 0.6408(8) 0.074(5) Uani 1 1 d . . . . .
H914 H -0.0309 0.4574 0.6329 0.089 Uiso 1 1 calc R . . . .
C915 C -0.0037(11) 0.4286(5) 0.6854(8) 0.093(7) Uani 1 1 d . . . . .
H915 H 0.0043 0.4440 0.7083 0.111 Uiso 1 1 calc R . . . .
C916 C 0.0054(8) 0.3989(4) 0.6991(6) 0.064(5) Uani 1 1 d . . . . .
H916 H 0.0195 0.3942 0.7306 0.077 Uiso 1 1 calc R . . . .
C921 C 0.0017(6) 0.3334(4) 0.7468(5) 0.049(4) Uani 1 1 d . . . . .
C922 C 0.0542(7) 0.3261(3) 0.7754(5) 0.047(3) Uani 1 1 d . . . . .
H922 H 0.0913 0.3209 0.7605 0.057 Uiso 1 1 calc R . . . .
C923 C 0.0505(8) 0.3266(4) 0.8256(5) 0.057(4) Uani 1 1 d . . . . .
H923 H 0.0860 0.3225 0.8442 0.069 Uiso 1 1 calc R . . . .
C924 C -0.0034(10) 0.3331(5) 0.8489(6) 0.076(5) Uani 1 1 d . . . . .
H924 H -0.0041 0.3338 0.8829 0.091 Uiso 1 1 calc R . . . .
C925 C -0.0567(10) 0.3388(5) 0.8223(7) 0.094(7) Uani 1 1 d . . . . .
H925 H -0.0940 0.3422 0.8382 0.113 Uiso 1 1 calc R . . . .
C926 C -0.0548(9) 0.3393(5) 0.7698(6) 0.082(6) Uani 1 1 d . . . . .
H926 H -0.0904 0.3436 0.7514 0.099 Uiso 1 1 calc R . . . .
C931 C -0.0629(6) 0.3160(3) 0.6563(5) 0.043(3) Uani 1 1 d . . . . .
C932 C -0.1203(7) 0.3301(4) 0.6554(6) 0.059(4) Uani 1 1 d . . . . .
H932 H -0.1237 0.3503 0.6661 0.071 Uiso 1 1 calc R . . . .
C933 C -0.1732(7) 0.3147(5) 0.6387(7) 0.074(6) Uani 1 1 d . . . . .
H933 H -0.2119 0.3241 0.6390 0.089 Uiso 1 1 calc R . . . .
C934 C -0.1661(8) 0.2844(5) 0.6215(7) 0.074(5) Uani 1 1 d . . . . .
H934 H -0.2002 0.2740 0.6083 0.089 Uiso 1 1 calc R . . . .
C935 C -0.1102(9) 0.2705(4) 0.6239(7) 0.077(5) Uani 1 1 d . . . . .
H935 H -0.1072 0.2500 0.6146 0.093 Uiso 1 1 calc R . . . .
C936 C -0.0580(6) 0.2855(3) 0.6393(5) 0.044(3) Uani 1 1 d . . . . .
H936 H -0.0195 0.2757 0.6387 0.052 Uiso 1 1 calc R . . . .
P13 P 0.2292(3) 0.10700(15) 1.0934(2) 0.0928(16) Uiso 1 1 d . . . . .
F1 F 0.2865(9) 0.1079(5) 1.1302(7) 0.162(6) Uiso 1 1 d . . . . .
F2 F 0.1716(6) 0.1083(3) 1.0578(5) 0.115(4) Uiso 1 1 d . . . . .
F3 F 0.1958(12) 0.0821(7) 1.1241(10) 0.221(10) Uiso 1 1 d . . . . .
F4 F 0.2613(8) 0.1337(4) 1.0596(7) 0.151(6) Uiso 1 1 d . . . . .
F5 F 0.2587(9) 0.0815(5) 1.0629(8) 0.175(7) Uiso 1 1 d . . . . .
F6 F 0.2013(9) 0.1346(5) 1.1228(7) 0.157(6) Uiso 1 1 d . . . . .
P14 P 0.2425(4) 0.3774(2) 0.9431(4) 0.139(3) Uiso 1 1 d . . . . .
F7 F 0.1722(12) 0.3602(6) 0.9412(10) 0.219(10) Uiso 1 1 d . . . . .
F8 F 0.3118(16) 0.3909(8) 0.9407(12) 0.277(14) Uiso 1 1 d . . . . .
F9 F 0.2654(12) 0.3412(7) 0.9557(10) 0.224(10) Uiso 1 1 d . . . . .
F10 F 0.2070(14) 0.4087(8) 0.9254(11) 0.253(12) Uiso 1 1 d . . . . .
F11 F 0.2264(16) 0.3823(8) 0.9999(13) 0.284(15) Uiso 1 1 d . . . . .
F12 F 0.2515(12) 0.3685(6) 0.8855(10) 0.218(10) Uiso 1 1 d . . . . .
P15 P 0.0000 0.5000 0.5000 0.121(3) Uiso 1 2 d S T P . .
F13 F 0.0136(9) 0.4627(5) 0.4914(8) 0.176(7) Uiso 1 1 d . . . . .
F14 F 0.0707(11) 0.5076(6) 0.4813(9) 0.205(9) Uiso 1 1 d . . . . .
F15 F 0.0213(9) 0.5004(5) 0.5577(8) 0.174(7) Uiso 1 1 d . . . . .
O1S O -0.2199(9) 0.3111(5) 0.7665(7) 0.137(6) Uiso 1 1 d . . . . .
O2G O -0.0321(11) -0.0572(6) 0.9059(9) 0.075(6) Uiso 0.5 1 d D U . . .
O32 O -0.0604(15) -0.0067(8) 0.9504(12) 0.110(10) Uiso 0.5 1 d . U . . .
C2S C -0.0777(17) -0.0334(9) 0.9172(16) 0.192(15) Uiso 1 1 d D U . . .
O3S O 0.6618(11) 0.1599(6) 0.7931(9) 0.164(8) Uiso 1 1 d . . . . .
C3S C 0.6629(16) 0.1824(8) 0.7564(13) 0.148(11) Uiso 1 1 d . . . . .
O4S O 0.6654(12) 0.2559(7) 0.6398(10) 0.185(9) Uiso 1 1 d . . . . .
C4S C 0.6495(14) 0.2840(8) 0.6181(12) 0.134(10) Uiso 1 1 d . . . . .
O5S O 0.1014(8) 0.1431(4) 0.3126(7) 0.123(6) Uiso 1 1 d . . . . .
C5S C 0.039(2) 0.1403(11) 0.3325(16) 0.194(16) Uiso 1 1 d . . . . .
O6S O 0.1536(12) 0.2069(7) 0.2555(10) 0.184(9) Uiso 1 1 d D . . . .
C6S C 0.1947(17) 0.2271(9) 0.2337(14) 0.177(14) Uiso 1 1 d D . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 '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 Au6 76.493(17) . . ?
Au3 Au1 Au2 87.136(18) . . ?
Au3 Au1 Au4 64.515(17) . . ?
Au3 Au1 Au6 108.41(2) . . ?
Au4 Au1 Au2 111.66(2) . . ?
Au4 Au1 Au6 59.261(17) . . ?
Au9 Au1 Au2 55.036(16) . . ?
Au9 Au1 Au3 58.605(16) . . ?
Au9 Au1 Au4 57.143(16) . . ?
Au9 Au1 Au6 55.147(15) . . ?
P1 Au1 Au2 124.10(9) . . ?
P1 Au1 Au3 116.27(9) . . ?
P1 Au1 Au4 124.23(9) . . ?
P1 Au1 Au6 130.59(8) . . ?
P1 Au1 Au9 174.26(9) . . ?
Au1 Au2 Au5 90.456(18) . . ?
Au7 Au2 Au1 98.891(19) . . ?
Au7 Au2 Au5 86.505(17) . . ?
Au9 Au2 Au1 55.835(16) . . ?
Au9 Au2 Au5 55.688(15) . . ?
Au9 Au2 Au7 57.295(16) . . ?
P2 Au2 Au1 123.54(8) . . ?
P2 Au2 Au5 120.44(8) . . ?
P2 Au2 Au7 126.47(8) . . ?
P2 Au2 Au9 175.35(8) . . ?
Au1 Au3 Au4 59.392(16) . . ?
Au1 Au3 Au5 96.256(19) . . ?
Au5 Au3 Au4 109.438(19) . . ?
Au8 Au3 Au1 108.31(2) . . ?
Au8 Au3 Au4 61.203(16) . . ?
Au8 Au3 Au5 69.705(17) . . ?
Au9 Au3 Au1 56.803(15) . . ?
Au9 Au3 Au4 54.804(15) . . ?
Au9 Au3 Au5 56.940(15) . . ?
Au9 Au3 Au8 57.741(15) . . ?
P3 Au3 Au1 127.05(8) . . ?
P3 Au3 Au4 130.62(8) . . ?
P3 Au3 Au5 117.06(8) . . ?
P3 Au3 Au8 121.00(8) . . ?
P3 Au3 Au9 173.97(8) . . ?
Au1 Au4 Au3 56.093(15) . . ?
Au1 Au4 Au8 100.443(19) . . ?
Au1 Au4 Au11 106.91(2) . . ?
Au6 Au4 Au1 61.408(17) . . ?
Au6 Au4 Au3 103.667(19) . . ?
Au6 Au4 Au8 103.521(19) . . ?
Au6 Au4 Au11 60.260(17) . . ?
Au8 Au4 Au3 54.791(15) . . ?
Au9 Au4 Au1 55.521(16) . . ?
Au9 Au4 Au3 54.887(15) . . ?
Au9 Au4 Au6 55.541(16) . . ?
Au9 Au4 Au8 55.203(15) . . ?
Au9 Au4 Au11 56.661(15) . . ?
Au11 Au4 Au3 101.606(18) . . ?
Au11 Au4 Au8 57.438(15) . . ?
P4 Au4 Au1 127.34(9) . . ?
P4 Au4 Au3 130.55(10) . . ?
P4 Au4 Au6 120.49(10) . . ?
P4 Au4 Au8 125.51(9) . . ?
P4 Au4 Au9 174.42(10) . . ?
P4 Au4 Au11 118.39(9) . . ?
Au2 Au5 Au8 106.275(17) . . ?
Au3 Au5 Au2 85.408(18) . . ?
Au3 Au5 Au8 54.131(14) . . ?
Au9 Au5 Au2 54.105(15) . . ?
Au9 Au5 Au3 57.842(15) . . ?
Au9 Au5 Au8 52.225(14) . . ?
Au9 Au5 Au10 59.180(15) . . ?
Au10 Au5 Au2 88.629(18) . . ?
Au10 Au5 Au3 104.916(19) . . ?
Au10 Au5 Au8 56.653(15) . . ?
P5 Au5 Au2 127.19(8) . . ?
P5 Au5 Au3 131.66(8) . . ?
P5 Au5 Au8 125.46(8) . . ?
P5 Au5 Au9 168.71(8) . . ?
P5 Au5 Au10 109.78(8) . . ?
Au4 Au6 Au1 59.331(16) . . ?
Au4 Au6 Au11 60.517(17) . . ?
Au7 Au6 Au1 100.338(19) . . ?
Au7 Au6 Au4 110.94(2) . . ?
Au7 Au6 Au11 65.897(17) . . ?
Au9 Au6 Au1 55.156(15) . . ?
Au9 Au6 Au4 57.175(16) . . ?
Au9 Au6 Au7 58.399(16) . . ?
Au9 Au6 Au11 57.210(16) . . ?
Au11 Au6 Au1 105.533(19) . . ?
P6 Au6 Au1 125.96(9) . . ?
P6 Au6 Au4 133.51(10) . . ?
P6 Au6 Au7 112.45(9) . . ?
P6 Au6 Au9 169.22(10) . . ?
P6 Au6 Au11 126.49(9) . . ?
Au2 Au7 Au11 108.708(18) . . ?
Au6 Au7 Au2 79.077(18) . . ?
Au6 Au7 Au11 58.844(17) . . ?
Au9 Au7 Au2 54.783(15) . . ?
Au9 Au7 Au6 56.597(16) . . ?
Au9 Au7 Au10 59.142(16) . . ?
Au9 Au7 Au11 54.139(15) . . ?
Au10 Au7 Au2 90.463(18) . . ?
Au10 Au7 Au6 107.08(2) . . ?
Au10 Au7 Au11 57.616(16) . . ?
P7 Au7 Au2 129.91(8) . . ?
P7 Au7 Au6 126.90(8) . . ?
P7 Au7 Au9 173.27(9) . . ?
P7 Au7 Au10 114.52(8) . . ?
P7 Au7 Au11 121.38(8) . . ?
Au3 Au8 Au4 64.006(17) . . ?
Au3 Au8 Au5 56.164(15) . . ?
Au3 Au8 Au10 104.26(2) . . ?
Au3 Au8 Au11 111.62(2) . . ?
Au4 Au8 Au5 102.123(18) . . ?
Au9 Au8 Au3 58.782(16) . . ?
Au9 Au8 Au4 56.060(16) . . ?
Au9 Au8 Au5 52.312(14) . . ?
Au9 Au8 Au10 57.971(16) . . ?
Au9 Au8 Au11 58.244(16) . . ?
Au10 Au8 Au4 106.743(19) . . ?
Au10 Au8 Au5 53.888(14) . . ?
Au11 Au8 Au4 60.761(17) . . ?
Au11 Au8 Au5 100.675(18) . . ?
Au11 Au8 Au10 60.012(16) . . ?
Au13 Au8 Au3 153.00(2) . . ?
Au13 Au8 Au4 130.93(2) . . ?
Au13 Au8 Au5 125.12(2) . . ?
Au13 Au8 Au9 146.82(2) . . ?
Au13 Au8 Au10 92.824(19) . . ?
Au13 Au8 Au11 94.959(19) . . ?
Au1 Au9 Au3 64.593(17) . . ?
Au1 Au9 Au4 67.336(18) . . ?
Au1 Au9 Au5 107.27(2) . . ?
Au1 Au9 Au7 115.83(2) . . ?
Au1 Au9 Au8 120.06(2) . . ?
Au1 Au9 Au10 168.34(2) . . ?
Au1 Au9 Au11 126.55(2) . . ?
Au2 Au9 Au1 69.130(18) . . ?
