#------------------------------------------------------------------------------
#$Date: 2020-08-04 04:01:42 +0300 (Tue, 04 Aug 2020) $
#$Revision: 254751 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/87/1558738.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_1558738
loop_
_publ_author_name
'Straube, Axel A.'
'Coburger, Peter'
'Duetsch, Luis'
'Hey-Hawkins, Evamarie'
_publ_section_title
;
 Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for
 redox-switchable catalysis
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC03604H
_journal_year                    2020
_chemical_formula_moiety
;
C144 H114 Au6 Cl6 Fe6 P6 6+,6(C16 Al F36 O4 1-),3.5(C2 H4 Cl2)
;
_chemical_formula_sum            'C247 H128 Al6 Au6 Cl13 F216 Fe6 O24 P6'
_chemical_formula_weight         9908.94
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-06-24 deposited with the CCDC.	2020-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                103.677(2)
_cell_angle_beta                 96.218(2)
_cell_angle_gamma                108.488(2)
_cell_formula_units_Z            2
_cell_length_a                   19.4400(3)
_cell_length_b                   25.6696(5)
_cell_length_c                   35.2564(7)
_cell_measurement_reflns_used    12113
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      23.5000
_cell_measurement_theta_min      2.1100
_cell_volume                     15888.5(6)
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics
;
 ORTEP3 for Windows
 L. J. Farrugia, J. Appl. Crystallogr. 1997, 30, 565.
 or
 DIAMOND Version 4.5.3
 K. Brandenburg, Crystal Impact GbR, Bonn, Germany
;
_computing_publication_material
;
 WINGX
 L.J. Farrugia,
 J. Appl. Cryst., 2012, 45, 849-854.
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXT-2018-2
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.3560
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0759
_diffrn_reflns_av_unetI/netI     0.1554
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.883
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            108958
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.883
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.093
_diffrn_reflns_theta_min         2.007
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.366
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear green'
_exptl_crystal_density_diffrn    2.071
_exptl_crystal_description       needle
_exptl_crystal_F_000             9530
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.555
_refine_diff_density_min         -1.826
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3801
_refine_ls_number_reflns         61811
_refine_ls_number_restraints     2609
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.1705
_refine_ls_R_factor_gt           0.0912
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1277P)²+19.5360P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2241
_refine_ls_wR_factor_ref         0.2770
_reflns_Friedel_coverage         0.000
_reflns_number_gt                31095
_reflns_number_total             61811
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc03604h2.cif
_cod_data_source_block           x3243sqfin
_cod_database_code               1558738
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.00352(3) 0.78347(3) 0.11367(2) 0.05704(19) Uani 1 1 d . . . . .
Au2 Au 0.27201(3) 1.03296(2) 0.34321(2) 0.04280(15) Uani 1 1 d . . . . .
Au3 Au -0.03607(3) 0.62776(3) 0.24731(2) 0.04625(16) Uani 1 1 d . . . . .
Au4 Au 0.12642(3) 1.01272(3) 0.28189(2) 0.04275(15) Uani 1 1 d . . . . .
Au5 Au -0.06880(3) 0.64912(3) 0.34144(2) 0.05016(17) Uani 1 1 d . . . . .
Au6 Au -0.14072(4) 0.78857(3) 0.13278(2) 0.05750(19) Uani 1 1 d . . . . .
Fe1 Fe 0.19516(11) 0.90773(10) 0.10492(6) 0.0467(5) Uani 1 1 d . . . . .
Fe2 Fe 0.45010(10) 1.08077(9) 0.28251(6) 0.0410(5) Uani 1 1 d . . . . .
Fe3 Fe 0.17668(11) 0.74185(9) 0.25194(6) 0.0432(5) Uani 1 1 d . . . . .
Fe4 Fe -0.05845(10) 0.91283(9) 0.31128(6) 0.0418(5) Uani 1 1 d . . . . .
Fe5 Fe -0.29780(13) 0.58755(11) 0.33325(8) 0.0665(7) Uani 1 1 d . . . . .
Fe6 Fe -0.31836(11) 0.66285(10) 0.15071(6) 0.0506(6) Uani 1 1 d . . . . .
Cl1 Cl 0.0039(3) 0.7355(2) 0.16089(16) 0.0943(18) Uani 1 1 d . . . . .
Cl2 Cl 0.21445(18) 0.94152(15) 0.34572(11) 0.0454(8) Uani 1 1 d . . . . .
Cl3 Cl -0.1377(2) 0.65429(19) 0.24327(12) 0.0591(11) Uani 1 1 d . . . . .
Cl4 Cl 0.18242(19) 0.96824(17) 0.23810(11) 0.0520(9) Uani 1 1 d . . . . .
Cl5 Cl -0.00593(19) 0.74375(15) 0.34949(11) 0.0473(9) Uani 1 1 d . . . . .
Cl6 Cl -0.0848(4) 0.8667(2) 0.18563(15) 0.117(2) Uani 1 1 d . . . . .
P1 P 0.0124(2) 0.83360(19) 0.06920(13) 0.0540(11) Uani 1 1 d . . . . .
P2 P 0.3424(2) 1.12210(16) 0.34809(12) 0.0435(9) Uani 1 1 d . . . . .
P3 P 0.0638(2) 0.60336(17) 0.24765(12) 0.0439(9) Uani 1 1 d . . . . .
P4 P 0.05803(19) 1.05135(16) 0.31741(11) 0.0398(9) Uani 1 1 d . . . . .
P5 P -0.1321(2) 0.55993(18) 0.34151(13) 0.0543(11) Uani 1 1 d . . . . .
P6 P -0.2105(2) 0.70996(18) 0.08508(12) 0.0505(10) Uani 1 1 d . . . . .
C1 C 0.2827(7) 0.8919(5) 0.1822(4) 0.033(3) Uani 1 1 d . . . . .
C2 C 0.3474(7) 0.9359(6) 0.2053(4) 0.042(4) Uani 1 1 d . . . . .
H2 H 0.379074 0.960008 0.192781 0.050 Uiso 1 1 calc R U . . .
C3 C 0.3661(6) 0.9450(6) 0.2458(4) 0.039(3) Uani 1 1 d . . . . .
C4 C 0.3210(6) 0.9106(6) 0.2643(4) 0.034(3) Uani 1 1 d . . . . .
H4 H 0.334212 0.917365 0.292229 0.041 Uiso 1 1 calc R U . . .
C5 C 0.2582(7) 0.8675(6) 0.2436(4) 0.036(3) Uani 1 1 d . . . . .
C6 C 0.2388(7) 0.8595(6) 0.2017(4) 0.035(3) Uani 1 1 d . . . . .
H6 H 0.193414 0.830466 0.187097 0.042 Uiso 1 1 calc R U . . .
C7 C 0.2662(8) 0.8802(7) 0.1397(4) 0.050(4) Uani 1 1 d . . . . .
C8 C 0.2081(7) 0.8331(6) 0.1117(4) 0.043(4) Uani 1 1 d . . . . .
H8 H 0.171731 0.803926 0.118495 0.052 Uiso 1 1 calc R U . . .
C9 C 0.2124(9) 0.8361(8) 0.0726(5) 0.056(4) Uani 1 1 d . . . . .
H9 H 0.179804 0.810088 0.048821 0.067 Uiso 1 1 calc R U . . .
C10 C 0.2729(10) 0.8841(8) 0.0754(5) 0.063(5) Uani 1 1 d . . . . .
H10 H 0.290038 0.895217 0.053234 0.076 Uiso 1 1 calc R U . . .
C11 C 0.3058(8) 0.9145(7) 0.1158(4) 0.051(4) Uani 1 1 d . . . . .
H11 H 0.345707 0.950196 0.125441 0.061 Uiso 1 1 calc R U . . .
C12 C 0.0891(8) 0.9016(7) 0.0898(4) 0.049(4) Uani 1 1 d . . . . .
C13 C 0.1329(9) 0.9378(7) 0.0705(6) 0.063(5) Uani 1 1 d . . . . .
H13 H 0.127143 0.931675 0.042534 0.076 Uiso 1 1 calc R U . . .
C14 C 0.1851(10) 0.9832(8) 0.0988(5) 0.066(5) Uani 1 1 d . . . . .
H14 H 0.221804 1.013175 0.092918 0.079 Uiso 1 1 calc R U . . .
C15 C 0.1782(10) 0.9804(7) 0.1379(6) 0.069(5) Uani 1 1 d . . . . .
H15 H 0.207308 1.007027 0.162433 0.083 Uiso 1 1 calc R U . . .
C16 C 0.1167(9) 0.9278(7) 0.1319(5) 0.061(5) Uani 1 1 d . . . . .
H16 H 0.097546 0.912922 0.152399 0.074 Uiso 1 1 calc R U . . .
C17 C 0.0285(7) 0.7987(7) 0.0230(5) 0.049(4) Uani 1 1 d . . . . .
C18 C 0.0325(8) 0.7457(8) 0.0161(5) 0.061(5) Uani 1 1 d . . . . .
H18 H 0.023596 0.726493 0.036006 0.073 Uiso 1 1 calc R U . . .
C19 C 0.0491(10) 0.7179(9) -0.0188(6) 0.078(6) Uani 1 1 d . . . . .
H19 H 0.055097 0.682043 -0.021217 0.094 Uiso 1 1 calc R U . . .
C20 C 0.0565(9) 0.7411(9) -0.0485(6) 0.079(6) Uani 1 1 d . . . . .
H20 H 0.066126 0.721171 -0.072505 0.095 Uiso 1 1 calc R U . . .
C21 C 0.0500(9) 0.7957(10) -0.0447(6) 0.088(7) Uani 1 1 d . . . . .
H21 H 0.056908 0.813241 -0.065570 0.106 Uiso 1 1 calc R U . . .
C22 C 0.0326(9) 0.8239(8) -0.0081(5) 0.066(5) Uani 1 1 d . . . . .