Au2 Au9 Au3 98.46(2) . . ?
Au2 Au9 Au4 135.60(2) . . ?
Au2 Au9 Au5 70.208(18) . . ?
Au2 Au9 Au6 89.93(2) . . ?
Au2 Au9 Au7 67.922(18) . . ?
Au2 Au9 Au8 145.54(2) . . ?
Au2 Au9 Au10 100.40(2) . . ?
Au2 Au9 Au11 139.71(2) . . ?
Au3 Au9 Au7 163.47(2) . . ?
Au3 Au9 Au10 113.64(2) . . ?
Au3 Au9 Au11 121.83(2) . . ?
Au4 Au9 Au3 70.309(18) . . ?
Au4 Au9 Au7 125.87(2) . . ?
Au4 Au9 Au10 123.70(2) . . ?
Au4 Au9 Au11 67.297(18) . . ?
Au5 Au9 Au3 65.218(17) . . ?
Au5 Au9 Au4 131.80(2) . . ?
Au5 Au9 Au7 100.27(2) . . ?
Au5 Au9 Au10 63.122(16) . . ?
Au5 Au9 Au11 123.76(2) . . ?
Au6 Au9 Au1 69.697(18) . . ?
Au6 Au9 Au3 126.38(2) . . ?
Au6 Au9 Au4 67.284(19) . . ?
Au6 Au9 Au5 159.12(2) . . ?
Au6 Au9 Au7 65.004(18) . . ?
Au6 Au9 Au8 124.52(2) . . ?
Au6 Au9 Au10 116.63(2) . . ?
Au6 Au9 Au11 67.809(18) . . ?
Au7 Au9 Au10 62.263(17) . . ?
Au7 Au9 Au11 72.203(18) . . ?
Au8 Au9 Au3 63.477(17) . . ?
Au8 Au9 Au4 68.736(18) . . ?
Au8 Au9 Au5 75.463(18) . . ?
Au8 Au9 Au7 122.55(2) . . ?
Au8 Au9 Au10 65.576(17) . . ?
Au8 Au9 Au11 65.076(17) . . ?
Au10 Au9 Au11 64.720(17) . . ?
Au5 Au10 Au8 69.459(16) . . ?
Au5 Au10 Au11 112.15(2) . . ?
Au7 Au10 Au5 94.404(19) . . ?
Au7 Au10 Au8 110.91(2) . . ?
Au7 Au10 Au11 67.970(17) . . ?
Au9 Au10 Au5 57.698(15) . . ?
Au9 Au10 Au7 58.595(16) . . ?
Au9 Au10 Au8 56.454(15) . . ?
Au9 Au10 Au11 57.656(15) . . ?
Au11 Au10 Au8 59.666(16) . . ?
Au14 Au10 Au5 136.33(2) . . ?
Au14 Au10 Au7 125.42(2) . . ?
Au14 Au10 Au8 106.07(2) . . ?
Au14 Au10 Au9 156.01(2) . . ?
Au14 Au10 Au11 100.22(2) . . ?
Au4 Au11 Au7 101.797(18) . . ?
Au4 Au11 Au12 131.33(2) . . ?
Au6 Au11 Au4 59.223(16) . . ?
Au6 Au11 Au7 55.259(16) . . ?
Au6 Au11 Au12 169.44(2) . . ?
Au8 Au11 Au4 61.801(16) . . ?
Au8 Au11 Au6 106.044(19) . . ?
Au8 Au11 Au7 101.205(18) . . ?
Au8 Au11 Au10 60.322(16) . . ?
Au8 Au11 Au12 82.038(17) . . ?
Au9 Au11 Au4 56.043(15) . . ?
Au9 Au11 Au6 54.981(15) . . ?
Au9 Au11 Au7 53.658(15) . . ?
Au9 Au11 Au8 56.680(15) . . ?
Au9 Au11 Au10 57.624(15) . . ?
Au9 Au11 Au12 128.56(2) . . ?
Au10 Au11 Au4 107.773(19) . . ?
Au10 Au11 Au6 101.319(19) . . ?
Au10 Au11 Au7 54.414(15) . . ?
Au10 Au11 Au12 76.507(17) . . ?
Au12 Au11 Au7 117.159(19) . . ?
S1 Au11 Au4 129.45(7) . . ?
S1 Au11 Au6 127.50(7) . . ?
S1 Au11 Au7 122.51(7) . . ?
S1 Au11 Au8 123.35(7) . . ?
S1 Au11 Au9 174.38(7) . . ?
S1 Au11 Au10 117.04(7) . . ?
S1 Au11 Au12 47.94(7) . . ?
Au13 Au12 Au11 86.258(17) . . ?
Au13 Au12 Au16 115.49(2) . . ?
Au13 Au12 Au18 56.607(15) . . ?
Au14 Au12 Au11 91.487(18) . . ?
Au14 Au12 Au13 85.656(18) . . ?
Au14 Au12 Au16 57.409(16) . . ?
Au14 Au12 Au17 58.108(16) . . ?
Au14 Au12 Au18 114.73(2) . . ?
Au16 Au12 Au11 137.87(2) . . ?
Au17 Au12 Au11 132.74(2) . . ?
Au17 Au12 Au13 58.651(15) . . ?
Au17 Au12 Au16 56.992(15) . . ?
Au17 Au12 Au18 56.863(16) . . ?
Au18 Au12 Au11 130.08(2) . . ?
Au18 Au12 Au16 90.906(19) . . ?
S1 Au12 Au11 48.07(7) . . ?
S1 Au12 Au13 121.73(7) . . ?
S1 Au12 Au14 122.50(7) . . ?
S1 Au12 Au16 122.68(7) . . ?
S1 Au12 Au17 179.17(7) . . ?
S1 Au12 Au18 122.59(7) . . ?
Au8 Au13 Au12 94.331(19) . . ?
Au8 Au13 Au17 130.51(2) . . ?
Au8 Au13 Au18 148.17(2) . . ?
Au8 Au13 Au19 149.06(2) . . ?
Au12 Au13 Au19 110.567(19) . . ?
Au17 Au13 Au12 60.295(16) . . ?
Au17 Au13 Au19 56.303(15) . . ?
Au18 Au13 Au12 63.146(17) . . ?
Au18 Au13 Au17 59.553(17) . . ?
Au18 Au13 Au19 62.646(17) . . ?
Au10 Au14 Au12 88.106(19) . . ?
Au10 Au14 Au15 149.24(2) . . ?
Au10 Au14 Au16 147.53(2) . . ?
Au10 Au14 Au17 120.83(2) . . ?
Au12 Au14 Au15 111.71(2) . . ?
Au16 Au14 Au12 63.272(17) . . ?
Au16 Au14 Au15 62.057(17) . . ?
Au17 Au14 Au12 60.965(16) . . ?
Au17 Au14 Au15 57.747(16) . . ?
Au17 Au14 Au16 59.847(16) . . ?
Au14 Au15 Au16 57.043(16) . . ?
Au17 Au15 Au14 58.586(16) . . ?
Au17 Au15 Au16 58.310(16) . . ?
Au17 Au15 Au20 57.420(17) . . ?
Au20 Au15 Au14 114.18(2) . . ?
Au20 Au15 Au16 99.20(2) . . ?
P9 Au15 Au14 116.03(9) . . ?
P9 Au15 Au16 122.59(8) . . ?
P9 Au15 Au17 173.71(9) . . ?
P9 Au15 Au20 126.63(9) . . ?
Au14 Au16 Au12 59.319(16) . . ?
Au14 Au16 Au15 60.900(16) . . ?
Au15 Au16 Au12 107.751(19) . . ?
Au17 Au16 Au12 59.530(16) . . ?
Au17 Au16 Au14 59.657(16) . . ?
Au17 Au16 Au15 57.307(16) . . ?
P8 Au16 Au12 129.91(9) . . ?
P8 Au16 Au14 160.97(8) . . ?
P8 Au16 Au15 119.97(9) . . ?
P8 Au16 Au17 138.54(8) . . ?
Au13 Au17 Au12 61.054(16) . . ?
Au14 Au17 Au12 60.927(16) . . ?
Au14 Au17 Au13 88.558(19) . . ?
Au14 Au17 Au16 60.496(16) . . ?
Au15 Au17 Au12 116.79(2) . . ?
Au15 Au17 Au13 142.83(2) . . ?
Au15 Au17 Au14 63.667(17) . . ?
Au15 Au17 Au16 64.383(17) . . ?
Au15 Au17 Au18 156.84(2) . . ?
Au16 Au17 Au12 63.478(17) . . ?
Au16 Au17 Au13 124.35(2) . . ?
Au18 Au17 Au12 63.404(17) . . ?
Au18 Au17 Au13 59.489(17) . . ?
Au18 Au17 Au14 124.04(2) . . ?
Au18 Au17 Au16 99.06(2) . . ?
Au19 Au17 Au12 118.24(2) . . ?
Au19 Au17 Au13 64.277(17) . . ?
Au19 Au17 Au14 142.15(2) . . ?
Au19 Au17 Au15 123.87(2) . . ?
Au19 Au17 Au16 156.90(2) . . ?
Au19 Au17 Au18 65.585(18) . . ?
Au20 Au17 Au12 166.85(2) . . ?
Au20 Au17 Au13 127.41(2) . . ?
Au20 Au17 Au14 125.12(2) . . ?
Au20 Au17 Au15 63.750(18) . . ?
Au20 Au17 Au16 107.95(2) . . ?
Au20 Au17 Au18 110.48(2) . . ?
Au20 Au17 Au19 65.328(18) . . ?
Au12 Au18 Au19 107.54(2) . . ?
Au13 Au18 Au12 60.246(16) . . ?
Au13 Au18 Au17 60.958(17) . . ?
Au13 Au18 Au19 61.502(16) . . ?
Au17 Au18 Au12 59.732(16) . . ?
Au17 Au18 Au19 56.311(16) . . ?
P11 Au18 Au12 128.72(9) . . ?
P11 Au18 Au13 151.78(9) . . ?
P11 Au18 Au17 146.94(9) . . ?
P11 Au18 Au19 123.22(9) . . ?
Au13 Au19 Au18 55.852(15) . . ?
Au17 Au19 Au13 59.419(16) . . ?
Au17 Au19 Au18 58.104(16) . . ?
Au17 Au19 Au20 57.219(16) . . ?
Au20 Au19 Au13 114.95(2) . . ?
Au20 Au19 Au18 99.47(2) . . ?
P10 Au19 Au13 113.99(8) . . ?
P10 Au19 Au17 170.62(8) . . ?
P10 Au19 Au18 125.21(9) . . ?
P10 Au19 Au20 126.66(8) . . ?
Au15 Au20 Au19 112.22(2) . . ?
Au17 Au20 Au15 58.830(17) . . ?
Au17 Au20 Au19 57.453(16) . . ?
P12 Au20 Au15 120.24(9) . . ?
P12 Au20 Au17 173.74(9) . . ?
P12 Au20 Au19 125.61(9) . . ?
Au12 S1 Au11 83.99(8) . . ?
C11 S1 Au11 108.2(4) . . ?
C11 S1 Au12 105.0(4) . . ?
C1O P1 Au1 115.1(4) . . ?
C1O P1 C8 105.6(6) . . ?
C1O P1 C27 101.0(6) . . ?
C8 P1 Au1 111.2(4) . . ?
C8 P1 C27 106.9(6) . . ?
C27 P1 Au1 116.0(4) . . ?
C1B P2 Au2 117.6(4) . . ?
C1B P2 C1H 103.7(6) . . ?
C1H P2 Au2 112.6(4) . . ?
C1P P2 Au2 114.6(4) . . ?
C1P P2 C1B 102.2(6) . . ?
C1P P2 C1H 104.7(6) . . ?
C1V P3 Au3 110.3(4) . . ?
C1V P3 C21 103.1(5) . . ?
C21 P3 Au3 114.9(4) . . ?
C28 P3 Au3 116.5(4) . . ?
C28 P3 C1V 104.7(6) . . ?
C28 P3 C21 106.1(6) . . ?
C411 P4 Au4 113.2(5) . . ?
C411 P4 C431 106.1(7) . . ?
C421 P4 Au4 118.5(5) . . ?
C421 P4 C411 105.0(7) . . ?
C421 P4 C431 99.9(8) . . ?
C431 P4 Au4 112.7(5) . . ?
C511 P5 Au5 120.0(4) . . ?
C521 P5 Au5 109.6(4) . . ?
C521 P5 C511 104.3(5) . . ?
C531 P5 Au5 113.7(4) . . ?
C531 P5 C511 103.1(5) . . ?
C531 P5 C521 104.7(6) . . ?
C611 P6 Au6 113.6(5) . . ?
C621 P6 Au6 110.7(4) . . ?
C621 P6 C611 104.7(7) . . ?
C621 P6 C631 104.7(6) . . ?
C631 P6 Au6 117.4(4) . . ?
C631 P6 C611 104.6(6) . . ?
C711 P7 Au7 117.1(4) . . ?
C711 P7 C721 103.7(6) . . ?
C711 P7 C731 107.3(6) . . ?
C721 P7 Au7 114.5(4) . . ?
C721 P7 C731 100.1(6) . . ?
C731 P7 Au7 112.4(4) . . ?
C811 P8 Au16 114.5(4) . . ?
C811 P8 C821 106.3(6) . . ?
C811 P8 C831 106.1(6) . . ?
C821 P8 Au16 112.7(4) . . ?
C831 P8 Au16 113.9(4) . . ?
C831 P8 C821 102.3(6) . . ?
C911 P9 Au15 116.2(5) . . ?
C921 P9 Au15 112.2(4) . . ?
C921 P9 C911 104.8(7) . . ?
C921 P9 C931 107.0(7) . . ?
C931 P9 Au15 112.4(4) . . ?
C931 P9 C911 103.3(6) . . ?
C111 P10 Au19 113.6(4) . . ?
C111 P10 C121 105.0(6) . . ?
C121 P10 Au19 111.4(4) . . ?
C131 P10 Au19 115.0(4) . . ?
C131 P10 C111 103.9(6) . . ?
C131 P10 C121 107.1(6) . . ?
C211 P11 Au18 113.4(4) . . ?
C211 P11 C221 104.8(6) . . ?
C211 P11 C231 104.0(6) . . ?
C221 P11 Au18 114.2(4) . . ?
C221 P11 C231 108.2(6) . . ?
C231 P11 Au18 111.4(4) . . ?