H22 H 0.024065 0.858926 -0.005348 0.079 Uiso 1 1 calc R U . . .
C23 C -0.0671(9) 0.8542(7) 0.0564(5) 0.055(4) Uani 1 1 d . . . . .
C24 C -0.1186(9) 0.8254(7) 0.0206(6) 0.062(5) Uani 1 1 d . . . . .
H24 H -0.111623 0.794409 0.002513 0.074 Uiso 1 1 calc R U . . .
C25 C -0.1768(9) 0.8394(8) 0.0107(6) 0.074(6) Uani 1 1 d . . . . .
H25 H -0.209760 0.819857 -0.014320 0.088 Uiso 1 1 calc R U . . .
C26 C -0.1881(9) 0.8827(8) 0.0373(6) 0.076(5) Uani 1 1 d . . . . .
H26 H -0.230109 0.892703 0.030954 0.091 Uiso 1 1 calc R U . . .
C27 C -0.1388(11) 0.9126(8) 0.0740(6) 0.079(6) Uani 1 1 d . . . . .
H27 H -0.147543 0.942596 0.092115 0.095 Uiso 1 1 calc R U . . .
C28 C -0.0769(9) 0.8982(8) 0.0837(5) 0.066(5) Uani 1 1 d . . . . .
H28 H -0.042745 0.918127 0.108226 0.079 Uiso 1 1 calc R U . . .
C29 C 0.4354(7) 0.9928(6) 0.2698(4) 0.044(4) Uani 1 1 d . . . . .
C30 C 0.4954(7) 1.0224(6) 0.2540(4) 0.043(4) Uani 1 1 d . . . . .
H30 H 0.500364 1.014906 0.226953 0.051 Uiso 1 1 calc R U . . .
C31 C 0.5476(7) 1.0665(7) 0.2879(5) 0.053(4) Uani 1 1 d . . . . .
H31 H 0.593137 1.093398 0.286447 0.064 Uiso 1 1 calc R U . . .
C32 C 0.5217(7) 1.0637(7) 0.3225(4) 0.046(4) Uani 1 1 d . . . . .
H32 H 0.545474 1.087431 0.348731 0.056 Uiso 1 1 calc R U . . .
C33 C 0.4515(7) 1.0177(6) 0.3108(4) 0.038(3) Uani 1 1 d . . . . .
H33 H 0.420397 1.005880 0.328539 0.046 Uiso 1 1 calc R U . . .
C34 C 0.3849(7) 1.1267(6) 0.3045(4) 0.038(3) Uani 1 1 d . . . . .
C35 C 0.3516(8) 1.0921(7) 0.2651(4) 0.048(4) Uani 1 1 d . . . . .
H35 H 0.304060 1.062759 0.256758 0.058 Uiso 1 1 calc R U . . .
C36 C 0.4008(9) 1.1085(7) 0.2408(5) 0.052(4) Uani 1 1 d . . . . .
H36 H 0.392878 1.091149 0.213011 0.062 Uiso 1 1 calc R U . . .
C37 C 0.4625(9) 1.1535(7) 0.2628(5) 0.059(4) Uani 1 1 d . . . . .
H37 H 0.503913 1.173106 0.253090 0.071 Uiso 1 1 calc R U . . .
C38 C 0.4530(8) 1.1650(6) 0.3024(4) 0.043(3) Uani 1 1 d . . . . .
H38 H 0.487371 1.194207 0.324321 0.052 Uiso 1 1 calc R U . . .
C39 C 0.4207(8) 1.1520(6) 0.3906(4) 0.047(4) Uani 1 1 d . . . . .
C40 C 0.4608(8) 1.2075(7) 0.4037(5) 0.060(5) Uani 1 1 d . . . . .
H40 H 0.448514 1.232558 0.390500 0.073 Uiso 1 1 calc R U . . .
C41 C 0.5178(10) 1.2297(7) 0.4346(6) 0.068(5) Uani 1 1 d . . . . .
H41 H 0.546703 1.269478 0.442769 0.081 Uiso 1 1 calc R U . . .
C42 C 0.5339(10) 1.1916(10) 0.4550(5) 0.079(6) Uani 1 1 d . . . . .
H42 H 0.572523 1.206326 0.477844 0.095 Uiso 1 1 calc R U . . .
C43 C 0.4930(11) 1.1332(8) 0.4414(5) 0.078(6) Uani 1 1 d . . . . .
H43 H 0.503648 1.106923 0.453920 0.094 Uiso 1 1 calc R U . . .
C44 C 0.4365(10) 1.1154(8) 0.4090(5) 0.068(5) Uani 1 1 d . . . . .
H44 H 0.407328 1.075753 0.399123 0.081 Uiso 1 1 calc R U . . .
C45 C 0.3007(7) 1.1773(6) 0.3522(5) 0.050(4) Uani 1 1 d . . . . .
C46 C 0.2681(9) 1.1865(7) 0.3858(6) 0.071(5) Uani 1 1 d . . . . .
H46 H 0.265214 1.163769 0.403681 0.085 Uiso 1 1 calc R U . . .
C47 C 0.2395(10) 1.2320(8) 0.3912(6) 0.077(6) Uani 1 1 d . . . . .
H47 H 0.213793 1.238212 0.412299 0.093 Uiso 1 1 calc R U . . .
C48 C 0.2486(12) 1.2674(9) 0.3664(8) 0.102(8) Uani 1 1 d . . . . .
H48 H 0.233048 1.299538 0.371642 0.122 Uiso 1 1 calc R U . . .
C49 C 0.2807(8) 1.2551(7) 0.3337(6) 0.067(5) Uani 1 1 d . . . . .
H49 H 0.284493 1.277220 0.315383 0.081 Uiso 1 1 calc R U . . .
C50 C 0.3069(8) 1.2109(7) 0.3280(6) 0.069(5) Uani 1 1 d . . . . .
H50 H 0.330483 1.203845 0.306116 0.083 Uiso 1 1 calc R U . . .
C51 C 0.2092(8) 0.8309(6) 0.2634(4) 0.042(3) Uani 1 1 d . . . . .
C52 C 0.2317(8) 0.8178(6) 0.2976(4) 0.040(3) Uani 1 1 d . . . . .
H52 H 0.281654 0.829185 0.310862 0.048 Uiso 1 1 calc R U . . .
C53 C 0.1690(9) 0.7847(7) 0.3099(5) 0.058(4) Uani 1 1 d . . . . .
H53 H 0.168503 0.770909 0.332626 0.069 Uiso 1 1 calc R U . . .
C54 C 0.1074(8) 0.7767(6) 0.2807(5) 0.051(4) Uani 1 1 d . . . . .
H54 H 0.057235 0.755723 0.280457 0.061 Uiso 1 1 calc R U . . .
C55 C 0.1315(7) 0.8040(6) 0.2531(4) 0.047(4) Uani 1 1 d . . . . .
H55 H 0.100753 0.804792 0.230523 0.057 Uiso 1 1 calc R U . . .
C56 C 0.1367(7) 0.6522(7) 0.2322(4) 0.045(4) Uani 1 1 d . . . . .
C57 C 0.1311(9) 0.6747(6) 0.1985(4) 0.051(4) Uani 1 1 d . . . . .
H57 H 0.086731 0.668021 0.180825 0.062 Uiso 1 1 calc R U . . .
C58 C 0.2025(9) 0.7082(7) 0.1967(4) 0.059(5) Uani 1 1 d . . . . .
H58 H 0.214547 0.728086 0.177329 0.071 Uiso 1 1 calc R U . . .
C59 C 0.2533(9) 0.7077(7) 0.2276(5) 0.058(4) Uani 1 1 d . . . . .
H59 H 0.305375 0.727036 0.232942 0.070 Uiso 1 1 calc R U . . .
C60 C 0.2140(7) 0.6738(7) 0.2495(4) 0.047(4) Uani 1 1 d . . . . .
H60 H 0.235242 0.666226 0.272250 0.056 Uiso 1 1 calc R U . . .
C61 C 0.1076(8) 0.6018(7) 0.2939(5) 0.049(4) Uani 1 1 d . . . . .
C62 C 0.1446(9) 0.5674(9) 0.2991(5) 0.071(5) Uani 1 1 d . . . . .
H62 H 0.146980 0.540459 0.276023 0.085 Uiso 1 1 calc R U . . .
C63 C 0.1802(10) 0.5682(11) 0.3360(7) 0.092(7) Uani 1 1 d . . . . .
H63 H 0.205022 0.542280 0.338247 0.110 Uiso 1 1 calc R U . . .
C64 C 0.1776(13) 0.6083(15) 0.3687(8) 0.124(11) Uani 1 1 d . . . . .
H64 H 0.202511 0.610987 0.394139 0.149 Uiso 1 1 calc R U . . .
C65 C 0.1408(10) 0.6441(12) 0.3658(6) 0.092(8) Uani 1 1 d . . . . .
H65 H 0.138786 0.670370 0.389269 0.111 Uiso 1 1 calc R U . . .
C66 C 0.1053(8) 0.6433(8) 0.3288(5) 0.068(5) Uani 1 1 d . . . . .
H66 H 0.080504 0.669324 0.326750 0.081 Uiso 1 1 calc R U . . .
C67 C 0.0492(9) 0.5342(7) 0.2129(5) 0.057(4) Uani 1 1 d . . . . .
C68 C 0.0965(10) 0.5247(8) 0.1878(6) 0.082(6) Uani 1 1 d . . . . .
H68 H 0.139680 0.555843 0.188649 0.098 Uiso 1 1 calc R U . . .
C69 C 0.0839(12) 0.4722(9) 0.1616(8) 0.112(9) Uani 1 1 d . . . . .
H69 H 0.116713 0.466773 0.144238 0.135 Uiso 1 1 calc R U . . .
C70 C 0.0203(12) 0.4268(9) 0.1617(7) 0.101(8) Uani 1 1 d . . . . .
H70 H 0.009465 0.389869 0.143868 0.121 Uiso 1 1 calc R U . . .
C71 C -0.0275(10) 0.4354(7) 0.1878(6) 0.076(6) Uani 1 1 d . . . . .
H71 H -0.069383 0.403909 0.187997 0.091 Uiso 1 1 calc R U . . .
C72 C -0.0150(10) 0.4861(9) 0.2117(5) 0.076(6) Uani 1 1 d . . . . .
H72 H -0.048676 0.491315 0.228606 0.092 Uiso 1 1 calc R U . . .
C73 C -0.1631(7) 0.7804(6) 0.2932(4) 0.042(4) Uani 1 1 d . . . . .
C74 C -0.1890(7) 0.7501(7) 0.3199(4) 0.046(4) Uani 1 1 d . . . . .
H74 H -0.160202 0.760146 0.345883 0.055 Uiso 1 1 calc R U . . .
C75 C -0.2567(8) 0.7053(7) 0.3088(5) 0.048(4) Uani 1 1 d . . . . .
C76 C -0.2961(8) 0.6967(7) 0.2713(5) 0.054(4) Uani 1 1 d . . . . .
H76 H -0.343007 0.666600 0.263034 0.065 Uiso 1 1 calc R U . . .
C77 C -0.2746(8) 0.7263(7) 0.2459(4) 0.050(4) Uani 1 1 d . . . . .
C78 C -0.2045(7) 0.7690(6) 0.2563(4) 0.044(4) Uani 1 1 d . . . . .
H78 H -0.186017 0.789555 0.238240 0.053 Uiso 1 1 calc R U . . .
C79 C -0.0878(8) 0.8241(6) 0.3049(4) 0.043(3) Uani 1 1 d . . . . .
C80 C -0.0378(7) 0.8416(6) 0.2790(4) 0.038(3) Uani 1 1 d . . . . .
H80 H -0.048251 0.827281 0.250822 0.045 Uiso 1 1 calc R U . . .
C81 C 0.0283(8) 0.8830(7) 0.3022(5) 0.056(4) Uani 1 1 d . . . . .
H81 H 0.070809 0.901515 0.292847 0.067 Uiso 1 1 calc R U . . .
C82 C 0.0201(8) 0.8920(7) 0.3420(5) 0.062(5) Uani 1 1 d . . . . .
H82 H 0.056887 0.919176 0.363874 0.074 Uiso 1 1 calc R U . . .
C83 C -0.0495(9) 0.8558(6) 0.3459(5) 0.059(4) Uani 1 1 d . . . . .
H83 H -0.067092 0.852965 0.369676 0.071 Uiso 1 1 calc R U . . .
C84 C -0.0339(6) 0.9992(5) 0.3113(4) 0.035(3) Uani 1 1 d . . . . .
C85 C -0.0738(7) 0.9864(7) 0.3409(4) 0.049(4) Uani 1 1 d . . . . .
H85 H -0.056311 1.004186 0.368727 0.059 Uiso 1 1 calc R U . . .
C86 C -0.1429(8) 0.9435(6) 0.3235(5) 0.046(4) Uani 1 1 d . . . . .
H86 H -0.179987 0.927218 0.337107 0.056 Uiso 1 1 calc R U . . .
C87 C -0.1469(7) 0.9294(6) 0.2827(5) 0.045(4) Uani 1 1 d . . . . .
H87 H -0.188590 0.902332 0.263378 0.055 Uiso 1 1 calc R U . . .
C88 C -0.0809(7) 0.9608(6) 0.2742(4) 0.038(3) Uani 1 1 d . . . . .
H88 H -0.068808 0.957512 0.248543 0.046 Uiso 1 1 calc R U . . .
C89 C 0.0887(7) 1.0805(6) 0.3711(4) 0.041(3) Uani 1 1 d . . . . .
C90 C 0.1268(7) 1.0554(7) 0.3909(5) 0.048(4) Uani 1 1 d . . . . .
H90 H 0.135701 1.022387 0.377137 0.057 Uiso 1 1 calc R U . . .
C91 C 0.1523(7) 1.0792(7) 0.4319(5) 0.050(4) Uani 1 1 d . . . . .
H91 H 0.180858 1.063339 0.446011 0.060 Uiso 1 1 calc R U . . .
C92 C 0.1364(7) 1.1256(8) 0.4520(4) 0.055(4) Uani 1 1 d . . . . .
H92 H 0.151946 1.140827 0.480058 0.066 Uiso 1 1 calc R U . . .
C93 C 0.0977(8) 1.1497(6) 0.4307(4) 0.048(4) Uani 1 1 d . . . . .
H93 H 0.087594 1.182229 0.444290 0.057 Uiso 1 1 calc R U . . .
C94 C 0.0730(7) 1.1271(7) 0.3895(4) 0.050(4) Uani 1 1 d . . . . .
H94 H 0.046189 1.143630 0.374858 0.060 Uiso 1 1 calc R U . . .
C95 C 0.0394(8) 1.1070(6) 0.2980(4) 0.044(4) Uani 1 1 d . . . . .
C96 C 0.1002(8) 1.1488(7) 0.2938(5) 0.055(4) Uani 1 1 d . . . . .
H96 H 0.148527 1.148066 0.300485 0.066 Uiso 1 1 calc R U . . .
C97 C 0.0900(9) 1.1909(7) 0.2798(5) 0.063(5) Uani 1 1 d . . . . .
H97 H 0.131847 1.220992 0.277775 0.075 Uiso 1 1 calc R U . . .
C98 C 0.0205(10) 1.1915(8) 0.2683(5) 0.065(5) Uani 1 1 d . . . . .
H98 H 0.013593 1.220878 0.258074 0.078 Uiso 1 1 calc R U . . .
C99 C -0.0390(9) 1.1475(7) 0.2723(4) 0.054(4) Uani 1 1 d . . . . .
H99 H -0.087521 1.146031 0.263073 0.065 Uiso 1 1 calc R U . . .
C100 C -0.0315(8) 1.1066(6) 0.2888(4) 0.041(3) Uani 1 1 d . . . . .
H100 H -0.072854 1.079067 0.293675 0.049 Uiso 1 1 calc R U . . .
C101 C -0.2841(9) 0.6738(8) 0.3373(5) 0.061(4) Uani 1 1 d . . . . .
C102 C -0.2408(9) 0.6697(7) 0.3708(5) 0.057(4) Uani 1 1 d . . . . .
H102 H -0.188335 0.685818 0.378345 0.069 Uiso 1 1 calc R U . . .
C103 C -0.2889(12) 0.6376(9) 0.3911(6) 0.089(7) Uani 1 1 d . . . . .
H103 H -0.274889 0.629522 0.415113 0.107 Uiso 1 1 calc R U . . .
C104 C -0.3620(10) 0.6195(9) 0.3689(6) 0.083(6) Uani 1 1 d . . . . .
H104 H -0.405201 0.596036 0.375174 0.099 Uiso 1 1 calc R U . . .
C105 C -0.3604(8) 0.6419(8) 0.3360(6) 0.076(6) Uani 1 1 d . . . . .
H105 H -0.401824 0.636868 0.316738 0.091 Uiso 1 1 calc R U . . .
C106 C -0.2273(9) 0.5402(7) 0.3204(6) 0.069(5) Uani 1 1 d . . . . .
C107 C -0.2918(11) 0.5066(8) 0.3335(7) 0.084(6) Uani 1 1 d . . . . .
H107 H -0.291884 0.491724 0.355761 0.101 Uiso 1 1 calc R U . . .
C108 C -0.3525(12) 0.5013(10) 0.3065(9) 0.108(8) Uani 1 1 d . . . . .
H108 H -0.401849 0.481945 0.308525 0.129 Uiso 1 1 calc R U . . .
C109 C -0.3361(10) 0.5265(10) 0.2759(7) 0.101(8) Uani 1 1 d . . . . .
H109 H -0.369563 0.526172 0.254058 0.122 Uiso 1 1 calc R U . . .
C110 C -0.2590(9) 0.5522(8) 0.2850(5) 0.069(5) Uani 1 1 d . . . . .
H110 H -0.230711 0.574497 0.270247 0.082 Uiso 1 1 calc R U . . .
C111 C -0.1319(9) 0.5522(8) 0.3914(6) 0.072(5) Uani 1 1 d . . . . .
C112 C -0.1271(10) 0.5970(7) 0.4234(6) 0.069(5) Uani 1 1 d . . . . .
H112 H -0.120744 0.633511 0.419610 0.083 Uiso 1 1 calc R U . . .
C113 C -0.1313(11) 0.5904(10) 0.4603(6) 0.084(6) Uani 1 1 d . . . . .
H113 H -0.129235 0.621387 0.481935 0.101 Uiso 1 1 calc R U . . .
C114 C -0.1384(12) 0.5393(10) 0.4654(7) 0.094(7) Uani 1 1 d . . . . .
H114 H -0.142064 0.534610 0.491099 0.113 Uiso 1 1 calc R U . . .
C115 C -0.1408(16) 0.4936(10) 0.4360(7) 0.136(11) Uani 1 1 d . . . . .
H115 H -0.146260 0.457754 0.440854 0.164 Uiso 1 1 calc R U . . .
C116 C -0.1346(11) 0.5013(7) 0.3974(6) 0.082(6) Uani 1 1 d . . . . .
H116 H -0.132542 0.471283 0.376333 0.098 Uiso 1 1 calc R U . . .
C117 C -0.1058(11) 0.5015(8) 0.3145(6) 0.076(6) Uani 1 1 d . . . . .
C118 C -0.0352(13) 0.5031(9) 0.3243(7) 0.090(7) Uani 1 1 d . . . . .
H118 H 0.000372 0.535877 0.343453 0.108 Uiso 1 1 calc R U . . .