C311 P12 Au20 111.1(4) . . ?
C311 P12 C321 107.1(6) . . ?
C321 P12 Au20 112.3(4) . . ?
C331 P12 Au20 116.2(4) . . ?
C331 P12 C311 104.4(6) . . ?
C331 P12 C321 105.1(6) . . ?
C17 O2 H2 109.5 . . ?
C1O C1 H1 119.7 . . ?
C2B C1 H1 119.7 . . ?
C2B C1 C1O 120.7(14) . . ?
C8 C1A H1A 120.1 . . ?
C19 C1A H1A 120.1 . . ?
C19 C1A C8 119.8(16) . . ?
C1C C1B P2 118.4(10) . . ?
C1C C1B C1G 118.3(14) . . ?
C1G C1B P2 123.3(11) . . ?
C1B C1C H1C 119.3 . . ?
C1D C1C C1B 121.4(16) . . ?
C1D C1C H1C 119.3 . . ?
C1C C1D H1D 119.0 . . ?
C1C C1D C1E 122.0(18) . . ?
C1E C1D H1D 119.0 . . ?
C1D C1E H1E 121.1 . . ?
C1D C1E C1F 117.7(16) . . ?
C1F C1E H1E 121.1 . . ?
C1E C1F H1F 119.9 . . ?
C1G C1F C1E 120.2(16) . . ?
C1G C1F H1F 119.9 . . ?
C1B C1G H1G 119.9 . . ?
C1F C1G C1B 120.2(16) . . ?
C1F C1G H1G 119.9 . . ?
C1I C1H P2 121.5(10) . . ?
C1I C1H C1N 119.9(12) . . ?
C1N C1H P2 118.5(10) . . ?
C1H C1I H1I 119.8 . . ?
C1H C1I C1K 120.5(13) . . ?
C1K C1I H1I 119.8 . . ?
C2C C1J H1J 120.1 . . ?
C2C C1J C5 119.8(14) . . ?
C5 C1J H1J 120.1 . . ?
C1I C1K H1K 120.5 . . ?
C1I C1K C1L 119.0(13) . . ?
C1L C1K H1K 120.5 . . ?
C1K C1L H1L 120.1 . . ?
C1M C1L C1K 119.7(13) . . ?
C1M C1L H1L 120.1 . . ?
C1L C1M H1M 119.5 . . ?
C1N C1M C1L 121.1(13) . . ?
C1N C1M H1M 119.5 . . ?
C1H C1N H1N 120.2 . . ?
C1M C1N C1H 119.7(13) . . ?
C1M C1N H1N 120.2 . . ?
C1 C1O P1 118.1(10) . . ?
C1 C1O C4 117.7(12) . . ?
C4 C1O P1 124.1(10) . . ?
C1Q C1P P2 119.2(10) . . ?
C1Q C1P C1U 119.2(12) . . ?
C1U C1P P2 121.5(10) . . ?
C1P C1Q H1Q 119.6 . . ?
C1P C1Q C1R 120.7(12) . . ?
C1R C1Q H1Q 119.6 . . ?
C1Q C1R H1R 119.9 . . ?
C1S C1R C1Q 120.2(13) . . ?
C1S C1R H1R 119.9 . . ?
C1R C1S H1S 120.6 . . ?
C1R C1S C1T 118.7(12) . . ?
C1T C1S H1S 120.6 . . ?
C1S C1T H1T 119.7 . . ?
C1U C1T C1S 120.6(12) . . ?
C1U C1T H1T 119.7 . . ?
C1P C1U H1U 119.8 . . ?
C1T C1U C1P 120.5(12) . . ?
C1T C1U H1U 119.8 . . ?
C1W C1V P3 118.1(9) . . ?
C1W C1V C20 118.4(12) . . ?
C20 C1V P3 123.5(10) . . ?
C1V C1W H1W 119.5 . . ?
C1X C1W C1V 121.1(11) . . ?
C1X C1W H1W 119.5 . . ?
C1W C1X H1X 120.1 . . ?
C1W C1X C1Y 119.9(12) . . ?
C1Y C1X H1X 120.1 . . ?
C1X C1Y H1Y 120.5 . . ?
C1Z C1Y C1X 119.0(12) . . ?
C1Z C1Y H1Y 120.5 . . ?
C1Y C1Z H1Z 119.1 . . ?
C1Y C1Z C20 121.8(12) . . ?
C20 C1Z H1Z 119.1 . . ?
C2B C2 H2A 120.7 . . ?
C3 C2 H2A 120.7 . . ?
C3 C2 C2B 118.6(14) . . ?
C2D C2A H2AA 121.1 . . ?
C2D C2A C29 117.8(14) . . ?
C29 C2A H2AA 121.1 . . ?
C1 C2B C2 120.9(16) . . ?
C1 C2B H2B 119.5 . . ?
C2 C2B H2B 119.5 . . ?
C1J C2C H2C 119.1 . . ?
C1J C2C C27 121.8(14) . . ?
C27 C2C H2C 119.1 . . ?
C2A C2D H2D 119.0 . . ?
C2A C2D C2E 122.1(13) . . ?
C2E C2D H2D 119.0 . . ?
C2D C2E H2E 121.9 . . ?
C2F C2E C2D 116.1(14) . . ?
C2F C2E H2E 121.9 . . ?
C2E C2F H2F 118.7 . . ?
C28 C2F C2E 122.6(13) . . ?
C28 C2F H2F 118.7 . . ?
C2 C3 H3 118.7 . . ?
C4 C3 C2 122.7(14) . . ?
C4 C3 H3 118.7 . . ?
C1O C4 H4 120.4 . . ?
C3 C4 C1O 119.3(13) . . ?
C3 C4 H4 120.4 . . ?
C1J C5 H5 120.2 . . ?
C1J C5 C6 119.6(13) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 119.7 . . ?
C5 C6 C7 120.7(15) . . ?
C7 C6 H6 119.7 . . ?
C6 C7 H7 120.2 . . ?
C27 C7 C6 119.6(13) . . ?
C27 C7 H7 120.2 . . ?
C1A C8 P1 120.1(11) . . ?
C1A C8 C9 118.4(12) . . ?
C9 C8 P1 121.4(11) . . ?
C8 C9 H9 120.8 . . ?
C8 C9 C10 118.4(15) . . ?
C10 C9 H9 120.8 . . ?
C9 C10 H10 119.2 . . ?
C18 C10 C9 121.6(18) . . ?
C18 C10 H10 119.2 . . ?
C12 C11 S1 120.7(9) . . ?
C12 C11 C16 118.8(12) . . ?
C16 C11 S1 120.4(10) . . ?
C11 C12 H12 118.6 . . ?
C11 C12 C13 122.8(12) . . ?
C13 C12 H12 118.6 . . ?
C12 C13 H13 121.3 . . ?
C14 C13 C12 117.3(14) . . ?
C14 C13 H13 121.3 . . ?
C13 C14 H14 119.5 . . ?
C15 C14 C13 120.9(14) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 H15 118.8 . . ?
C14 C15 C16 122.4(14) . . ?
C16 C15 H15 118.8 . . ?
C11 C16 C17 123.5(13) . . ?
C15 C16 C11 117.6(13) . . ?
C15 C16 C17 118.7(12) . . ?
O1 C17 O2 118.9(17) . . ?
O1 C17 C16 125.6(14) . . ?
O2 C17 C16 115.3(16) . . ?
C10 C18 H18 119.8 . . ?
C10 C18 C19 120.4(17) . . ?
C19 C18 H18 119.8 . . ?
C1A C19 H19 119.3 . . ?
C18 C19 C1A 121.4(18) . . ?
C18 C19 H19 119.3 . . ?
C1V C20 H20 120.1 . . ?
C1Z C20 C1V 119.7(12) . . ?
C1Z C20 H20 120.1 . . ?
C22 C21 P3 119.9(9) . . ?
C22 C21 C26 119.4(12) . . ?
C26 C21 P3 120.6(10) . . ?
C21 C22 H22 120.3 . . ?
C21 C22 C23 119.5(13) . . ?
C23 C22 H22 120.3 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.3(15) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 119.8 . . ?
C25 C24 C23 120.5(14) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.7(15) . . ?
C26 C25 H25 120.1 . . ?
C21 C26 C25 120.5(15) . . ?
C21 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C2C C27 P1 121.8(10) . . ?
C7 C27 P1 119.7(10) . . ?
C7 C27 C2C 118.4(12) . . ?
C2F C28 P3 117.9(10) . . ?
C29 C28 P3 124.7(11) . . ?
C29 C28 C2F 117.3(13) . . ?
C2A C29 H29 118.0 . . ?
C28 C29 C2A 123.9(15) . . ?
C28 C29 H29 118.0 . . ?
C112 C111 P10 119.5(10) . . ?
C112 C111 C116 115.4(13) . . ?
C116 C111 P10 125.1(10) . . ?
C111 C112 H112 118.5 . . ?
C113 C112 C111 122.9(13) . . ?
C113 C112 H112 118.5 . . ?
C112 C113 H113 120.7 . . ?
C112 C113 C114 118.7(14) . . ?
C114 C113 H113 120.7 . . ?
C113 C114 H114 119.8 . . ?
C115 C114 C113 120.5(14) . . ?
C115 C114 H114 119.8 . . ?
C114 C115 H115 120.0 . . ?
C114 C115 C116 120.0(15) . . ?
C116 C115 H115 120.0 . . ?
C111 C116 H116 118.9 . . ?
C115 C116 C111 122.3(15) . . ?
C115 C116 H116 118.9 . . ?
C122 C121 P10 122.5(11) . . ?
C126 C121 P10 118.7(10) . . ?
C126 C121 C122 118.9(13) . . ?
C121 C122 H122 120.7 . . ?
C123 C122 C121 118.7(15) . . ?
C123 C122 H122 120.7 . . ?
C122 C123 H123 119.2 . . ?
C124 C123 C122 121.6(15) . . ?
C124 C123 H123 119.2 . . ?
C123 C124 H124 119.9 . . ?
C123 C124 C125 120.3(16) . . ?
C125 C124 H124 119.9 . . ?
C124 C125 H125 120.1 . . ?
C124 C125 C126 119.8(15) . . ?
C126 C125 H125 120.1 . . ?
C121 C126 C125 120.7(14) . . ?
C121 C126 H126 119.6 . . ?
C125 C126 H126 119.6 . . ?
C132 C131 P10 119.6(10) . . ?
C132 C131 C136 118.0(12) . . ?
C136 C131 P10 122.2(10) . . ?
C131 C132 H132 119.0 . . ?
C133 C132 C131 122.0(13) . . ?
C133 C132 H132 119.0 . . ?
C132 C133 H133 119.7 . . ?
C132 C133 C134 120.6(15) . . ?
C134 C133 H133 119.7 . . ?
C133 C134 H134 121.1 . . ?
C135 C134 C133 117.8(13) . . ?
C135 C134 H134 121.1 . . ?
C134 C135 H135 119.1 . . ?
C136 C135 C134 121.9(13) . . ?
C136 C135 H135 119.1 . . ?
C131 C136 H136 120.2 . . ?
C135 C136 C131 119.7(13) . . ?
C135 C136 H136 120.2 . . ?
C212 C211 P11 119.4(10) . . ?
C216 C211 P11 121.0(11) . . ?
C216 C211 C212 119.6(13) . . ?
C211 C212 H212 119.7 . . ?
C211 C212 C213 120.6(13) . . ?
C213 C212 H212 119.7 . . ?
C212 C213 H213 120.2 . . ?
C214 C213 C212 119.5(14) . . ?
C214 C213 H213 120.2 . . ?
C213 C214 H214 120.2 . . ?
C213 C214 C215 119.5(14) . . ?
C215 C214 H214 120.2 . . ?
C214 C215 H215 119.7 . . ?
C216 C215 C214 120.6(14) . . ?
C216 C215 H215 119.7 . . ?
C211 C216 H216 119.9 . . ?
C215 C216 C211 120.2(14) . . ?
C215 C216 H216 119.9 . . ?
C222 C221 P11 120.6(11) . . ?
C222 C221 C226 119.7(12) . . ?
C226 C221 P11 119.4(10) . . ?
C221 C222 H222 119.6 . . ?
C221 C222 C223 120.7(14) . . ?
C223 C222 H222 119.6 . . ?
C222 C223 H223 120.4 . . ?
C222 C223 C224 119.3(15) . . ?
C224 C223 H223 120.4 . . ?
C223 C224 H224 119.9 . . ?
C225 C224 C223 120.2(14) . . ?
C225 C224 H224 119.9 . . ?
C224 C225 H225 119.5 . . ?
C224 C225 C226 120.9(17) . . ?
C226 C225 H225 119.5 . . ?
C221 C226 C225 119.0(14) . . ?
C221 C226 H226 120.5 . . ?
C225 C226 H226 120.5 . . ?
C232 C231 P11 116.4(10) . . ?
C236 C231 P11 123.2(11) . . ?
C236 C231 C232 120.3(14) . . ?
C231 C232 H232 119.9 . . ?
C231 C232 C233 120.2(15) . . ?
C233 C232 H232 119.9 . . ?
C232 C233 H233 121.2 . . ?
C234 C233 C232 117.5(15) . . ?
C234 C233 H233 121.2 . . ?
C233 C234 H234 118.7 . . ?
C235 C234 C233 122.6(15) . . ?
C235 C234 H234 118.7 . . ?
C234 C235 H235 120.7 . . ?
C234 C235 C236 118.6(15) . . ?
C236 C235 H235 120.7 . . ?
C231 C236 C235 120.8(14) . . ?
C231 C236 H236 119.6 . . ?
C235 C236 H236 119.6 . . ?
C312 C311 P12 116.5(11) . . ?
C316 C311 P12 124.2(12) . . ?
C316 C311 C312 119.3(14) . . ?
C311 C312 H312 119.9 . . ?
C313 C312 C311 120.2(15) . . ?
C313 C312 H312 119.9 . . ?
C312 C313 H313 119.6 . . ?
C312 C313 C314 120.8(16) . . ?
C314 C313 H313 119.6 . . ?
C313 C314 H314 121.0 . . ?
C313 C314 C315 118.1(15) . . ?
C315 C314 H314 121.0 . . ?
C314 C315 H315 119.5 . . ?
C316 C315 C314 121.0(16) . . ?
C316 C315 H315 119.5 . . ?
C311 C316 H316 119.8 . . ?