C119 C -0.0148(12) 0.4579(10) 0.3068(7) 0.084(6) Uani 1 1 d . . . . .
H119 H 0.033530 0.457883 0.314735 0.101 Uiso 1 1 calc R U . . .
C120 C -0.0695(19) 0.4100(11) 0.2759(9) 0.123(10) Uani 1 1 d . . . . .
H120 H -0.057259 0.378497 0.262352 0.147 Uiso 1 1 calc R U . . .
C121 C -0.1368(15) 0.4114(9) 0.2670(8) 0.108(8) Uani 1 1 d . . . . .
H121 H -0.172172 0.379147 0.247257 0.129 Uiso 1 1 calc R U . . .
C122 C -0.1603(14) 0.4560(8) 0.2840(6) 0.093(7) Uani 1 1 d . . . . .
H122 H -0.208537 0.455988 0.275935 0.112 Uiso 1 1 calc R U . . .
C123 C -0.3220(8) 0.7140(7) 0.2074(4) 0.054(5) Uani 1 1 d . . . . .
C124 C -0.3920(8) 0.6676(8) 0.1898(5) 0.070(5) Uani 1 1 d . . . . .
H124 H -0.415979 0.637864 0.200785 0.084 Uiso 1 1 calc R U . . .
C125 C -0.4186(8) 0.6753(8) 0.1522(5) 0.065(5) Uani 1 1 d . . . . .
H125 H -0.463655 0.651183 0.134273 0.077 Uiso 1 1 calc R U . . .
C126 C -0.3680(8) 0.7233(7) 0.1467(4) 0.053(4) Uani 1 1 d . . . . .
H126 H -0.372858 0.737808 0.124565 0.064 Uiso 1 1 calc R U . . .
C127 C -0.3074(7) 0.7473(7) 0.1798(4) 0.044(4) Uani 1 1 d . . . . .
H127 H -0.264474 0.779951 0.183035 0.053 Uiso 1 1 calc R U . . .
C128 C -0.2533(8) 0.6556(6) 0.1094(4) 0.045(4) Uani 1 1 d . . . . .
C129 C -0.3223(8) 0.6084(6) 0.0953(5) 0.051(4) Uani 1 1 d . . . . .
H129 H -0.356322 0.599947 0.071309 0.061 Uiso 1 1 calc R U . . .
C130 C -0.3309(9) 0.5772(7) 0.1226(5) 0.062(5) Uani 1 1 d . . . . .
H130 H -0.372382 0.544193 0.120661 0.074 Uiso 1 1 calc R U . . .
C131 C -0.2649(8) 0.6036(8) 0.1553(5) 0.062(5) Uani 1 1 d . . . . .
H131 H -0.256076 0.590603 0.177780 0.075 Uiso 1 1 calc R U . . .
C132 C -0.2180(8) 0.6514(6) 0.1467(4) 0.045(4) Uani 1 1 d . . . . .
H132 H -0.171278 0.676808 0.162432 0.054 Uiso 1 1 calc R U . . .
C133 C -0.1668(6) 0.6726(6) 0.0512(4) 0.043(4) Uani 1 1 d . . . . .
C134 C -0.1254(7) 0.6443(6) 0.0658(5) 0.047(4) Uani 1 1 d . . . . .
H134 H -0.117580 0.646485 0.093286 0.057 Uiso 1 1 calc R U . . .
C135 C -0.0953(8) 0.6123(6) 0.0394(5) 0.055(4) Uani 1 1 d . . . . .
H135 H -0.068964 0.590463 0.048191 0.067 Uiso 1 1 calc R U . . .
C136 C -0.1045(9) 0.6131(8) 0.0001(5) 0.065(5) Uani 1 1 d . . . . .
H136 H -0.082841 0.592195 -0.017799 0.078 Uiso 1 1 calc R U . . .
C137 C -0.1408(10) 0.6407(9) -0.0131(6) 0.077(6) Uani 1 1 d . . . . .
H137 H -0.146369 0.638846 -0.040576 0.092 Uiso 1 1 calc R U . . .
C138 C -0.1722(9) 0.6730(8) 0.0108(5) 0.064(5) Uani 1 1 d . . . . .
H138 H -0.196738 0.694991 0.000670 0.076 Uiso 1 1 calc R U . . .
C139 C -0.2870(9) 0.7189(9) 0.0557(7) 0.076(6) Uani 1 1 d . . . . .
C140 C -0.2962(9) 0.7695(8) 0.0665(7) 0.082(6) Uani 1 1 d . . . . .
H140 H -0.264518 0.799259 0.089026 0.098 Uiso 1 1 calc R U . . .
C141 C -0.3549(15) 0.7778(15) 0.0433(11) 0.144(13) Uani 1 1 d . . . . .
H141 H -0.360626 0.814103 0.048848 0.173 Uiso 1 1 calc R U . . .
C142 C -0.4030(15) 0.7320(17) 0.0127(12) 0.147(15) Uani 1 1 d . . . . .
H142 H -0.444311 0.735943 -0.001804 0.177 Uiso 1 1 calc R U . . .
C143 C -0.3922(14) 0.6844(16) 0.0037(10) 0.145(13) Uani 1 1 d . . . . .
H143 H -0.426536 0.653270 -0.017127 0.174 Uiso 1 1 calc R U . . .
C144 C -0.3356(10) 0.6769(10) 0.0223(7) 0.091(7) Uani 1 1 d . . . . .
H144 H -0.327263 0.642005 0.012786 0.109 Uiso 1 1 calc R U . . .
Al1 Al 0.6892(2) 0.3511(2) -0.03831(13) 0.0501(12) Uani 1 1 d D . . . .
F1 F 0.8572(7) 0.4208(6) -0.1148(4) 0.114(4) Uani 1 1 d D . . . .
F2 F 0.7455(6) 0.3973(6) -0.1054(4) 0.129(5) Uani 1 1 d D . . . .
F3 F 0.8255(7) 0.4775(5) -0.0715(4) 0.109(4) Uani 1 1 d D . . . .
F4 F 0.7997(6) 0.3092(5) -0.1087(3) 0.093(4) Uani 1 1 d D . . . .
F5 F 0.8453(6) 0.3054(5) -0.0544(3) 0.091(3) Uani 1 1 d D . . . .
F6 F 0.9134(6) 0.3497(6) -0.0895(4) 0.136(6) Uani 1 1 d D . . . .
F7 F 0.9589(6) 0.4613(5) -0.0449(4) 0.123(5) Uani 1 1 d D . . . .
F8 F 0.8937(5) 0.4763(4) 0.0000(3) 0.099(4) Uani 1 1 d D . . . .
F9 F 0.9388(6) 0.4100(5) -0.0056(4) 0.109(4) Uani 1 1 d D . . . .
F10 F 0.4654(6) 0.2034(5) -0.1136(4) 0.135(6) Uani 1 1 d D . . . .
F11 F 0.5034(5) 0.2943(4) -0.0836(3) 0.065(3) Uani 1 1 d D . . . .
F12 F 0.5343(6) 0.2384(5) -0.0557(4) 0.109(4) Uani 1 1 d D . . . .
F13 F 0.5882(5) 0.3378(4) -0.1305(3) 0.074(3) Uani 1 1 d D . . . .
F14 F 0.5159(6) 0.2546(6) -0.1670(3) 0.117(5) Uani 1 1 d D . . . .
F15 F 0.6338(7) 0.2802(7) -0.1646(3) 0.135(6) Uani 1 1 d D . . . .
F16 F 0.6723(6) 0.2114(6) -0.1335(4) 0.143(7) Uani 1 1 d D . . . .
F17 F 0.5580(6) 0.1681(5) -0.1584(4) 0.123(5) Uani 1 1 d D . . . .
F18 F 0.6014(8) 0.1730(5) -0.0973(5) 0.163(8) Uani 1 1 d D . . . .
F19 F 0.5757(6) 0.4758(5) 0.0365(3) 0.102(4) Uani 1 1 d D . . . .
F20 F 0.5629(6) 0.3874(5) 0.0185(3) 0.095(4) Uani 1 1 d D . . . .
F21 F 0.6681(6) 0.4488(5) 0.0492(3) 0.095(4) Uani 1 1 d D . . . .
F22 F 0.5016(5) 0.4110(4) -0.0428(3) 0.088(3) Uani 1 1 d D . . . .
F23 F 0.5683(6) 0.4397(5) -0.0818(3) 0.094(4) Uani 1 1 d D . . . .
F24 F 0.5600(6) 0.5023(4) -0.0317(3) 0.094(3) Uani 1 1 d D . . . .
F25 F 0.7580(5) 0.4890(4) 0.0037(3) 0.101(4) Uani 1 1 d D . . . .
F26 F 0.7054(6) 0.5129(5) -0.0446(3) 0.101(4) Uani 1 1 d D . . . .
F27 F 0.6941(5) 0.5431(4) 0.0170(4) 0.103(4) Uani 1 1 d D . . . .
F28 F 0.5767(6) 0.2829(6) 0.0424(4) 0.124(5) Uani 1 1 d D . . . .
F29 F 0.6569(8) 0.3544(7) 0.0857(4) 0.141(6) Uani 1 1 d D . . . .
F30 F 0.6550(9) 0.2678(7) 0.0830(5) 0.163(7) Uani 1 1 d D . . . .
F31 F 0.7874(7) 0.4006(6) 0.0640(4) 0.116(4) Uani 1 1 d D . . . .
F32 F 0.7947(8) 0.3328(7) 0.0893(4) 0.145(6) Uani 1 1 d D . . . .
F33 F 0.8277(6) 0.3375(7) 0.0340(4) 0.125(5) Uani 1 1 d D . . . .
F34 F 0.6287(8) 0.2082(6) 0.0009(5) 0.147(6) Uani 1 1 d D . . . .
F35 F 0.7391(9) 0.2284(6) 0.0339(5) 0.156(6) Uani 1 1 d D . . . .