C315 C316 C311 120.3(15) . . ?
C315 C316 H316 119.8 . . ?
C322 C321 P12 117.4(11) . . ?
C326 C321 P12 123.1(11) . . ?
C326 C321 C322 119.5(15) . . ?
C321 C322 H322 121.0 . . ?
C323 C322 C321 118.1(16) . . ?
C323 C322 H322 121.0 . . ?
C322 C323 H323 118.6 . . ?
C324 C323 C322 122.8(18) . . ?
C324 C323 H323 118.6 . . ?
C323 C324 H324 120.5 . . ?
C323 C324 C325 119.0(16) . . ?
C325 C324 H324 120.5 . . ?
C324 C325 H325 120.5 . . ?
C326 C325 C324 119.1(17) . . ?
C326 C325 H325 120.5 . . ?
C321 C326 C325 121.5(15) . . ?
C321 C326 H326 119.3 . . ?
C325 C326 H326 119.3 . . ?
C332 C331 P12 117.7(10) . . ?
C336 C331 P12 125.3(11) . . ?
C336 C331 C332 117.0(13) . . ?
C331 C332 H332 120.1 . . ?
C333 C332 C331 119.7(16) . . ?
C333 C332 H332 120.1 . . ?
C332 C333 H333 119.8 . . ?
C334 C333 C332 120.4(17) . . ?
C334 C333 H333 119.8 . . ?
C333 C334 H334 120.3 . . ?
C335 C334 C333 119.4(16) . . ?
C335 C334 H334 120.3 . . ?
C334 C335 H335 119.2 . . ?
C334 C335 C336 121.6(17) . . ?
C336 C335 H335 119.2 . . ?
C331 C336 C335 121.7(16) . . ?
C331 C336 H336 119.1 . . ?
C335 C336 H336 119.1 . . ?
C412 C411 P4 120.6(11) . . ?
C412 C411 C416 117.7(14) . . ?
C416 C411 P4 121.6(13) . . ?
C411 C412 H412 118.8 . . ?
C413 C412 C411 122.4(15) . . ?
C413 C412 H412 118.8 . . ?
C412 C413 H413 120.1 . . ?
C412 C413 C414 120(2) . . ?
C414 C413 H413 120.1 . . ?
C413 C414 H414 119.9 . . ?
C413 C414 C415 120(2) . . ?
C415 C414 H414 119.9 . . ?
C414 C415 H415 120.0 . . ?
C416 C415 C414 120.0(18) . . ?
C416 C415 H415 120.0 . . ?
C411 C416 H416 120.1 . . ?
C415 C416 C411 120(2) . . ?
C415 C416 H416 120.1 . . ?
C422 C421 P4 123.0(14) . . ?
C426 C421 P4 120.7(14) . . ?
C426 C421 C422 116.3(16) . . ?
C421 C422 H422 119.7 . . ?
C421 C422 C423 121(2) . . ?
C423 C422 H422 119.7 . . ?
C422 C423 H423 121.1 . . ?
C424 C423 C422 118(2) . . ?
C424 C423 H423 121.1 . . ?
C423 C424 H424 119.2 . . ?
C425 C424 C423 122(2) . . ?
C425 C424 H424 119.2 . . ?
C424 C425 H425 119.7 . . ?
C424 C425 C426 121(2) . . ?
C426 C425 H425 119.7 . . ?
C421 C426 C425 123(2) . . ?
C421 C426 H426 118.6 . . ?
C425 C426 H426 118.6 . . ?
C432 C431 P4 121.0(15) . . ?
C436 C431 P4 116.3(10) . . ?
C436 C431 C432 122.6(17) . . ?
C431 C432 H432 122.4 . . ?
C433 C432 C431 115(2) . . ?
C433 C432 H432 122.4 . . ?
C432 C433 H433 117.8 . . ?
C434 C433 C432 124(2) . . ?
C434 C433 H433 117.8 . . ?
C433 C434 H434 120.6 . . ?
C433 C434 C435 119(2) . . ?
C435 C434 H434 120.6 . . ?
C434 C435 H435 120.4 . . ?
C434 C435 C436 119(2) . . ?
C436 C435 H435 120.4 . . ?
C431 C436 C435 119.3(16) . . ?
C431 C436 H436 120.3 . . ?
C435 C436 H436 120.3 . . ?
C512 C511 P5 118.9(9) . . ?
C516 C511 P5 123.3(10) . . ?
C516 C511 C512 117.8(11) . . ?
C511 C512 H512 118.9 . . ?
C511 C512 C513 122.1(12) . . ?
C513 C512 H512 118.9 . . ?
C512 C513 H513 120.3 . . ?
C514 C513 C512 119.5(13) . . ?
C514 C513 H513 120.3 . . ?
C513 C514 H514 120.2 . . ?
C515 C514 C513 119.6(13) . . ?
C515 C514 H514 120.2 . . ?
C514 C515 H515 119.8 . . ?
C514 C515 C516 120.4(14) . . ?
C516 C515 H515 119.8 . . ?
C511 C516 C515 120.5(14) . . ?
C511 C516 H516 119.7 . . ?
C515 C516 H516 119.7 . . ?
C522 C521 P5 118.5(10) . . ?
C526 C521 P5 123.0(10) . . ?
C526 C521 C522 118.5(12) . . ?
C521 C522 H522 119.6 . . ?
C523 C522 C521 120.8(13) . . ?
C523 C522 H522 119.6 . . ?
C522 C523 H523 119.9 . . ?
C524 C523 C522 120.2(13) . . ?
C524 C523 H523 119.9 . . ?
C523 C524 H524 120.3 . . ?
C523 C524 C525 119.3(12) . . ?
C525 C524 H524 120.3 . . ?
C524 C525 H525 119.6 . . ?
C526 C525 C524 120.7(14) . . ?
C526 C525 H525 119.6 . . ?
C521 C526 C525 120.4(13) . . ?
C521 C526 H526 119.8 . . ?
C525 C526 H526 119.8 . . ?
C532 C531 P5 123.6(10) . . ?
C532 C531 C536 118.1(12) . . ?
C536 C531 P5 118.3(9) . . ?
C531 C532 H532 119.0 . . ?
C531 C532 C533 121.9(13) . . ?
C533 C532 H532 119.0 . . ?
C532 C533 H533 119.9 . . ?
C534 C533 C532 120.2(13) . . ?
C534 C533 H533 119.9 . . ?
C533 C534 H534 120.6 . . ?
C533 C534 C535 118.9(12) . . ?
C535 C534 H534 120.6 . . ?
C534 C535 H535 119.2 . . ?
C536 C535 C534 121.6(12) . . ?
C536 C535 H535 119.2 . . ?
C531 C536 H536 120.4 . . ?
C535 C536 C531 119.1(12) . . ?
C535 C536 H536 120.4 . . ?
C612 C611 P6 120.4(11) . . ?
C612 C611 C616 119.1(13) . . ?
C616 C611 P6 120.5(12) . . ?
C611 C612 H612 118.7 . . ?
C611 C612 C613 122.5(16) . . ?
C613 C612 H612 118.7 . . ?
C612 C613 H613 120.9 . . ?
C614 C613 C612 118.1(19) . . ?
C614 C613 H613 120.9 . . ?
C613 C614 H614 119.2 . . ?
C613 C614 C615 121.7(15) . . ?
C615 C614 H614 119.2 . . ?
C614 C615 H615 121.2 . . ?
C614 C615 C616 117.6(17) . . ?
C616 C615 H615 121.2 . . ?
C611 C616 C615 121.0(17) . . ?
C611 C616 H616 119.5 . . ?
C615 C616 H616 119.5 . . ?
C622 C621 P6 117.6(12) . . ?
C622 C621 C626 118.1(15) . . ?
C626 C621 P6 124.0(11) . . ?
C621 C622 H622 120.4 . . ?
C623 C622 C621 119.1(17) . . ?
C623 C622 H622 120.4 . . ?
C622 C623 H623 118.1 . . ?
C624 C623 C622 123.8(17) . . ?
C624 C623 H623 118.1 . . ?
C623 C624 H624 120.7 . . ?
C623 C624 C625 118.5(17) . . ?
C625 C624 H624 120.7 . . ?
C624 C625 H625 121.0 . . ?
C626 C625 C624 117.9(16) . . ?
C626 C625 H625 121.0 . . ?
C621 C626 H626 118.8 . . ?
C625 C626 C621 122.4(15) . . ?
C625 C626 H626 118.8 . . ?
C632 C631 P6 118.0(10) . . ?
C636 C631 P6 124.1(11) . . ?
C636 C631 C632 117.9(13) . . ?
C631 C632 H632 119.9 . . ?
C631 C632 C633 120.3(14) . . ?
C633 C632 H632 119.9 . . ?
C632 C633 H633 119.5 . . ?
C634 C633 C632 121.0(16) . . ?
C634 C633 H633 119.5 . . ?
C633 C634 H634 120.8 . . ?
C633 C634 C635 118.3(15) . . ?
C635 C634 H634 120.8 . . ?
C634 C635 H635 119.3 . . ?
C634 C635 C636 121.4(15) . . ?
C636 C635 H635 119.3 . . ?
C631 C636 C635 120.9(15) . . ?
C631 C636 H636 119.6 . . ?
C635 C636 H636 119.6 . . ?
C712 C711 P7 117.6(10) . . ?
C716 C711 P7 124.5(12) . . ?
C716 C711 C712 117.6(13) . . ?
C711 C712 H712 120.4 . . ?
C713 C712 C711 119.1(15) . . ?
C713 C712 H712 120.4 . . ?
C712 C713 H713 119.0 . . ?
C712 C713 C714 122.0(18) . . ?
C714 C713 H713 119.0 . . ?
C713 C714 H714 120.5 . . ?
C715 C714 C713 119.0(16) . . ?
C715 C714 H714 120.5 . . ?
C714 C715 H715 119.3 . . ?
C714 C715 C716 121.5(17) . . ?
C716 C715 H715 119.3 . . ?
C711 C716 C715 120.7(17) . . ?
C711 C716 H716 119.6 . . ?
C715 C716 H716 119.6 . . ?
C722 C721 P7 121.5(11) . . ?
C722 C721 C726 118.5(13) . . ?
C726 C721 P7 119.6(10) . . ?
C721 C722 H722 119.7 . . ?
C721 C722 C723 120.6(14) . . ?
C723 C722 H722 119.7 . . ?
C722 C723 H723 120.4 . . ?
C724 C723 C722 119.2(14) . . ?
C724 C723 H723 120.4 . . ?
C723 C724 H724 120.2 . . ?
C725 C724 C723 119.7(14) . . ?
C725 C724 H724 120.2 . . ?
C724 C725 H725 119.2 . . ?
C726 C725 C724 121.6(15) . . ?
C726 C725 H725 119.2 . . ?
C721 C726 H726 119.9 . . ?
C725 C726 C721 120.3(14) . . ?
C725 C726 H726 119.9 . . ?
C732 C731 P7 121.8(11) . . ?
C736 C731 P7 119.8(10) . . ?
C736 C731 C732 118.1(13) . . ?
C731 C732 H732 119.4 . . ?
C733 C732 C731 121.2(14) . . ?
C733 C732 H732 119.4 . . ?
C732 C733 H733 120.3 . . ?
C732 C733 C734 119.3(13) . . ?
C734 C733 H733 120.3 . . ?
C733 C734 H734 121.0 . . ?
C735 C734 C733 118.0(13) . . ?
C735 C734 H734 121.0 . . ?
C734 C735 H735 119.4 . . ?
C734 C735 C736 121.3(14) . . ?
C736 C735 H735 119.4 . . ?
C731 C736 C735 122.0(13) . . ?
C731 C736 H736 119.0 . . ?
C735 C736 H736 119.0 . . ?
C812 C811 P8 117.7(10) . . ?
C812 C811 C816 121.7(14) . . ?
C816 C811 P8 120.7(12) . . ?
C811 C812 H812 119.6 . . ?
C811 C812 C813 120.8(15) . . ?
C813 C812 H812 119.6 . . ?
C812 C813 H813 121.3 . . ?
C814 C813 C812 117.3(18) . . ?
C814 C813 H813 121.3 . . ?
C813 C814 H814 119.0 . . ?
C815 C814 C813 122.0(16) . . ?
C815 C814 H814 119.0 . . ?
C814 C815 H815 118.7 . . ?
C814 C815 C816 122.5(16) . . ?
C816 C815 H815 118.7 . . ?
C811 C816 C815 115.3(18) . . ?
C811 C816 H816 122.4 . . ?
C815 C816 H816 122.4 . . ?
C822 C821 P8 121.0(11) . . ?
C826 C821 P8 118.2(10) . . ?
C826 C821 C822 120.6(14) . . ?
C821 C822 H822 121.0 . . ?
C821 C822 C823 118.1(16) . . ?
C823 C822 H822 121.0 . . ?
C822 C823 H823 118.9 . . ?
C824 C823 C822 122.1(16) . . ?
C824 C823 H823 118.9 . . ?
C823 C824 H824 120.0 . . ?
C823 C824 C825 120.1(16) . . ?
C825 C824 H824 120.0 . . ?
C824 C825 H825 120.9 . . ?
C824 C825 C826 118.2(17) . . ?
C826 C825 H825 120.9 . . ?
C821 C826 C825 120.8(15) . . ?
C821 C826 H826 119.6 . . ?
C825 C826 H826 119.6 . . ?
C832 C831 P8 122.7(10) . . ?
C832 C831 C836 119.3(12) . . ?
C836 C831 P8 118.0(11) . . ?
C831 C832 H832 119.4 . . ?
C833 C832 C831 121.1(15) . . ?
C833 C832 H832 119.4 . . ?
C832 C833 H833 119.5 . . ?
C832 C833 C834 121.0(17) . . ?
C834 C833 H833 119.5 . . ?
C833 C834 H834 120.9 . . ?
C835 C834 C833 118.2(16) . . ?
C835 C834 H834 120.9 . . ?
C834 C835 H835 119.5 . . ?
C834 C835 C836 121.0(16) . . ?
C836 C835 H835 119.5 . . ?
C831 C836 C835 119.3(15) . . ?
C831 C836 H836 120.3 . . ?
C835 C836 H836 120.3 . . ?
C912 C911 P9 120.1(11) . . ?
C912 C911 C916 118.1(13) . . ?
C916 C911 P9 121.6(11) . . ?