F36 F 0.7256(8) 0.2456(6) -0.0209(4) 0.123(5) Uani 1 1 d D . . . .
O1 O 0.7818(4) 0.3836(4) -0.0364(3) 0.058(3) Uani 1 1 d D . . . .
O2 O 0.6519(5) 0.2936(4) -0.0809(3) 0.062(3) Uani 1 1 d D . . . .
O3 O 0.6430(4) 0.3980(3) -0.0385(3) 0.043(2) Uani 1 1 d D . . . .
O4 O 0.6778(6) 0.3302(5) 0.0040(3) 0.078(4) Uani 1 1 d D . . . .
C145 C 0.8377(6) 0.3945(5) -0.0558(4) 0.061(5) Uani 1 1 d D . . . .
C146 C 0.8184(9) 0.4232(8) -0.0873(5) 0.098(7) Uani 1 1 d D . . . .
C147 C 0.8469(8) 0.3381(7) -0.0761(5) 0.075(6) Uani 1 1 d D . . . .
C148 C 0.9074(8) 0.4358(7) -0.0286(5) 0.088(7) Uani 1 1 d D . . . .
C149 C 0.5931(6) 0.2590(5) -0.1087(4) 0.073(6) Uani 1 1 d D . . . .
C150 C 0.5235(7) 0.2498(7) -0.0901(5) 0.086(7) Uani 1 1 d D . . . .
C151 C 0.5832(8) 0.2842(7) -0.1429(4) 0.079(6) Uani 1 1 d D . . . .
C152 C 0.6051(8) 0.2015(7) -0.1245(5) 0.112(10) Uani 1 1 d D . . . .
C153 C 0.6308(6) 0.4450(5) -0.0193(3) 0.050(4) Uani 1 1 d D . . . .
C154 C 0.6100(8) 0.4412(7) 0.0229(5) 0.085(6) Uani 1 1 d D . . . .
C155 C 0.5634(8) 0.4498(6) -0.0439(5) 0.076(6) Uani 1 1 d D . . . .
C156 C 0.6978(8) 0.4978(6) -0.0109(4) 0.082(6) Uani 1 1 d D . . . .
C157 C 0.6972(8) 0.3068(6) 0.0319(4) 0.082(6) Uani 1 1 d D . . . .
C158 C 0.6444(10) 0.3015(9) 0.0613(6) 0.136(13) Uani 1 1 d D . . . .
C159 C 0.7788(9) 0.3464(8) 0.0562(5) 0.091(7) Uani 1 1 d D . . . .
C160 C 0.6963(9) 0.2461(7) 0.0114(5) 0.120(9) Uani 1 1 d D . . . .
Al2 Al 0.6931(3) 0.0791(2) 0.12815(13) 0.0544(12) Uani 1 1 d D U . . .
F37 F 0.4681(8) 0.0455(7) 0.1615(4) 0.143(5) Uani 1 1 d D U . . .
F38 F 0.4719(8) 0.0042(6) 0.1024(4) 0.140(5) Uani 1 1 d D U . . .
F39 F 0.4203(7) 0.0667(7) 0.1131(5) 0.158(6) Uani 1 1 d D U . . .
F40 F 0.5143(8) 0.0797(7) 0.0607(4) 0.164(6) Uani 1 1 d D U . . .
F41 F 0.5147(9) 0.1573(7) 0.0960(5) 0.161(6) Uani 1 1 d D U . . .
F42 F 0.6154(8) 0.1494(6) 0.0876(4) 0.135(5) Uani 1 1 d D U . . .
F43 F 0.5845(8) 0.1339(7) 0.2002(4) 0.150(6) Uani 1 1 d D U . . .
F44 F 0.5052(8) 0.1607(6) 0.1738(5) 0.154(5) Uani 1 1 d D U . . .
F45 F 0.6175(8) 0.1967(6) 0.1669(5) 0.168(7) Uani 1 1 d D U . . .
F46 F 0.6203(9) -0.0882(6) 0.1844(4) 0.144(5) Uani 1 1 d D U . . .
F47 F 0.5938(7) -0.0749(6) 0.1274(4) 0.128(5) Uani 1 1 d D U . . .
F48 F 0.5703(7) -0.0263(6) 0.1769(4) 0.130(5) Uani 1 1 d D U . . .
F49 F 0.6804(9) 0.0747(6) 0.2167(4) 0.153(5) Uani 1 1 d D U . . .
F50 F 0.7834(8) 0.0673(7) 0.2287(4) 0.183(7) Uani 1 1 d D U . . .
F51 F 0.6874(8) 0.0111(6) 0.2414(3) 0.136(5) Uani 1 1 d D U . . .
F52 F 0.8170(7) -0.0058(7) 0.1685(5) 0.167(6) Uani 1 1 d D U . . .
F53 F 0.7594(9) -0.0557(7) 0.2035(4) 0.146(5) Uani 1 1 d D U . . .
F54 F 0.7243(8) -0.0822(7) 0.1373(4) 0.144(5) Uani 1 1 d D U . . .
F55 F 0.8093(7) 0.1919(5) 0.0939(3) 0.106(4) Uani 1 1 d D U . . .
F56 F 0.7508(7) 0.2313(6) 0.1299(4) 0.125(4) Uani 1 1 d D U . . .
F57 F 0.8686(6) 0.2712(5) 0.1380(4) 0.112(4) Uani 1 1 d D U . . .
F58 F 0.8335(7) 0.1979(5) 0.2292(3) 0.112(4) Uani 1 1 d D U . . .
F59 F 0.7879(9) 0.2508(7) 0.2072(4) 0.155(6) Uani 1 1 d D U . . .
F60 F 0.9036(9) 0.2692(7) 0.2122(4) 0.181(7) Uani 1 1 d D U . . .
F61 F 0.8957(9) 0.1397(7) 0.1822(4) 0.158(5) Uani 1 1 d D U . . .
F62 F 0.8741(7) 0.1273(7) 0.1203(4) 0.142(5) Uani 1 1 d D U . . .
F63 F 0.9438(8) 0.2040(7) 0.1514(5) 0.179(6) Uani 1 1 d D U . . .
F64 F 0.5852(9) 0.0334(7) 0.0091(5) 0.184(7) Uani 1 1 d D U . . .
F65 F 0.6829(8) 0.1023(5) 0.0190(4) 0.129(5) Uani 1 1 d D U . . .
F66 F 0.6673(10) 0.0208(6) -0.0249(4) 0.176(7) Uani 1 1 d D U . . .
F67 F 0.8039(8) 0.0765(5) 0.0277(4) 0.140(5) Uani 1 1 d D U . . .
F68 F 0.8064(7) 0.0197(6) 0.0631(5) 0.140(5) Uani 1 1 d D U . . .
F69 F 0.7576(9) -0.0164(6) 0.0022(4) 0.157(6) Uani 1 1 d D U . . .
F70 F 0.5854(6) -0.0338(5) 0.0589(4) 0.102(4) Uani 1 1 d D U . . .
F71 F 0.6779(6) -0.0614(5) 0.0579(3) 0.094(3) Uani 1 1 d D U . . .
F72 F 0.6147(8) -0.0688(5) 0.0028(3) 0.126(5) Uani 1 1 d D U . . .
O5 O 0.6069(6) 0.0809(6) 0.1309(3) 0.090(3) Uani 1 1 d D U . . .
O6 O 0.7011(7) 0.0249(5) 0.1474(3) 0.084(3) Uani 1 1 d D U . . .
O7 O 0.7580(6) 0.1431(5) 0.1542(3) 0.084(3) Uani 1 1 d D U . . .
O8 O 0.7018(6) 0.0622(4) 0.0793(3) 0.069(3) Uani 1 1 d D U . . .
C161 C 0.5528(8) 0.1017(6) 0.1310(4) 0.101(4) Uani 1 1 d D U . . .
C162 C 0.4785(10) 0.0548(8) 0.1278(6) 0.113(5) Uani 1 1 d D U . . .
C163 C 0.5448(10) 0.1212(8) 0.0935(5) 0.119(5) Uani 1 1 d D U . . .
C164 C 0.5677(10) 0.1470(8) 0.1687(6) 0.126(5) Uani 1 1 d D U . . .
C165 C 0.6992(8) -0.0028(6) 0.1746(4) 0.092(4) Uani 1 1 d D U . . .
C166 C 0.6184(9) -0.0491(7) 0.1653(5) 0.097(5) Uani 1 1 d D U . . .
C167 C 0.7134(10) 0.0370(8) 0.2153(5) 0.116(5) Uani 1 1 d D U . . .
C168 C 0.7510(9) -0.0380(7) 0.1704(5) 0.116(5) Uani 1 1 d D U . . .
C169 C 0.8213(8) 0.1870(6) 0.1607(4) 0.097(4) Uani 1 1 d D U . . .
C170 C 0.8160(9) 0.2222(7) 0.1301(5) 0.099(5) Uani 1 1 d D U . . .
C171 C 0.8371(10) 0.2267(8) 0.2032(5) 0.109(5) Uani 1 1 d D U . . .
C172 C 0.8829(10) 0.1654(7) 0.1550(5) 0.120(5) Uani 1 1 d D U . . .
C173 C 0.6890(8) 0.0264(6) 0.0431(4) 0.085(4) Uani 1 1 d D U . . .
C174 C 0.6542(11) 0.0451(7) 0.0097(5) 0.111(5) Uani 1 1 d D U . . .
C175 C 0.7676(10) 0.0276(8) 0.0331(5) 0.109(5) Uani 1 1 d D U . . .
C176 C 0.6403(8) -0.0352(7) 0.0403(4) 0.087(4) Uani 1 1 d D U . . .
Al3 Al 0.8356(2) 0.2615(2) 0.40370(13) 0.0504(11) Uani 1 1 d D U . . .
F73 F 0.6733(7) 0.2611(7) 0.4008(4) 0.149(6) Uani 1 1 d D U . . .
F74 F 0.6266(6) 0.1950(5) 0.3438(4) 0.123(4) Uani 1 1 d D U . . .
F75 F 0.6021(6) 0.2737(6) 0.3545(4) 0.138(5) Uani 1 1 d D U . . .
F76 F 0.7112(7) 0.1989(5) 0.2905(3) 0.104(4) Uani 1 1 d D U . . .
F77 F 0.6414(7) 0.2456(6) 0.2839(4) 0.131(5) Uani 1 1 d D U . . .
F78 F 0.7566(7) 0.2849(6) 0.2844(4) 0.137(5) Uani 1 1 d D U . . .
F79 F 0.8087(8) 0.3677(6) 0.3512(5) 0.144(5) Uani 1 1 d D U . . .
F80 F 0.6969(9) 0.3576(6) 0.3330(4) 0.155(6) Uani 1 1 d D U . . .
F81 F 0.7342(9) 0.3614(6) 0.3936(4) 0.144(5) Uani 1 1 d D U . . .
F82 F 0.8042(9) 0.3855(6) 0.5362(3) 0.148(5) Uani 1 1 d D U . . .
F83 F 0.7098(7) 0.3249(6) 0.4857(4) 0.138(5) Uani 1 1 d D U . . .
F84 F 0.7930(9) 0.3945(6) 0.4774(4) 0.132(5) Uani 1 1 d D U . . .
F85 F 0.9273(8) 0.4010(5) 0.5036(4) 0.141(5) Uani 1 1 d D U . . .
F86 F 0.9468(7) 0.3181(6) 0.4922(4) 0.128(5) Uani 1 1 d D U . . .
F87 F 0.9180(7) 0.3481(7) 0.5448(3) 0.140(5) Uani 1 1 d D U . . .
F88 F 0.7781(7) 0.2747(5) 0.5357(3) 0.116(4) Uani 1 1 d D U . . .
F89 F 0.8418(8) 0.2342(6) 0.5001(3) 0.121(4) Uani 1 1 d D U . . .
F90 F 0.7284(6) 0.2262(5) 0.4753(3) 0.111(4) Uani 1 1 d D U . . .
F91 F 1.0257(7) 0.3204(6) 0.3262(3) 0.125(5) Uani 1 1 d D U . . .
F92 F 0.9272(7) 0.2519(5) 0.3218(3) 0.118(4) Uani 1 1 d D U . . .
F93 F 0.9245(8) 0.3352(6) 0.3329(4) 0.125(4) Uani 1 1 d D U . . .
F94 F 0.9469(8) 0.3919(5) 0.4136(4) 0.136(5) Uani 1 1 d D U . . .
F95 F 1.0409(7) 0.3912(6) 0.4469(4) 0.137(5) Uani 1 1 d D U . . .
F96 F 1.0451(9) 0.4125(6) 0.3916(4) 0.155(6) Uani 1 1 d D U . . .
F97 F 1.0509(8) 0.2879(6) 0.4334(4) 0.139(5) Uani 1 1 d D U . . .
F98 F 1.1124(6) 0.3340(6) 0.3935(5) 0.147(5) Uani 1 1 d D U . . .
F99 F 1.0395(7) 0.2460(5) 0.3703(4) 0.124(4) Uani 1 1 d D U . . .
F100 F 0.7965(6) 0.0673(4) 0.3326(3) 0.089(3) Uani 1 1 d D U . . .
F101 F 0.7152(6) 0.1085(6) 0.3305(3) 0.119(4) Uani 1 1 d D U . . .
F102 F 0.8298(8) 0.1547(5) 0.3309(4) 0.131(5) Uani 1 1 d D U . . .
F103 F 0.9203(8) 0.1482(8) 0.3841(5) 0.190(7) Uani 1 1 d D U . . .
F104 F 0.8952(9) 0.1578(8) 0.4454(4) 0.199(7) Uani 1 1 d D U . . .
F105 F 0.8632(11) 0.0763(7) 0.4038(5) 0.192(7) Uani 1 1 d D U . . .
F106 F 0.6804(7) 0.1238(7) 0.4010(4) 0.165(7) Uani 1 1 d D U . . .
F107 F 0.7499(10) 0.1086(6) 0.4438(4) 0.173(6) Uani 1 1 d D U . . .
F108 F 0.7103(10) 0.0468(6) 0.3843(4) 0.202(8) Uani 1 1 d D U . . .
O9 O 0.7790(6) 0.2650(5) 0.3636(3) 0.071(3) Uani 1 1 d D U . . .
O10 O 0.8235(6) 0.3025(5) 0.4468(3) 0.070(3) Uani 1 1 d D U . . .
O11 O 0.9239(5) 0.2835(5) 0.3981(3) 0.071(3) Uani 1 1 d D U . . .
O12 O 0.8113(6) 0.1923(4) 0.4052(3) 0.074(3) Uani 1 1 d D U . . .
C177 C 0.7258(8) 0.2776(6) 0.3455(4) 0.090(4) Uani 1 1 d D U . . .
C178 C 0.6548(10) 0.2537(8) 0.3627(6) 0.113(5) Uani 1 1 d D U . . .
C179 C 0.7049(10) 0.2478(8) 0.3007(5) 0.110(5) Uani 1 1 d D U . . .
C180 C 0.7447(10) 0.3410(8) 0.3553(5) 0.125(5) Uani 1 1 d D U . . .
C181 C 0.8261(8) 0.3164(6) 0.4861(4) 0.091(4) Uani 1 1 d D U . . .
C182 C 0.7807(10) 0.3552(8) 0.4966(5) 0.117(5) Uani 1 1 d D U . . .
C183 C 0.9067(10) 0.3489(8) 0.5073(5) 0.121(5) Uani 1 1 d D U . . .
C184 C 0.7924(8) 0.2613(7) 0.4988(4) 0.107(5) Uani 1 1 d D U . . .
C185 C 0.9850(7) 0.3150(6) 0.3887(4) 0.089(4) Uani 1 1 d D U . . .
C186 C 0.9685(10) 0.3076(8) 0.3417(5) 0.096(5) Uani 1 1 d D U . . .
C187 C 1.0065(10) 0.3790(7) 0.4104(5) 0.107(5) Uani 1 1 d D U . . .
C188 C 1.0478(9) 0.2956(6) 0.3969(5) 0.111(5) Uani 1 1 d D U . . .
C189 C 0.7995(8) 0.1368(6) 0.3906(4) 0.090(4) Uani 1 1 d D U . . .
C190 C 0.7863(9) 0.1154(7) 0.3451(5) 0.090(4) Uani 1 1 d D U . . .
C191 C 0.8742(11) 0.1300(9) 0.4070(6) 0.134(5) Uani 1 1 d D U . . .
C192 C 0.7320(11) 0.1011(7) 0.4048(5) 0.130(5) Uani 1 1 d D U . . .
Al4 Al 0.5411(2) 0.8362(2) 0.37423(15) 0.0548(12) Uani 1 1 d D U . A 1
F109 F 0.6791(6) 0.8383(7) 0.2944(5) 0.174(6) Uani 1 1 d D U . A 1
F110 F 0.6132(9) 0.8319(8) 0.2356(5) 0.201(8) Uani 1 1 d D U . A 1
F111 F 0.5754(7) 0.7662(5) 0.2589(5) 0.155(6) Uani 1 1 d D U . A 1
F112 F 0.5196(8) 0.8759(7) 0.2412(4) 0.167(6) Uani 1 1 d D U . A 1
F113 F 0.4549(6) 0.8649(7) 0.2853(4) 0.135(5) Uani 1 1 d D U . A 1
F114 F 0.4647(7) 0.7922(7) 0.2487(4) 0.184(7) Uani 1 1 d D U . A 1
F115 F 0.6698(6) 0.9268(5) 0.3408(3) 0.089(3) Uani 1 1 d D U . A 1
F116 F 0.5861(8) 0.9519(6) 0.3161(5) 0.165(6) Uani 1 1 d D U . A 1
F117 F 0.6635(8) 0.9271(8) 0.2810(4) 0.174(7) Uani 1 1 d D U . A 1
F118 F 0.3992(6) 0.9714(5) 0.4059(5) 0.171(6) Uani 1 1 d D U . A 1
F119 F 0.3519(4) 0.8817(5) 0.3972(3) 0.079(3) Uani 1 1 d D U . A 1
F120 F 0.4056(6) 0.9118(6) 0.3546(3) 0.116(4) Uani 1 1 d D U . A 1
F121 F 0.5374(6) 0.9934(6) 0.3837(4) 0.130(5) Uani 1 1 d D U . A 1
F122 F 0.5454(6) 1.0212(5) 0.4455(4) 0.147(6) Uani 1 1 d D U . A 1
F123 F 0.6122(4) 0.9764(3) 0.4230(2) 0.055(2) Uani 1 1 d D U . A 1
F124 F 0.4467(10) 0.9240(9) 0.4752(6) 0.062(5) Uani 0.437(8) 1 d D U P A 1
F125 F 0.4541(9) 0.8438(6) 0.4432(5) 0.056(5) Uani 0.437(8) 1 d D U P A 1
F126 F 0.5535(7) 0.9164(7) 0.4713(5) 0.054(4) Uani 0.437(8) 1 d D U P A 1
F127 F 0.7102(8) 0.8067(7) 0.4721(5) 0.174(6) Uani 1 1 d D U . A 1
F128 F 0.5976(7) 0.8152(7) 0.4637(4) 0.129(4) Uani 1 1 d D U . A 1
F129 F 0.6245(5) 0.7524(4) 0.4220(4) 0.095(3) Uani 1 1 d D U . A 1
F130 F 0.6746(7) 0.7799(5) 0.3679(5) 0.152(5) Uani 1 1 d D U . A 1
F131 F 0.7525(8) 0.7932(6) 0.4121(6) 0.189(6) Uani 1 1 d D U . A 1