C911 C912 H912 120.2 . . ?
C913 C912 C911 119.6(15) . . ?
C913 C912 H912 120.2 . . ?
C912 C913 H913 118.7 . . ?
C912 C913 C914 122.5(16) . . ?
C914 C913 H913 118.7 . . ?
C913 C914 H914 121.5 . . ?
C915 C914 C913 117.0(16) . . ?
C915 C914 H914 121.5 . . ?
C914 C915 H915 118.2 . . ?
C914 C915 C916 123.5(19) . . ?
C916 C915 H915 118.2 . . ?
C911 C916 H916 120.5 . . ?
C915 C916 C911 119.1(15) . . ?
C915 C916 H916 120.5 . . ?
C922 C921 P9 120.6(10) . . ?
C922 C921 C926 119.4(14) . . ?
C926 C921 P9 120.0(11) . . ?
C921 C922 H922 120.2 . . ?
C923 C922 C921 119.6(14) . . ?
C923 C922 H922 120.2 . . ?
C922 C923 H923 119.0 . . ?
C924 C923 C922 122.1(15) . . ?
C924 C923 H923 119.0 . . ?
C923 C924 H924 119.9 . . ?
C923 C924 C925 120.2(15) . . ?
C925 C924 H924 119.9 . . ?
C924 C925 H925 120.1 . . ?
C924 C925 C926 119.7(16) . . ?
C926 C925 H925 120.1 . . ?
C921 C926 C925 118.9(16) . . ?
C921 C926 H926 120.5 . . ?
C925 C926 H926 120.5 . . ?
C932 C931 P9 122.3(12) . . ?
C932 C931 C936 118.9(13) . . ?
C936 C931 P9 118.8(9) . . ?
C931 C932 H932 119.2 . . ?
C931 C932 C933 121.6(17) . . ?
C933 C932 H932 119.2 . . ?
C932 C933 H933 121.1 . . ?
C932 C933 C934 117.8(15) . . ?
C934 C933 H933 121.1 . . ?
C933 C934 H934 119.9 . . ?
C935 C934 C933 120.2(16) . . ?
C935 C934 H934 119.9 . . ?
C934 C935 H935 118.8 . . ?
C934 C935 C936 122.3(18) . . ?
C936 C935 H935 118.8 . . ?
C931 C936 H936 120.5 . . ?
C935 C936 C931 119.0(14) . . ?
C935 C936 H936 120.5 . . ?
F1 P13 F4 90.5(10) . . ?
F2 P13 F1 176.4(11) . . ?
F2 P13 F4 87.8(9) . . ?
F3 P13 F1 92.1(12) . . ?
F3 P13 F2 89.5(12) . . ?
F3 P13 F4 177.3(13) . . ?
F3 P13 F6 94.0(13) . . ?
F5 P13 F1 92.2(11) . . ?
F5 P13 F2 91.0(10) . . ?
F5 P13 F3 89.5(13) . . ?
F5 P13 F4 91.3(11) . . ?
F5 P13 F6 176.5(12) . . ?
F6 P13 F1 87.5(10) . . ?
F6 P13 F2 89.2(9) . . ?
F6 P13 F4 85.2(10) . . ?
F8 P14 F7 173.7(18) . . ?
F8 P14 F9 94.5(16) . . ?
F8 P14 F10 96.7(17) . . ?
F8 P14 F11 101.8(18) . . ?
F8 P14 F12 85.6(15) . . ?
F9 P14 F7 81.6(14) . . ?
F10 P14 F7 86.7(14) . . ?
F10 P14 F9 167.3(16) . . ?
F10 P14 F12 88.4(15) . . ?
F11 P14 F7 83.2(16) . . ?
F11 P14 F9 89.6(16) . . ?
F11 P14 F10 94.0(17) . . ?
F11 P14 F12 171.9(18) . . ?
F12 P14 F7 89.2(14) . . ?
F12 P14 F9 86.5(14) . . ?
F13 P15 F13 180.0 . 3_566 ?
F14 P15 F13 90.9(11) 3_566 . ?
F14 P15 F13 90.9(11) . 3_566 ?
F14 P15 F13 89.1(11) . . ?
F14 P15 F13 89.1(11) 3_566 3_566 ?
F14 P15 F14 180.0 3_566 . ?
F15 P15 F13 84.3(10) 3_566 . ?
F15 P15 F13 84.3(10) . 3_566 ?
F15 P15 F13 95.7(10) . . ?
F15 P15 F13 95.7(10) 3_566 3_566 ?
F15 P15 F14 87.2(11) 3_566 . ?
F15 P15 F14 87.2(11) . 3_566 ?
F15 P15 F14 92.8(11) 3_566 3_566 ?
F15 P15 F14 92.8(11) . . ?
F15 P15 F15 180.0 3_566 . ?
O2G C2S O32 121(3) . . ?
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 3.0029(7) . ?
Au1 Au3 2.8704(7) . ?
Au1 Au4 2.9767(7) . ?
Au1 Au6 3.0387(7) . ?
Au1 Au9 2.6591(6) . ?
Au1 P1 2.281(3) . ?
Au2 Au5 3.0591(7) . ?
Au2 Au7 2.9874(7) . ?
Au2 Au9 2.6337(6) . ?
Au2 P2 2.289(3) . ?
Au3 Au4 3.1221(7) . ?
Au3 Au5 2.9090(6) . ?
Au3 Au8 2.8380(6) . ?
Au3 Au9 2.7125(6) . ?
Au3 P3 2.300(3) . ?
Au4 Au6 2.9745(7) . ?
Au4 Au8 3.0439(7) . ?
Au4 Au9 2.7098(6) . ?
Au4 Au11 3.0138(7) . ?
Au4 P4 2.309(3) . ?
Au5 Au8 3.2847(7) . ?
Au5 Au9 2.6853(6) . ?
Au5 Au10 2.8338(6) . ?
Au5 P5 2.302(3) . ?
Au6 Au7 2.8866(7) . ?
Au6 Au9 2.6589(6) . ?
Au6 Au11 3.0061(7) . ?
Au6 P6 2.292(3) . ?
Au7 Au9 2.7127(6) . ?
Au7 Au10 2.8131(7) . ?
Au7 Au11 3.2066(7) . ?
Au7 P7 2.296(3) . ?
Au8 Au9 2.6822(6) . ?
Au8 Au10 2.9302(7) . ?
Au8 Au11 2.9109(7) . ?
Au8 Au13 2.6614(6) . ?
Au9 Au10 2.7284(6) . ?
Au9 Au11 2.7293(6) . ?
Au10 Au11 2.9211(7) . ?
Au10 Au14 2.6659(6) . ?
Au11 Au12 3.1920(7) . ?
Au11 S1 2.388(3) . ?
Au12 Au13 2.8065(6) . ?
Au12 Au14 2.7847(6) . ?
Au12 Au16 2.8919(7) . ?
Au12 Au17 2.7857(6) . ?
Au12 Au18 2.8841(7) . ?
Au12 S1 2.383(3) . ?
Au13 Au17 2.7390(6) . ?
Au13 Au18 2.6990(6) . ?
Au13 Au19 2.8662(6) . ?
Au14 Au15 2.8409(6) . ?
Au14 Au16 2.7281(6) . ?
Au14 Au17 2.7052(6) . ?
Au15 Au16 2.8722(7) . ?
Au15 Au17 2.6807(6) . ?
Au15 Au20 2.8099(7) . ?
Au15 P9 2.297(3) . ?
Au16 Au17 2.7104(6) . ?
Au16 P8 2.289(3) . ?
Au17 Au18 2.7008(7) . ?
Au17 Au19 2.6469(6) . ?
Au17 Au20 2.6400(6) . ?
Au18 Au19 2.8967(7) . ?
Au18 P11 2.265(3) . ?
Au19 Au20 2.8534(7) . ?
Au19 P10 2.290(3) . ?
Au20 P12 2.294(3) . ?
S1 C11 1.799(12) . ?
P1 C1O 1.794(13) . ?
P1 C8 1.807(13) . ?
P1 C27 1.837(13) . ?
P2 C1B 1.834(13) . ?
P2 C1H 1.839(13) . ?
P2 C1P 1.821(14) . ?
P3 C1V 1.815(13) . ?
P3 C21 1.820(11) . ?
P3 C28 1.808(13) . ?
P4 C411 1.804(14) . ?
P4 C421 1.805(14) . ?
P4 C431 1.846(18) . ?
P5 C511 1.817(12) . ?
P5 C521 1.812(13) . ?
P5 C531 1.807(12) . ?
P6 C611 1.823(14) . ?
P6 C621 1.815(15) . ?
P6 C631 1.815(14) . ?
P7 C711 1.818(13) . ?
P7 C721 1.832(13) . ?
P7 C731 1.846(13) . ?
P8 C811 1.822(13) . ?
P8 C821 1.828(14) . ?
P8 C831 1.824(13) . ?
P9 C911 1.822(14) . ?
P9 C921 1.810(14) . ?
P9 C931 1.820(14) . ?
P10 C111 1.796(13) . ?
P10 C121 1.816(13) . ?
P10 C131 1.787(12) . ?
P11 C211 1.802(14) . ?
P11 C221 1.817(13) . ?
P11 C231 1.843(14) . ?
P12 C311 1.815(15) . ?
P12 C321 1.819(15) . ?
P12 C331 1.811(13) . ?
O1 C17 1.14(2) . ?
O2 H2 0.8200 . ?
O2 C17 1.235(19) . ?
C1 H1 0.9300 . ?
C1 C1O 1.407(19) . ?
C1 C2B 1.38(2) . ?
C1A H1A 0.9300 . ?
C1A C8 1.40(2) . ?
C1A C19 1.38(2) . ?
C1B C1C 1.38(2) . ?
C1B C1G 1.37(2) . ?
C1C H1C 0.9300 . ?
C1C C1D 1.33(2) . ?
C1D H1D 0.9300 . ?
C1D C1E 1.36(3) . ?
C1E H1E 0.9300 . ?
C1E C1F 1.40(3) . ?
C1F H1F 0.9300 . ?
C1F C1G 1.37(2) . ?
C1G H1G 0.9300 . ?
C1H C1I 1.373(17) . ?
C1H C1N 1.384(19) . ?
C1I H1I 0.9300 . ?
C1I C1K 1.389(18) . ?
C1J H1J 0.9300 . ?
C1J C2C 1.36(2) . ?
C1J C5 1.37(2) . ?
C1K H1K 0.9300 . ?
C1K C1L 1.39(2) . ?
C1L H1L 0.9300 . ?
C1L C1M 1.38(2) . ?
C1M H1M 0.9300 . ?
C1M C1N 1.362(18) . ?
C1N H1N 0.9300 . ?
C1O C4 1.42(2) . ?
C1P C1Q 1.356(18) . ?
C1P C1U 1.384(19) . ?
C1Q H1Q 0.9300 . ?
C1Q C1R 1.401(19) . ?
C1R H1R 0.9300 . ?
C1R C1S 1.361(19) . ?
C1S H1S 0.9300 . ?
C1S C1T 1.40(2) . ?
C1T H1T 0.9300 . ?
C1T C1U 1.37(2) . ?
C1U H1U 0.9300 . ?
C1V C1W 1.392(17) . ?
C1V C20 1.401(17) . ?
C1W H1W 0.9300 . ?
C1W C1X 1.387(18) . ?
C1X H1X 0.9300 . ?
C1X C1Y 1.399(19) . ?
C1Y H1Y 0.9300 . ?
C1Y C1Z 1.36(2) . ?
C1Z H1Z 0.9300 . ?
C1Z C20 1.39(2) . ?
C2 H2A 0.9300 . ?
C2 C2B 1.38(2) . ?
C2 C3 1.37(2) . ?
C2A H2AA 0.9300 . ?
C2A C2D 1.37(2) . ?
C2A C29 1.38(2) . ?
C2B H2B 0.9300 . ?
C2C H2C 0.9300 . ?
C2C C27 1.391(18) . ?
C2D H2D 0.9300 . ?
C2D C2E 1.44(2) . ?
C2E H2E 0.9300 . ?
C2E C2F 1.399(19) . ?
C2F H2F 0.9300 . ?
C2F C28 1.392(19) . ?
C3 H3 0.9300 . ?
C3 C4 1.37(2) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C5 C6 1.37(2) . ?
C6 H6 0.9300 . ?
C6 C7 1.39(2) . ?
C7 H7 0.9300 . ?
C7 C27 1.37(2) . ?
C8 C9 1.41(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.42(2) . ?
C10 H10 0.9300 . ?
C10 C18 1.32(3) . ?
C11 C12 1.375(18) . ?
C11 C16 1.409(18) . ?
C12 H12 0.9300 . ?
C12 C13 1.404(19) . ?
C13 H13 0.9300 . ?
C13 C14 1.38(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.35(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.41(2) . ?
C16 C17 1.49(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.36(3) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.382(18) . ?
C21 C26 1.390(19) . ?
C22 H22 0.9300 . ?
C22 C23 1.39(2) . ?
C23 H23 0.9300 . ?
C23 C24 1.39(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.35(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.40(2) . ?
C26 H26 0.9300 . ?
C28 C29 1.365(19) . ?
C29 H29 0.9300 . ?
C111 C112 1.395(19) . ?
C111 C116 1.398(19) . ?
C112 H112 0.9300 . ?
C112 C113 1.37(2) . ?
C113 H113 0.9300 . ?
C113 C114 1.40(2) . ?
C114 H114 0.9300 . ?
C114 C115 1.35(2) . ?
C115 H115 0.9300 . ?
C115 C116 1.38(2) . ?
C116 H116 0.9300 . ?
C121 C122 1.411(19) . ?
C121 C126 1.360(19) . ?
C122 H122 0.9300 . ?
C122 C123 1.39(2) . ?
C123 H123 0.9300 . ?
C123 C124 1.35(2) . ?
C124 H124 0.9300 . ?
C124 C125 1.35(2) . ?
C125 H125 0.9300 . ?
C125 C126 1.41(2) . ?
C126 H126 0.9300 . ?
C131 C132 1.396(18) . ?
C131 C136 1.400(17) . ?
C132 H132 0.9300 . ?
C132 C133 1.36(2) . ?
C133 H133 0.9300 . ?
C133 C134 1.40(2) . ?
C134 H134 0.9300 . ?
C134 C135 1.39(2) . ?
C135 H135 0.9300 . ?