F132 F 0.7743(7) 0.8724(6) 0.3898(5) 0.144(5) Uani 1 1 d D U . A 1
F133 F 0.7023(8) 0.9178(7) 0.4810(4) 0.104(5) Uani 0.713(9) 1 d D U P A 1
F134 F 0.8028(5) 0.9043(4) 0.4641(3) 0.041(3) Uani 0.713(9) 1 d D U P A 1
F135 F 0.7487(5) 0.9476(4) 0.4325(3) 0.047(3) Uani 0.713(9) 1 d D U P A 1
F136 F 0.4570(8) 0.6980(7) 0.4181(4) 0.197(8) Uani 1 1 d D U . A 1
F137 F 0.3766(6) 0.6291(5) 0.3669(4) 0.129(5) Uani 1 1 d D U . A 1
F138 F 0.4920(7) 0.6557(6) 0.3632(5) 0.164(6) Uani 1 1 d D U . A 1
F139 F 0.3778(10) 0.6325(8) 0.3016(6) 0.237(9) Uani 1 1 d D U . A 1
F140 F 0.4931(9) 0.6841(8) 0.3112(6) 0.214(8) Uani 1 1 d D U . A 1
F141 F 0.4061(9) 0.7114(7) 0.2908(5) 0.204(8) Uani 1 1 d D U . A 1
F142 F 0.3660(14) 0.7786(8) 0.3992(8) 0.125(8) Uani 0.437(8) 1 d D U P A 1
F143 F 0.3046(14) 0.7002(12) 0.3506(7) 0.111(7) Uani 0.437(8) 1 d D U P A 1
F144 F 0.3468(12) 0.6968(10) 0.4098(7) 0.106(7) Uani 0.437(8) 1 d D U P A 1
O13 O 0.5480(6) 0.8385(6) 0.3266(3) 0.094(3) Uani 1 1 d D U . A 1
O14 O 0.4962(5) 0.8799(5) 0.3916(4) 0.081(3) Uani 1 1 d D U . A 1
O15 O 0.6273(4) 0.8585(4) 0.4019(3) 0.055(2) Uani 1 1 d D U . A 1
O16 O 0.4938(5) 0.7673(4) 0.3736(3) 0.066(3) Uani 1 1 d D U . A 1
C193 C 0.5704(7) 0.8546(6) 0.2960(4) 0.098(4) Uani 1 1 d D U . A 1
C194 C 0.6134(10) 0.8213(8) 0.2723(6) 0.139(6) Uani 1 1 d D U . A 1
C195 C 0.5039(9) 0.8523(8) 0.2679(5) 0.110(5) Uani 1 1 d D U . A 1
C196 C 0.6253(9) 0.9152(8) 0.3094(5) 0.115(5) Uani 1 1 d D U . A 1
C197 C 0.4843(6) 0.9242(5) 0.4144(4) 0.066(3) Uani 1 1 d D U . A 1
C198 C 0.4093(7) 0.9212(7) 0.3927(5) 0.074(4) Uani 1 1 d D U . A 1
C199 C 0.5448(7) 0.9784(6) 0.4161(5) 0.073(4) Uani 1 1 d D U . A 1
C200 C 0.4840(9) 0.9013(7) 0.4514(5) 0.063(4) Uani 0.437(8) 1 d D U P A 1
C201 C 0.6811(7) 0.8509(6) 0.4238(4) 0.084(3) Uani 1 1 d D U . A 1
C202 C 0.6548(10) 0.8037(8) 0.4462(5) 0.112(4) Uani 1 1 d D U . A 1
C203 C 0.7224(10) 0.8238(7) 0.3932(6) 0.128(5) Uani 1 1 d D U . A 1
C204 C 0.7375(8) 0.9055(7) 0.4493(5) 0.089(4) Uani 0.713(9) 1 d D U P A 1
C205 C 0.4305(8) 0.7207(6) 0.3621(5) 0.113(4) Uani 1 1 d D U . A 1
C206 C 0.4424(9) 0.6728(7) 0.3804(6) 0.127(5) Uani 1 1 d D U . A 1
C207 C 0.4242(12) 0.6863(9) 0.3166(6) 0.163(6) Uani 1 1 d D U . A 1
C208 C 0.3636(12) 0.7249(9) 0.3811(6) 0.112(5) Uani 0.437(8) 1 d D U P A 1
F924 F 0.4394(8) 0.9810(7) 0.4667(5) 0.081(5) Uani 0.563(8) 1 d D U P A 2
F925 F 0.4277(8) 0.8940(7) 0.4652(5) 0.068(4) Uani 0.563(8) 1 d D U P A 2
F926 F 0.5355(7) 0.9603(7) 0.4836(5) 0.072(4) Uani 0.563(8) 1 d D U P A 2
C900 C 0.4704(9) 0.9411(8) 0.4585(7) 0.067(4) Uani 0.563(8) 1 d D U P A 2
F933 F 0.6740(14) 0.9324(10) 0.4867(9) 0.057(7) Uani 0.287(9) 1 d D U P A 2
F934 F 0.6933(14) 0.8580(13) 0.4994(10) 0.079(6) Uani 0.287(9) 1 d D U P A 2
F935 F 0.5838(11) 0.8511(12) 0.4698(9) 0.059(6) Uani 0.287(9) 1 d D U P A 2
C904 C 0.6574(14) 0.8756(12) 0.4737(11) 0.089(4) Uani 0.287(9) 1 d D U P A 2
F942 F 0.3462(11) 0.7477(9) 0.3907(5) 0.113(6) Uani 0.563(8) 1 d D U P A 2
F943 F 0.3039(9) 0.6852(7) 0.3319(5) 0.071(5) Uani 0.563(8) 1 d D U P A 2
F944 F 0.3712(6) 0.7734(5) 0.3375(4) 0.043(4) Uani 0.563(8) 1 d D U P A 2
C908 C 0.3615(19) 0.7398(18) 0.3528(7) 0.102(5) Uani 0.563(8) 1 d D U P A 2
Cl7 Cl 0.8821(3) 0.7389(2) 0.47225(16) 0.0930(16) Uani 1 1 d D U . B 2
Cl8 Cl 0.9408(3) 0.8541(3) 0.44493(15) 0.0901(16) Uani 1 1 d D U . B 2
C209 C 0.9730(8) 0.7677(7) 0.4616(6) 0.081(4) Uani 1 1 d D U . B 2
H20A H 1.007814 0.756346 0.477602 0.098 Uiso 1 1 calc R U . B 2
H20B H 0.971283 0.750134 0.433182 0.098 Uiso 1 1 calc R U . B 2
C210 C 1.0011(9) 0.8280(8) 0.4696(6) 0.085(4) Uani 1 1 d D U . B 2
H21A H 1.049319 0.839526 0.461146 0.102 Uiso 1 1 calc R U . B 2
H21B H 1.009890 0.845819 0.498650 0.102 Uiso 1 1 calc R U . B 2
Cl9 Cl 0.1587(3) 0.8199(2) 0.41672(13) 0.0738(13) Uani 1 1 d D U . C 2
Cl10 Cl 0.1628(3) 0.9501(2) 0.46129(18) 0.0936(17) Uani 1 1 d D U . C 2
C211 C 0.2300(7) 0.8736(6) 0.4562(4) 0.055(3) Uani 1 1 d D U . C 2
H21C H 0.216563 0.870622 0.482086 0.067 Uiso 1 1 calc R U . C 2
H21D H 0.276876 0.866264 0.455178 0.067 Uiso 1 1 calc R U . C 2
C212 C 0.2409(8) 0.9293(7) 0.4537(6) 0.070(4) Uani 1 1 d D U . C 2
H21E H 0.251171 0.931465 0.427076 0.084 Uiso 1 1 calc R U . C 2
H21F H 0.284773 0.956612 0.473858 0.084 Uiso 1 1 calc R U . C 2
Cl11 Cl 0.1955(5) 1.1131(3) 0.2170(2) 0.140(3) Uani 1 1 d D U . D 2
Cl12 Cl 0.0096(6) 1.0112(4) 0.1831(3) 0.197(4) Uani 1 1 d D U . D 2
C213 C 0.1164(11) 1.1031(12) 0.1815(7) 0.181(8) Uani 1 1 d D U . D 2
H21G H 0.125558 1.141388 0.177393 0.217 Uiso 1 1 calc R U . D 2
H21H H 0.121952 1.078822 0.156532 0.217 Uiso 1 1 calc R U . D 2
C214 C 0.0405(13) 1.0821(8) 0.1810(9) 0.186(8) Uani 1 1 d D U . D 2
H21I H 0.013114 1.084283 0.156434 0.223 Uiso 1 1 calc R U . D 2
H21J H 0.029532 1.106634 0.204052 0.223 Uiso 1 1 calc R U . D 2
Cl13 Cl 0.9493(3) 0.0216(3) 0.45210(14) 0.0821(15) Uani 1 1 d D U . E 2
C215 C 1.0185(7) 0.0107(8) 0.4840(4) 0.064(4) Uani 1 1 d D U . E 2
H21K H 1.036755 -0.018018 0.468651 0.077 Uiso 1 1 calc R U . E 2
H21L H 1.060865 0.047049 0.496098 0.077 Uiso 1 1 calc R U . E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P1 Au1 Cl1 175.66(17) . . ?
P1 Au1 Au6 97.55(10) . . ?
Cl1 Au1 Au6 85.90(16) . . ?
P2 Au2 Cl2 170.76(14) . . ?
P2 Au2 Au4 103.01(11) . . ?
Cl2 Au2 Au4 86.22(9) . . ?
P3 Au3 Cl3 176.36(15) . . ?
P4 Au4 Cl4 171.81(14) . . ?
P4 Au4 Au2 105.95(10) . . ?