C135 C136 1.38(2) . ?
C136 H136 0.9300 . ?
C211 C212 1.389(19) . ?
C211 C216 1.384(18) . ?
C212 H212 0.9300 . ?
C212 C213 1.40(2) . ?
C213 H213 0.9300 . ?
C213 C214 1.38(2) . ?
C214 H214 0.9300 . ?
C214 C215 1.41(2) . ?
C215 H215 0.9300 . ?
C215 C216 1.37(2) . ?
C216 H216 0.9300 . ?
C221 C222 1.375(19) . ?
C221 C226 1.39(2) . ?
C222 H222 0.9300 . ?
C222 C223 1.399(19) . ?
C223 H223 0.9300 . ?
C223 C224 1.40(2) . ?
C224 H224 0.9300 . ?
C224 C225 1.35(2) . ?
C225 H225 0.9300 . ?
C225 C226 1.41(2) . ?
C226 H226 0.9300 . ?
C231 C232 1.361(19) . ?
C231 C236 1.351(19) . ?
C232 H232 0.9300 . ?
C232 C233 1.41(2) . ?
C233 H233 0.9300 . ?
C233 C234 1.38(2) . ?
C234 H234 0.9300 . ?
C234 C235 1.34(2) . ?
C235 H235 0.9300 . ?
C235 C236 1.40(2) . ?
C236 H236 0.9300 . ?
C311 C312 1.40(2) . ?
C311 C316 1.37(2) . ?
C312 H312 0.9300 . ?
C312 C313 1.38(2) . ?
C313 H313 0.9300 . ?
C313 C314 1.39(3) . ?
C314 H314 0.9300 . ?
C314 C315 1.41(3) . ?
C315 H315 0.9300 . ?
C315 C316 1.37(2) . ?
C316 H316 0.9300 . ?
C321 C322 1.43(2) . ?
C321 C326 1.35(2) . ?
C322 H322 0.9300 . ?
C322 C323 1.36(3) . ?
C323 H323 0.9300 . ?
C323 C324 1.36(3) . ?
C324 H324 0.9300 . ?
C324 C325 1.40(3) . ?
C325 H325 0.9300 . ?
C325 C326 1.39(2) . ?
C326 H326 0.9300 . ?
C331 C332 1.41(2) . ?
C331 C336 1.373(19) . ?
C332 H332 0.9300 . ?
C332 C333 1.39(2) . ?
C333 H333 0.9300 . ?
C333 C334 1.38(3) . ?
C334 H334 0.9300 . ?
C334 C335 1.32(3) . ?
C335 H335 0.9300 . ?
C335 C336 1.37(2) . ?
C336 H336 0.9300 . ?
C411 C412 1.39(2) . ?
C411 C416 1.42(2) . ?
C412 H412 0.9300 . ?
C412 C413 1.36(2) . ?
C413 H413 0.9300 . ?
C413 C414 1.37(3) . ?
C414 H414 0.9300 . ?
C414 C415 1.40(3) . ?
C415 H415 0.9300 . ?
C415 C416 1.38(3) . ?
C416 H416 0.9300 . ?
C421 C422 1.41(3) . ?
C421 C426 1.34(2) . ?
C422 H422 0.9300 . ?
C422 C423 1.44(3) . ?
C423 H423 0.9300 . ?
C423 C424 1.37(4) . ?
C424 H424 0.9300 . ?
C424 C425 1.31(4) . ?
C425 H425 0.9300 . ?
C425 C426 1.41(3) . ?
C426 H426 0.9300 . ?
C431 C432 1.39(2) . ?
C431 C436 1.36(2) . ?
C432 H432 0.9300 . ?
C432 C433 1.37(3) . ?
C433 H433 0.9300 . ?
C433 C434 1.35(4) . ?
C434 H434 0.9300 . ?
C434 C435 1.37(3) . ?
C435 H435 0.9300 . ?
C435 C436 1.40(2) . ?
C436 H436 0.9300 . ?
C511 C512 1.380(18) . ?
C511 C516 1.365(18) . ?
C512 H512 0.9300 . ?
C512 C513 1.387(18) . ?
C513 H513 0.9300 . ?
C513 C514 1.37(2) . ?
C514 H514 0.9300 . ?
C514 C515 1.36(2) . ?
C515 H515 0.9300 . ?
C515 C516 1.418(19) . ?
C516 H516 0.9300 . ?
C521 C522 1.402(18) . ?
C521 C526 1.366(19) . ?
C522 H522 0.9300 . ?
C522 C523 1.368(18) . ?
C523 H523 0.9300 . ?
C523 C524 1.36(2) . ?
C524 H524 0.9300 . ?
C524 C525 1.38(2) . ?
C525 H525 0.9300 . ?
C525 C526 1.374(19) . ?
C526 H526 0.9300 . ?
C531 C532 1.373(17) . ?
C531 C536 1.410(17) . ?
C532 H532 0.9300 . ?
C532 C533 1.378(19) . ?
C533 H533 0.9300 . ?
C533 C534 1.35(2) . ?
C534 H534 0.9300 . ?
C534 C535 1.40(2) . ?
C535 H535 0.9300 . ?
C535 C536 1.366(17) . ?
C536 H536 0.9300 . ?
C611 C612 1.35(2) . ?
C611 C616 1.38(2) . ?
C612 H612 0.9300 . ?
C612 C613 1.38(2) . ?
C613 H613 0.9300 . ?
C613 C614 1.38(3) . ?
C614 H614 0.9300 . ?
C614 C615 1.39(3) . ?
C615 H615 0.9300 . ?
C615 C616 1.41(2) . ?
C616 H616 0.9300 . ?
C621 C622 1.38(2) . ?
C621 C626 1.39(2) . ?
C622 H622 0.9300 . ?
C622 C623 1.36(3) . ?
C623 H623 0.9300 . ?
C623 C624 1.35(3) . ?
C624 H624 0.9300 . ?
C624 C625 1.41(3) . ?
C625 H625 0.9300 . ?
C625 C626 1.38(2) . ?
C626 H626 0.9300 . ?
C631 C632 1.36(2) . ?
C631 C636 1.356(19) . ?
C632 H632 0.9300 . ?
C632 C633 1.41(2) . ?
C633 H633 0.9300 . ?
C633 C634 1.32(2) . ?
C634 H634 0.9300 . ?
C634 C635 1.36(2) . ?
C635 H635 0.9300 . ?
C635 C636 1.38(2) . ?
C636 H636 0.9300 . ?
C711 C712 1.43(2) . ?
C711 C716 1.36(2) . ?
C712 H712 0.9300 . ?
C712 C713 1.36(2) . ?
C713 H713 0.9300 . ?
C713 C714 1.36(3) . ?
C714 H714 0.9300 . ?
C714 C715 1.33(2) . ?
C715 H715 0.9300 . ?
C715 C716 1.39(2) . ?
C716 H716 0.9300 . ?
C721 C722 1.376(18) . ?
C721 C726 1.419(19) . ?
C722 H722 0.9300 . ?
C722 C723 1.39(2) . ?
C723 H723 0.9300 . ?
C723 C724 1.39(3) . ?
C724 H724 0.9300 . ?
C724 C725 1.38(2) . ?
C725 H725 0.9300 . ?
C725 C726 1.34(2) . ?
C726 H726 0.9300 . ?
C731 C732 1.390(19) . ?
C731 C736 1.33(2) . ?
C732 H732 0.9300 . ?
C732 C733 1.37(2) . ?
C733 H733 0.9300 . ?
C733 C734 1.42(2) . ?
C734 H734 0.9300 . ?
C734 C735 1.34(2) . ?
C735 H735 0.9300 . ?
C735 C736 1.38(2) . ?
C736 H736 0.9300 . ?
C811 C812 1.38(2) . ?
C811 C816 1.407(18) . ?
C812 H812 0.9300 . ?
C812 C813 1.40(2) . ?
C813 H813 0.9300 . ?
C813 C814 1.39(3) . ?
C814 H814 0.9300 . ?
C814 C815 1.34(3) . ?
C815 H815 0.9300 . ?
C815 C816 1.42(3) . ?
C816 H816 0.9300 . ?
C821 C822 1.389(19) . ?
C821 C826 1.37(2) . ?
C822 H822 0.9300 . ?
C822 C823 1.39(2) . ?
C823 H823 0.9300 . ?
C823 C824 1.36(3) . ?
C824 H824 0.9300 . ?
C824 C825 1.40(3) . ?
C825 H825 0.9300 . ?
C825 C826 1.41(2) . ?
C826 H826 0.9300 . ?
C831 C832 1.38(2) . ?
C831 C836 1.383(19) . ?
C832 H832 0.9300 . ?
C832 C833 1.36(2) . ?
C833 H833 0.9300 . ?
C833 C834 1.39(2) . ?
C834 H834 0.9300 . ?
C834 C835 1.38(3) . ?
C835 H835 0.9300 . ?
C835 C836 1.40(2) . ?
C836 H836 0.9300 . ?
C911 C912 1.39(2) . ?
C911 C916 1.39(2) . ?
C912 H912 0.9300 . ?
C912 C913 1.34(2) . ?
C913 H913 0.9300 . ?
C913 C914 1.38(2) . ?
C914 H914 0.9300 . ?
C914 C915 1.33(3) . ?
C915 H915 0.9300 . ?
C915 C916 1.36(2) . ?
C916 H916 0.9300 . ?
C921 C922 1.401(19) . ?
C921 C926 1.40(2) . ?
C922 H922 0.9300 . ?
C922 C923 1.38(2) . ?
C923 H923 0.9300 . ?
C923 C924 1.36(2) . ?
C924 H924 0.9300 . ?
C924 C925 1.37(3) . ?
C925 H925 0.9300 . ?
C925 C926 1.43(3) . ?
C926 H926 0.9300 . ?
C931 C932 1.377(19) . ?
C931 C936 1.41(2) . ?
C932 H932 0.9300 . ?
C932 C933 1.39(2) . ?
C933 H933 0.9300 . ?
C933 C934 1.40(3) . ?
C934 H934 0.9300 . ?
C934 C935 1.35(3) . ?
C935 H935 0.9300 . ?
C935 C936 1.36(2) . ?
C936 H936 0.9300 . ?
P13 F1 1.58(2) . ?
P13 F2 1.567(15) . ?
P13 F3 1.55(3) . ?
P13 F4 1.639(19) . ?
P13 F5 1.53(2) . ?
P13 F6 1.57(2) . ?
P14 F7 1.69(3) . ?
P14 F8 1.61(3) . ?
P14 F9 1.68(3) . ?
P14 F10 1.63(3) . ?
P14 F11 1.61(4) . ?
P14 F12 1.63(3) . ?
P15 F13 1.66(2) . ?
P15 F13 1.66(2) 3_566 ?
P15 F14 1.65(2) 3_566 ?
P15 F14 1.65(2) . ?
P15 F15 1.64(2) . ?
P15 F15 1.64(2) 3_566 ?
O2G C2S 1.458(19) . ?
O32 C2S 1.52(5) . ?
O3S C3S 1.40(4) . ?
O4S C4S 1.40(4) . ?
O5S C5S 1.47(4) . ?
O6S C6S 1.386(19) . ?
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
Au1 P1 C1O C1 -49.5(12) . . . . ?
Au1 P1 C1O C4 127.1(11) . . . . ?
Au1 P1 C8 C1A -55.9(12) . . . . ?
Au1 P1 C8 C9 127.7(10) . . . . ?
Au1 P1 C27 C2C 154.0(9) . . . . ?
Au1 P1 C27 C7 -27.6(12) . . . . ?
Au2 P2 C1B C1C 51.5(13) . . . . ?
Au2 P2 C1B C1G -128.5(12) . . . . ?
Au2 P2 C1H C1I -155.6(10) . . . . ?
Au2 P2 C1H C1N 28.6(11) . . . . ?
Au2 P2 C1P C1Q 26.9(12) . . . . ?
Au2 P2 C1P C1U -157.2(10) . . . . ?
Au3 P3 C1V C1W -30.2(10) . . . . ?
Au3 P3 C1V C20 151.7(9) . . . . ?
Au3 P3 C21 C22 0.6(13) . . . . ?
Au3 P3 C21 C26 176.8(11) . . . . ?
Au3 P3 C28 C2F -65.9(11) . . . . ?
Au3 P3 C28 C29 109.9(11) . . . . ?
Au4 P4 C411 C412 7.7(12) . . . . ?
Au4 P4 C411 C416 -176.0(11) . . . . ?
Au4 P4 C421 C422 -117.4(13) . . . . ?
Au4 P4 C421 C426 61.3(16) . . . . ?
Au4 P4 C431 C432 -161.6(13) . . . . ?
Au4 P4 C431 C436 17.9(14) . . . . ?
Au5 P5 C511 C512 52.4(11) . . . . ?
Au5 P5 C511 C516 -128.9(10) . . . . ?
Au5 P5 C521 C522 61.7(10) . . . . ?
Au5 P5 C521 C526 -119.9(10) . . . . ?
Au5 P5 C531 C532 -151.9(10) . . . . ?
Au5 P5 C531 C536 27.5(11) . . . . ?
Au6 P6 C611 C612 27.3(13) . . . . ?
Au6 P6 C611 C616 -153.5(11) . . . . ?
Au6 P6 C621 C622 35.1(12) . . . . ?
Au6 P6 C621 C626 -151.0(11) . . . . ?
Au6 P6 C631 C632 42.9(15) . . . . ?
Au6 P6 C631 C636 -139.7(14) . . . . ?
Au7 P7 C711 C712 80.3(12) . . . . ?
Au7 P7 C711 C716 -93.8(14) . . . . ?
Au7 P7 C721 C722 -166.3(11) . . . . ?
Au7 P7 C721 C726 21.3(12) . . . . ?
Au7 P7 C731 C732 163.2(11) . . . . ?
Au7 P7 C731 C736 -23.5(13) . . . . ?
Au11 S1 C11 C12 -49.1(11) . . . . ?
Au11 S1 C11 C16 129.2(10) . . . . ?
Au12 S1 C11 C12 39.4(11) . . . . ?
Au12 S1 C11 C16 -142.2(10) . . . . ?
Au15 P9 C911 C912 73.9(13) . . . . ?
Au15 P9 C911 C916 -100.4(13) . . . . ?
Au15 P9 C921 C922 13.3(15) . . . . ?
Au15 P9 C921 C926 -166.5(14) . . . . ?
Au15 P9 C931 C932 -159.3(11) . . . . ?
Au15 P9 C931 C936 22.8(12) . . . . ?
Au16 P8 C811 C812 -29.6(12) . . . . ?
Au16 P8 C811 C816 150.7(10) . . . . ?
Au16 P8 C821 C822 146.0(10) . . . . ?
Au16 P8 C821 C826 -40.0(12) . . . . ?
Au16 P8 C831 C832 133.2(11) . . . . ?
Au16 P8 C831 C836 -44.5(12) . . . . ?
Au18 P11 C211 C212 -26.2(12) . . . . ?
Au18 P11 C211 C216 155.4(9) . . . . ?
Au18 P11 C221 C222 102.1(10) . . . . ?
Au18 P11 C221 C226 -71.9(12) . . . . ?
Au18 P11 C231 C232 -40.7(13) . . . . ?
Au18 P11 C231 C236 143.2(12) . . . . ?
Au19 P10 C111 C112 -47.9(11) . . . . ?
Au19 P10 C111 C116 130.2(11) . . . . ?
Au19 P10 C121 C122 122.8(11) . . . . ?
Au19 P10 C121 C126 -57.1(11) . . . . ?
Au19 P10 C131 C132 -29.1(12) . . . . ?
Au19 P10 C131 C136 156.0(10) . . . . ?
Au20 P12 C311 C312 52.5(12) . . . . ?
Au20 P12 C311 C316 -128.0(11) . . . . ?
Au20 P12 C321 C322 40.1(12) . . . . ?
Au20 P12 C321 C326 -139.9(11) . . . . ?
Au20 P12 C331 C332 52.3(13) . . . . ?
Au20 P12 C331 C336 -129.9(13) . . . . ?
S1 C11 C12 C13 178.6(11) . . . . ?
S1 C11 C16 C15 -179.3(11) . . . . ?
S1 C11 C16 C17 5(2) . . . . ?
P1 C1O C4 C3 179.3(11) . . . . ?
P1 C8 C9 C10 178.9(11) . . . . ?
P2 C1B C1C C1D -179.5(14) . . . . ?
P2 C1B C1G C1F -179.2(14) . . . . ?
P2 C1H C1I C1K -175.7(11) . . . . ?
P2 C1H C1N C1M 174.2(10) . . . . ?
P2 C1P C1Q C1R 171.7(11) . . . . ?
P2 C1P C1U C1T -174.2(11) . . . . ?
P3 C1V C1W C1X -177.3(10) . . . . ?
P3 C1V C20 C1Z 177.8(10) . . . . ?
P3 C21 C22 C23 179.4(12) . . . . ?
P3 C21 C26 C25 -177.9(13) . . . . ?
P3 C28 C29 C2A -179.8(12) . . . . ?
P4 C411 C412 C413 178.7(12) . . . . ?
P4 C411 C416 C415 -176.3(14) . . . . ?
P4 C421 C422 C423 -174.4(15) . . . . ?
P4 C421 C426 C425 173.5(16) . . . . ?
P4 C431 C432 C433 -178.9(16) . . . . ?
P4 C431 C436 C435 -178.0(13) . . . . ?
P5 C511 C512 C513 -179.2(11) . . . . ?
P5 C511 C516 C515 179.8(11) . . . . ?
P5 C521 C522 C523 176.3(10) . . . . ?
P5 C521 C526 C525 -177.1(10) . . . . ?
P5 C531 C532 C533 -179.6(11) . . . . ?
P5 C531 C536 C535 177.1(9) . . . . ?
P6 C611 C612 C613 179.1(12) . . . . ?
P6 C611 C616 C615 -178.0(13) . . . . ?
P6 C621 C622 C623 177.8(14) . . . . ?
P6 C621 C626 C625 -178.7(12) . . . . ?
P6 C631 C632 C633 175.7(17) . . . . ?
P6 C631 C636 C635 179.9(17) . . . . ?
P7 C711 C712 C713 -178.2(16) . . . . ?
P7 C711 C716 C715 178.6(17) . . . . ?
P7 C721 C722 C723 -176.4(13) . . . . ?
P7 C721 C726 C725 173.6(11) . . . . ?
P7 C731 C732 C733 174.0(13) . . . . ?
P7 C731 C736 C735 -170.6(13) . . . . ?
P8 C811 C812 C813 -176.6(12) . . . . ?
P8 C811 C816 C815 179.6(12) . . . . ?
P8 C821 C822 C823 169.9(11) . . . . ?
P8 C821 C826 C825 -169.7(12) . . . . ?
P8 C831 C832 C833 -179.9(12) . . . . ?
P8 C831 C836 C835 -178.9(10) . . . . ?
P9 C911 C912 C913 -178.9(14) . . . . ?
P9 C911 C916 C915 178.5(16) . . . . ?
P9 C921 C922 C923 176.4(12) . . . . ?
P9 C921 C926 C925 -178.3(17) . . . . ?
P9 C931 C932 C933 -176.9(13) . . . . ?
P9 C931 C936 C935 176.0(12) . . . . ?
P10 C111 C112 C113 -176.1(11) . . . . ?
P10 C111 C116 C115 177.5(13) . . . . ?
P10 C121 C122 C123 -177.9(13) . . . . ?
P10 C121 C126 C125 176.8(11) . . . . ?
P10 C131 C132 C133 -173.2(12) . . . . ?
P10 C131 C136 C135 174.2(12) . . . . ?
P11 C211 C212 C213 -179.9(11) . . . . ?
P11 C211 C216 C215 178.6(11) . . . . ?
P11 C221 C222 C223 -176.5(11) . . . . ?
P11 C221 C226 C225 178.5(11) . . . . ?
P11 C231 C232 C233 -174.3(12) . . . . ?
P11 C231 C236 C235 175.5(12) . . . . ?
P12 C311 C312 C313 179.6(12) . . . . ?
P12 C311 C316 C315 176.2(12) . . . . ?
P12 C321 C322 C323 -178.5(13) . . . . ?
P12 C321 C326 C325 179.6(12) . . . . ?
P12 C331 C332 C333 179.8(13) . . . . ?
P12 C331 C336 C335 -179.5(14) . . . . ?
C1 C1O C4 C3 -4(2) . . . . ?
C1A C8 C9 C10 2(2) . . . . ?
C1B P2 C1H C1I -27.5(12) . . . . ?
C1B P2 C1H C1N 156.7(10) . . . . ?
C1B P2 C1P C1Q -101.4(11) . . . . ?
C1B P2 C1P C1U 74.5(12) . . . . ?
C1B C1C C1D C1E -2(3) . . . . ?
C1C C1B C1G C1F 1(3) . . . . ?
C1C C1D C1E C1F 2(3) . . . . ?
C1D C1E C1F C1G -1(3) . . . . ?
C1E C1F C1G C1B -1(3) . . . . ?
C1G C1B C1C C1D 0(3) . . . . ?
C1H P2 C1B C1C -73.5(13) . . . . ?
C1H P2 C1B C1G 106.5(14) . . . . ?
C1H P2 C1P C1Q 150.8(11) . . . . ?
C1H P2 C1P C1U -33.4(12) . . . . ?
C1H C1I C1K C1L 3(2) . . . . ?
C1I C1H C1N C1M -1.7(19) . . . . ?
C1I C1K C1L C1M -4(2) . . . . ?
C1J C2C C27 P1 179.2(11) . . . . ?
C1J C2C C27 C7 1(2) . . . . ?
C1J C5 C6 C7 -1(2) . . . . ?
C1K C1L C1M C1N 2(2) . . . . ?
C1L C1M C1N C1H 0(2) . . . . ?
C1N C1H C1I C1K 0(2) . . . . ?
C1O P1 C8 C1A 69.6(12) . . . . ?
C1O P1 C8 C9 -106.8(12) . . . . ?
C1O P1 C27 C2C 28.9(12) . . . . ?
C1O P1 C27 C7 -152.8(11) . . . . ?
C1O C1 C2B C2 -3(2) . . . . ?
C1P P2 C1B C1C 177.8(12) . . . . ?
C1P P2 C1B C1G -2.1(15) . . . . ?
C1P P2 C1H C1I 79.3(12) . . . . ?
C1P P2 C1H C1N -96.5(11) . . . . ?
C1P C1Q C1R C1S 4(2) . . . . ?
C1Q C1P C1U C1T 2(2) . . . . ?
C1Q C1R C1S C1T -1(2) . . . . ?
C1R C1S C1T C1U -1(2) . . . . ?
C1S C1T C1U C1P 1(2) . . . . ?
C1U C1P C1Q C1R -4(2) . . . . ?
C1V P3 C21 C22 -119.5(11) . . . . ?
C1V P3 C21 C26 56.7(13) . . . . ?
C1V P3 C28 C2F 56.2(11) . . . . ?
C1V P3 C28 C29 -128.0(12) . . . . ?
C1V C1W C1X C1Y -0.1(19) . . . . ?
C1W C1V C20 C1Z -0.4(18) . . . . ?
C1W C1X C1Y C1Z -1(2) . . . . ?
C1X C1Y C1Z C20 2(2) . . . . ?
C1Y C1Z C20 C1V -1(2) . . . . ?
C2 C3 C4 C1O 2(2) . . . . ?
C2A C2D C2E C2F 0(2) . . . . ?
C2B C1 C1O P1 -178.5(11) . . . . ?
C2B C1 C1O C4 5(2) . . . . ?
C2B C2 C3 C4 -1(2) . . . . ?
C2C C1J C5 C6 3(2) . . . . ?
C2D C2A C29 C28 2(2) . . . . ?
C2D C2E C2F C28 -2(2) . . . . ?
C2E C2F C28 P3 -179.8(11) . . . . ?
C2E C2F C28 C29 4(2) . . . . ?
C2F C28 C29 C2A -4(2) . . . . ?
C3 C2 C2B C1 1(2) . . . . ?
C5 C1J C2C C27 -3(2) . . . . ?
C5 C6 C7 C27 -1(2) . . . . ?
C6 C7 C27 P1 -177.4(12) . . . . ?
C6 C7 C27 C2C 1(2) . . . . ?
C8 P1 C1O C1 -172.5(11) . . . . ?
C8 P1 C1O C4 4.0(13) . . . . ?
C8 P1 C27 C2C -81.3(11) . . . . ?
C8 P1 C27 C7 97.0(12) . . . . ?
C8 C1A C19 C18 1(3) . . . . ?
C8 C9 C10 C18 -1(2) . . . . ?
C9 C10 C18 C19 0(3) . . . . ?
C10 C18 C19 C1A 0(3) . . . . ?
C11 C12 C13 C14 -1(2) . . . . ?
C11 C16 C17 O1 -24(3) . . . . ?
C11 C16 C17 O2 161.5(17) . . . . ?
C12 C11 C16 C15 -1(2) . . . . ?
C12 C11 C16 C17 -176.9(15) . . . . ?
C12 C13 C14 C15 2(2) . . . . ?
C13 C14 C15 C16 -3(2) . . . . ?
C14 C15 C16 C11 2(2) . . . . ?
C14 C15 C16 C17 178.5(16) . . . . ?
C15 C16 C17 O1 160(2) . . . . ?
C15 C16 C17 O2 -15(3) . . . . ?
C16 C11 C12 C13 0(2) . . . . ?
C19 C1A C8 P1 -179.0(13) . . . . ?
C19 C1A C8 C9 -2(2) . . . . ?
C20 C1V C1W C1X 1.0(17) . . . . ?
C21 P3 C1V C1W 93.0(10) . . . . ?
C21 P3 C1V C20 -85.2(11) . . . . ?
C21 P3 C28 C2F 164.8(10) . . . . ?
C21 P3 C28 C29 -19.3(13) . . . . ?
C21 C22 C23 C24 -3(2) . . . . ?
C22 C21 C26 C25 -2(2) . . . . ?
C22 C23 C24 C25 1(3) . . . . ?
C23 C24 C25 C26 1(3) . . . . ?
C24 C25 C26 C21 0(3) . . . . ?
C26 C21 C22 C23 3(2) . . . . ?
C27 P1 C1O C1 76.3(12) . . . . ?
C27 P1 C1O C4 -107.2(12) . . . . ?
C27 P1 C8 C1A 176.6(11) . . . . ?
C27 P1 C8 C9 0.2(13) . . . . ?
C28 P3 C1V C1W -156.2(9) . . . . ?
C28 P3 C1V C20 25.6(11) . . . . ?
C28 P3 C21 C22 130.8(11) . . . . ?
C28 P3 C21 C26 -53.0(13) . . . . ?
C29 C2A C2D C2E 0(2) . . . . ?
C111 P10 C121 C122 -0.5(13) . . . . ?
C111 P10 C121 C126 179.5(10) . . . . ?
C111 P10 C131 C132 95.6(11) . . . . ?
C111 P10 C131 C136 -79.2(12) . . . . ?
C111 C112 C113 C114 -6(2) . . . . ?
C112 C111 C116 C115 -4(2) . . . . ?
C112 C113 C114 C115 4(2) . . . . ?
C113 C114 C115 C116 -3(3) . . . . ?
C114 C115 C116 C111 3(3) . . . . ?
C116 C111 C112 C113 6(2) . . . . ?
C121 P10 C111 C112 74.0(11) . . . . ?
C121 P10 C111 C116 -107.8(12) . . . . ?
C121 P10 C131 C132 -153.5(11) . . . . ?
C121 P10 C131 C136 31.7(13) . . . . ?
C121 C122 C123 C124 0(3) . . . . ?
C122 C121 C126 C125 -3(2) . . . . ?
C122 C123 C124 C125 -1(3) . . . . ?
C123 C124 C125 C126 -1(3) . . . . ?
C124 C125 C126 C121 2(2) . . . . ?
C126 C121 C122 C123 2(2) . . . . ?
C131 P10 C111 C112 -173.6(10) . . . . ?
C131 P10 C111 C116 4.5(13) . . . . ?
C131 P10 C121 C122 -110.6(12) . . . . ?
C131 P10 C121 C126 69.4(11) . . . . ?
C131 C132 C133 C134 -1(2) . . . . ?
C132 C131 C136 C135 -1(2) . . . . ?
C132 C133 C134 C135 -1(2) . . . . ?
C133 C134 C135 C136 2(3) . . . . ?
C134 C135 C136 C131 -1(2) . . . . ?
C136 C131 C132 C133 2(2) . . . . ?
C211 P11 C221 C222 -22.6(12) . . . . ?
C211 P11 C221 C226 163.3(11) . . . . ?
C211 P11 C231 C232 81.9(12) . . . . ?
C211 P11 C231 C236 -94.3(14) . . . . ?
C211 C212 C213 C214 2(2) . . . . ?
C212 C211 C216 C215 0(2) . . . . ?
C212 C213 C214 C215 -1(2) . . . . ?
C213 C214 C215 C216 0(2) . . . . ?
C214 C215 C216 C211 1(2) . . . . ?
C216 C211 C212 C213 -1(2) . . . . ?
C221 P11 C211 C212 99.1(11) . . . . ?
C221 P11 C211 C216 -79.3(12) . . . . ?
C221 P11 C231 C232 -167.1(11) . . . . ?
C221 P11 C231 C236 16.8(15) . . . . ?
C221 C222 C223 C224 1(2) . . . . ?
C222 C221 C226 C225 4(2) . . . . ?
C222 C223 C224 C225 -1(2) . . . . ?
C223 C224 C225 C226 3(2) . . . . ?
C224 C225 C226 C221 -5(2) . . . . ?
C226 C221 C222 C223 -2(2) . . . . ?
C231 P11 C211 C212 -147.4(11) . . . . ?
C231 P11 C211 C216 34.2(12) . . . . ?
C231 P11 C221 C222 -133.1(11) . . . . ?
C231 P11 C221 C226 52.8(13) . . . . ?
C231 C232 C233 C234 -2(2) . . . . ?
C232 C231 C236 C235 0(2) . . . . ?
C232 C233 C234 C235 0(3) . . . . ?
C233 C234 C235 C236 1(3) . . . . ?
C234 C235 C236 C231 -1(2) . . . . ?
C236 C231 C232 C233 2(2) . . . . ?
C311 P12 C321 C322 -82.1(12) . . . . ?
C311 P12 C321 C326 97.9(13) . . . . ?
C311 P12 C331 C332 174.9(12) . . . . ?
C311 P12 C331 C336 -7.3(15) . . . . ?
C311 C312 C313 C314 2(2) . . . . ?
C312 C311 C316 C315 -4(2) . . . . ?
C312 C313 C314 C315 0(2) . . . . ?
C313 C314 C315 C316 -4(2) . . . . ?
C314 C315 C316 C311 6(2) . . . . ?
C316 C311 C312 C313 0(2) . . . . ?
C321 P12 C311 C312 175.5(11) . . . . ?
C321 P12 C311 C316 -5.0(14) . . . . ?
C321 P12 C331 C332 -72.5(13) . . . . ?
C321 P12 C331 C336 105.3(14) . . . . ?
C321 C322 C323 C324 -1(3) . . . . ?
C322 C321 C326 C325 0(2) . . . . ?
C322 C323 C324 C325 -1(3) . . . . ?
C323 C324 C325 C326 2(3) . . . . ?
C324 C325 C326 C321 -1(2) . . . . ?
C326 C321 C322 C323 1(2) . . . . ?
C331 P12 C311 C312 -73.4(12) . . . . ?
C331 P12 C311 C316 106.1(13) . . . . ?
C331 P12 C321 C322 167.3(11) . . . . ?
C331 P12 C321 C326 -12.7(14) . . . . ?
C331 C332 C333 C334 -3(3) . . . . ?
C332 C331 C336 C335 -2(2) . . . . ?
C332 C333 C334 C335 5(3) . . . . ?
C333 C334 C335 C336 -5(3) . . . . ?
C334 C335 C336 C331 3(3) . . . . ?
C336 C331 C332 C333 2(2) . . . . ?
C411 P4 C421 C422 10.2(16) . . . . ?
C411 P4 C421 C426 -171.1(14) . . . . ?
C411 P4 C431 C432 74.0(16) . . . . ?
C411 P4 C431 C436 -106.5(13) . . . . ?
C411 C412 C413 C414 -4(2) . . . . ?
C412 C411 C416 C415 0(2) . . . . ?
C412 C413 C414 C415 4(3) . . . . ?
C413 C414 C415 C416 -2(3) . . . . ?
C414 C415 C416 C411 0(3) . . . . ?
C416 C411 C412 C413 2(2) . . . . ?
C421 P4 C411 C412 -123.0(11) . . . . ?
C421 P4 C411 C416 53.2(14) . . . . ?
C421 P4 C431 C432 -34.9(16) . . . . ?
C421 P4 C431 C436 144.6(13) . . . . ?
C421 C422 C423 C424 -1(3) . . . . ?
C422 C421 C426 C425 -8(3) . . . . ?
C422 C423 C424 C425 -4(4) . . . . ?
C423 C424 C425 C426 3(4) . . . . ?
C424 C425 C426 C421 3(3) . . . . ?
C426 C421 C422 C423 7(3) . . . . ?
C431 P4 C411 C412 131.8(11) . . . . ?
C431 P4 C411 C416 -52.0(14) . . . . ?
C431 P4 C421 C422 119.9(15) . . . . ?
C431 P4 C421 C426 -61.3(15) . . . . ?
C431 C432 C433 C434 -1(4) . . . . ?
C432 C431 C436 C435 2(3) . . . . ?
C432 C433 C434 C435 -2(5) . . . . ?
C433 C434 C435 C436 6(4) . . . . ?
C434 C435 C436 C431 -5(3) . . . . ?
C436 C431 C432 C433 2(3) . . . . ?
C511 P5 C521 C522 -67.9(10) . . . . ?
C511 P5 C521 C526 110.5(11) . . . . ?
C511 P5 C531 C532 -20.4(12) . . . . ?
C511 P5 C531 C536 159.0(9) . . . . ?
C511 C512 C513 C514 -3(2) . . . . ?
C512 C511 C516 C515 -1(2) . . . . ?
C512 C513 C514 C515 2(2) . . . . ?
C513 C514 C515 C516 -2(2) . . . . ?
C514 C515 C516 C511 1(2) . . . . ?
C516 C511 C512 C513 2(2) . . . . ?
C521 P5 C511 C512 175.6(10) . . . . ?
C521 P5 C511 C516 -5.7(13) . . . . ?
C521 P5 C531 C532 88.5(11) . . . . ?
C521 P5 C531 C536 -92.1(10) . . . . ?
C521 C522 C523 C524 1(2) . . . . ?
C522 C521 C526 C525 1.3(18) . . . . ?
C522 C523 C524 C525 0(2) . . . . ?
C523 C524 C525 C526 -1(2) . . . . ?
C524 C525 C526 C521 0(2) . . . . ?
C526 C521 C522 C523 -2.1(18) . . . . ?
C531 P5 C511 C512 -75.3(11) . . . . ?
C531 P5 C511 C516 103.4(12) . . . . ?
C531 P5 C521 C522 -175.9(9) . . . . ?
C531 P5 C521 C526 2.5(12) . . . . ?
C531 C532 C533 C534 1(2) . . . . ?
C532 C531 C536 C535 -3.4(18) . . . . ?
C532 C533 C534 C535 0(2) . . . . ?
C533 C534 C535 C536 -2(2) . . . . ?
C534 C535 C536 C531 4.0(19) . . . . ?
C536 C531 C532 C533 1.0(19) . . . . ?
C611 P6 C621 C622 -87.7(12) . . . . ?
C611 P6 C621 C626 86.2(13) . . . . ?
C611 P6 C631 C632 169.8(14) . . . . ?
C611 P6 C631 C636 -12.8(17) . . . . ?
C611 C612 C613 C614 -1(2) . . . . ?
C612 C611 C616 C615 1(2) . . . . ?
C612 C613 C614 C615 2(3) . . . . ?
C613 C614 C615 C616 -1(3) . . . . ?
C614 C615 C616 C611 -1(3) . . . . ?
C616 C611 C612 C613 0(2) . . . . ?
C621 P6 C611 C612 148.2(12) . . . . ?
C621 P6 C611 C616 -32.5(13) . . . . ?
C621 P6 C631 C632 -80.4(14) . . . . ?
C621 P6 C631 C636 97.0(15) . . . . ?
C621 C622 C623 C624 -2(3) . . . . ?
C622 C621 C626 C625 -5(2) . . . . ?
C622 C623 C624 C625 2(3) . . . . ?
C623 C624 C625 C626 -3(3) . . . . ?
C624 C625 C626 C621 5(2) . . . . ?
C626 C621 C622 C623 3(2) . . . . ?
C631 P6 C611 C612 -101.9(12) . . . . ?
C631 P6 C611 C616 77.4(13) . . . . ?
C631 P6 C621 C622 162.5(11) . . . . ?
C631 P6 C621 C626 -23.6(13) . . . . ?
C631 C632 C633 C634 5(4) . . . . ?
C632 C631 C636 C635 -3(3) . . . . ?
C632 C633 C634 C635 -4(3) . . . . ?
C633 C634 C635 C636 -1(3) . . . . ?
C634 C635 C636 C631 4(4) . . . . ?
C636 C631 C632 C633 -2(3) . . . . ?
C711 P7 C721 C722 -37.5(13) . . . . ?
C711 P7 C721 C726 150.1(11) . . . . ?
C711 P7 C731 C732 33.1(14) . . . . ?
C711 P7 C731 C736 -153.7(12) . . . . ?
C711 C712 C713 C714 1(3) . . . . ?
C712 C711 C716 C715 5(3) . . . . ?
C712 C713 C714 C715 1(4) . . . . ?
C713 C714 C715 C716 0(4) . . . . ?
C714 C715 C716 C711 -3(4) . . . . ?
C716 C711 C712 C713 -4(3) . . . . ?
C721 P7 C711 C712 -46.9(13) . . . . ?
C721 P7 C711 C716 139.1(14) . . . . ?
C721 P7 C731 C732 -74.8(13) . . . . ?
C721 P7 C731 C736 98.4(13) . . . . ?
C721 C722 C723 C724 5(2) . . . . ?
C722 C721 C726 C725 1(2) . . . . ?
C722 C723 C724 C725 -4(2) . . . . ?
C723 C724 C725 C726 1(2) . . . . ?
C724 C725 C726 C721 0(2) . . . . ?
C726 C721 C722 C723 -4(2) . . . . ?
C731 P7 C711 C712 -152.3(12) . . . . ?
C731 P7 C711 C716 33.7(15) . . . . ?
C731 P7 C721 C722 73.3(13) . . . . ?
C731 P7 C721 C726 -99.1(11) . . . . ?
C731 C732 C733 C734 -3(3) . . . . ?
C732 C731 C736 C735 3(2) . . . . ?
C732 C733 C734 C735 1(3) . . . . ?
C733 C734 C735 C736 2(3) . . . . ?
C734 C735 C736 C731 -4(3) . . . . ?
C736 C731 C732 C733 1(2) . . . . ?
C811 P8 C821 C822 19.8(13) . . . . ?
C811 P8 C821 C826 -166.1(11) . . . . ?
C811 P8 C831 C832 -99.9(13) . . . . ?
C811 P8 C831 C836 82.4(11) . . . . ?
C811 C812 C813 C814 -1(2) . . . . ?
C812 C811 C816 C815 0(2) . . . . ?
C812 C813 C814 C815 -4(3) . . . . ?
C813 C814 C815 C816 8(3) . . . . ?
C814 C815 C816 C811 -5(3) . . . . ?
C816 C811 C812 C813 3(2) . . . . ?
C821 P8 C811 C812 95.5(11) . . . . ?
C821 P8 C811 C816 -84.2(12) . . . . ?
C821 P8 C831 C832 11.3(13) . . . . ?
C821 P8 C831 C836 -166.4(10) . . . . ?
C821 C822 C823 C824 1(2) . . . . ?
C822 C821 C826 C825 4(2) . . . . ?
C822 C823 C824 C825 1(3) . . . . ?
C823 C824 C825 C826 -1(3) . . . . ?
C824 C825 C826 C821 -2(2) . . . . ?
C826 C821 C822 C823 -4(2) . . . . ?
C831 P8 C811 C812 -156.2(10) . . . . ?
C831 P8 C811 C816 24.2(12) . . . . ?
C831 P8 C821 C822 -91.3(12) . . . . ?
C831 P8 C821 C826 82.8(11) . . . . ?
C831 C832 C833 C834 1(2) . . . . ?
C832 C831 C836 C835 3(2) . . . . ?
C832 C833 C834 C835 0(2) . . . . ?
C833 C834 C835 C836 1(2) . . . . ?
C834 C835 C836 C831 -3(2) . . . . ?
C836 C831 C832 C833 -2(2) . . . . ?
C911 P9 C921 C922 -113.7(13) . . . . ?
C911 P9 C921 C926 66.6(16) . . . . ?
C911 P9 C931 C932 -33.3(14) . . . . ?
C911 P9 C931 C936 148.9(11) . . . . ?
C911 C912 C913 C914 1(3) . . . . ?
C912 C911 C916 C915 4(3) . . . . ?
C912 C913 C914 C915 2(3) . . . . ?
C913 C914 C915 C916 -3(3) . . . . ?
C914 C915 C916 C911 0(3) . . . . ?
C916 C911 C912 C913 -4(2) . . . . ?
C921 P9 C911 C912 -161.7(12) . . . . ?
C921 P9 C911 C916 24.1(15) . . . . ?
C921 P9 C931 C932 77.1(14) . . . . ?
C921 P9 C931 C936 -100.8(12) . . . . ?
C921 C922 C923 C924 2(2) . . . . ?
C922 C921 C926 C925 2(3) . . . . ?
C922 C923 C924 C925 1(3) . . . . ?
C923 C924 C925 C926 -3(3) . . . . ?
C924 C925 C926 C921 2(3) . . . . ?
C926 C921 C922 C923 -4(2) . . . . ?
C931 P9 C911 C912 -49.8(13) . . . . ?
C931 P9 C911 C916 136.0(14) . . . . ?
C931 P9 C921 C922 137.0(13) . . . . ?
C931 P9 C921 C926 -42.7(17) . . . . ?
C931 C932 C933 C934 -2(3) . . . . ?
C932 C931 C936 C935 -2(2) . . . . ?
C932 C933 C934 C935 4(3) . . . . ?
C933 C934 C935 C936 -5(3) . . . . ?
C934 C935 C936 C931 4(3) . . . . ?
C936 C931 C932 C933 1(2) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.500 2469 669 ' '
2 0.000 0.500 0.000 2470 672 ' '