Cl4 Au4 Au2 82.18(10) . . ?
P5 Au5 Cl5 172.73(14) . . ?
P6 Au6 Cl6 171.4(2) . . ?
P6 Au6 Au1 95.46(10) . . ?
Cl6 Au6 Au1 92.7(2) . . ?
C12 Fe1 C16 41.8(6) . . ?
C12 Fe1 C13 40.2(6) . . ?
C16 Fe1 C13 68.0(7) . . ?
C12 Fe1 C14 66.7(7) . . ?
C16 Fe1 C14 67.0(7) . . ?
C13 Fe1 C14 38.7(6) . . ?
C12 Fe1 C9 110.9(6) . . ?
C16 Fe1 C9 139.1(7) . . ?
C13 Fe1 C9 112.8(7) . . ?
C14 Fe1 C9 140.4(7) . . ?
C12 Fe1 C8 114.7(6) . . ?
C16 Fe1 C8 113.8(6) . . ?
C13 Fe1 C8 142.6(6) . . ?
C14 Fe1 C8 178.5(7) . . ?
C9 Fe1 C8 39.8(6) . . ?
C12 Fe1 C11 175.2(6) . . ?
C16 Fe1 C11 142.4(7) . . ?
C13 Fe1 C11 135.7(6) . . ?
C14 Fe1 C11 111.6(7) . . ?
C9 Fe1 C11 67.3(6) . . ?
C8 Fe1 C11 67.0(6) . . ?
C12 Fe1 C10 136.2(6) . . ?
C16 Fe1 C10 177.7(7) . . ?
C13 Fe1 C10 111.2(7) . . ?
C14 Fe1 C10 113.9(7) . . ?
C9 Fe1 C10 38.9(6) . . ?
C8 Fe1 C10 65.3(6) . . ?
C11 Fe1 C10 39.7(6) . . ?
C12 Fe1 C15 69.4(7) . . ?
C16 Fe1 C15 41.0(6) . . ?
C13 Fe1 C15 67.5(7) . . ?
C14 Fe1 C15 39.8(7) . . ?
C9 Fe1 C15 179.7(8) . . ?
C8 Fe1 C15 140.0(7) . . ?
C11 Fe1 C15 112.4(7) . . ?
C10 Fe1 C15 141.0(7) . . ?
C12 Fe1 C7 143.6(6) . . ?
C16 Fe1 C7 114.7(6) . . ?
C13 Fe1 C7 176.1(6) . . ?
C14 Fe1 C7 139.0(7) . . ?
C9 Fe1 C7 67.2(6) . . ?
C8 Fe1 C7 39.6(5) . . ?
C11 Fe1 C7 40.5(5) . . ?
C10 Fe1 C7 66.2(6) . . ?
C15 Fe1 C7 112.5(7) . . ?
C31 Fe2 C36 130.8(6) . . ?
C31 Fe2 C35 168.6(6) . . ?
C36 Fe2 C35 39.2(6) . . ?
C31 Fe2 C34 149.7(6) . . ?
C36 Fe2 C34 66.3(6) . . ?
C35 Fe2 C34 39.7(5) . . ?
C31 Fe2 C30 41.2(5) . . ?
C36 Fe2 C30 109.2(6) . . ?
C35 Fe2 C30 130.2(6) . . ?
C34 Fe2 C30 168.6(5) . . ?
C31 Fe2 C38 118.4(6) . . ?
C36 Fe2 C38 64.9(6) . . ?
C35 Fe2 C38 65.3(6) . . ?
C34 Fe2 C38 39.2(5) . . ?
C30 Fe2 C38 149.9(5) . . ?
C31 Fe2 C32 38.9(5) . . ?
C36 Fe2 C32 167.5(6) . . ?
C35 Fe2 C32 151.8(6) . . ?
C34 Fe2 C32 119.2(6) . . ?
C30 Fe2 C32 67.6(6) . . ?
C38 Fe2 C32 111.3(6) . . ?
C31 Fe2 C37 110.0(6) . . ?
C36 Fe2 C37 38.5(6) . . ?
C35 Fe2 C37 65.5(6) . . ?
C34 Fe2 C37 66.3(6) . . ?
C30 Fe2 C37 117.3(6) . . ?
C38 Fe2 C37 39.2(6) . . ?
C32 Fe2 C37 131.1(7) . . ?
C31 Fe2 C33 65.6(6) . . ?
C36 Fe2 C33 151.1(6) . . ?
C35 Fe2 C33 120.5(6) . . ?
C34 Fe2 C33 112.6(5) . . ?
C30 Fe2 C33 65.9(6) . . ?
C38 Fe2 C33 133.9(5) . . ?
C32 Fe2 C33 40.0(5) . . ?
C37 Fe2 C33 170.1(6) . . ?
C31 Fe2 C29 67.0(6) . . ?
C36 Fe2 C29 119.0(6) . . ?
C35 Fe2 C29 111.2(6) . . ?
C34 Fe2 C29 132.1(5) . . ?
C30 Fe2 C29 39.6(5) . . ?
C38 Fe2 C29 170.0(5) . . ?
C32 Fe2 C29 66.9(6) . . ?
C37 Fe2 C29 149.4(6) . . ?
C33 Fe2 C29 38.6(5) . . ?
C55 Fe3 C54 38.9(6) . . ?
C55 Fe3 C60 175.4(5) . . ?
C54 Fe3 C60 138.7(6) . . ?
C55 Fe3 C52 65.7(6) . . ?
C54 Fe3 C52 65.7(6) . . ?
C60 Fe3 C52 117.9(6) . . ?
C55 Fe3 C56 135.4(5) . . ?
C54 Fe3 C56 114.6(5) . . ?
C60 Fe3 C56 40.1(5) . . ?
C52 Fe3 C56 149.5(6) . . ?
C55 Fe3 C51 39.8(5) . . ?
C54 Fe3 C51 66.1(5) . . ?
C60 Fe3 C51 144.8(6) . . ?
C52 Fe3 C51 38.9(5) . . ?
C56 Fe3 C51 171.6(5) . . ?
C55 Fe3 C57 110.8(6) . . ?
C54 Fe3 C57 119.0(6) . . ?
C60 Fe3 C57 66.3(6) . . ?
C52 Fe3 C57 168.6(6) . . ?
C56 Fe3 C57 40.3(6) . . ?
C51 Fe3 C57 131.5(6) . . ?
C55 Fe3 C59 143.9(6) . . ?
C54 Fe3 C59 174.8(7) . . ?
C60 Fe3 C59 39.0(6) . . ?
C52 Fe3 C59 110.5(6) . . ?
C56 Fe3 C59 66.6(6) . . ?
C51 Fe3 C59 113.6(6) . . ?
C57 Fe3 C59 65.4(6) . . ?
C55 Fe3 C58 115.1(6) . . ?
C54 Fe3 C58 146.7(7) . . ?
C60 Fe3 C58 65.2(6) . . ?
C52 Fe3 C58 131.6(6) . . ?
C56 Fe3 C58 66.3(6) . . ?
C51 Fe3 C58 108.2(6) . . ?
C57 Fe3 C58 38.7(6) . . ?
C59 Fe3 C58 38.5(6) . . ?
C55 Fe3 C53 66.1(6) . . ?
C54 Fe3 C53 39.5(6) . . ?
C60 Fe3 C53 114.5(6) . . ?
C52 Fe3 C53 39.5(5) . . ?
C56 Fe3 C53 120.0(6) . . ?
C51 Fe3 C53 66.3(6) . . ?
C57 Fe3 C53 150.5(6) . . ?
C59 Fe3 C53 135.4(7) . . ?
C58 Fe3 C53 170.7(6) . . ?
C82 Fe4 C85 115.0(6) . . ?
C82 Fe4 C86 137.5(7) . . ?
C85 Fe4 C86 39.5(5) . . ?
C82 Fe4 C81 39.6(6) . . ?
C85 Fe4 C81 138.9(6) . . ?
C86 Fe4 C81 177.0(6) . . ?
C82 Fe4 C80 65.6(6) . . ?
C85 Fe4 C80 175.9(6) . . ?
C86 Fe4 C80 142.9(5) . . ?
C81 Fe4 C80 39.0(6) . . ?
C82 Fe4 C88 147.3(6) . . ?
C85 Fe4 C88 66.1(6) . . ?
C86 Fe4 C88 65.9(6) . . ?
C81 Fe4 C88 116.4(6) . . ?
C80 Fe4 C88 111.1(5) . . ?
C82 Fe4 C87 174.1(7) . . ?
C85 Fe4 C87 64.9(6) . . ?
C86 Fe4 C87 38.7(5) . . ?
C81 Fe4 C87 144.3(6) . . ?
C80 Fe4 C87 115.0(5) . . ?
C88 Fe4 C87 38.5(5) . . ?
C82 Fe4 C84 118.5(6) . . ?
C85 Fe4 C84 39.3(5) . . ?
C86 Fe4 C84 66.5(5) . . ?
C81 Fe4 C84 113.8(6) . . ?
C80 Fe4 C84 136.6(5) . . ?
C88 Fe4 C84 40.1(5) . . ?
C87 Fe4 C84 65.5(5) . . ?
C82 Fe4 C79 66.0(6) . . ?
C85 Fe4 C79 143.9(6) . . ?
C86 Fe4 C79 113.3(6) . . ?
C81 Fe4 C79 66.8(6) . . ?
C80 Fe4 C79 40.2(5) . . ?
C88 Fe4 C79 134.1(5) . . ?
C87 Fe4 C79 110.4(5) . . ?
C84 Fe4 C79 174.1(5) . . ?
C82 Fe4 C83 39.4(6) . . ?
C85 Fe4 C83 116.1(6) . . ?
C86 Fe4 C83 110.8(6) . . ?
C81 Fe4 C83 67.1(7) . . ?
C80 Fe4 C83 67.1(6) . . ?
C88 Fe4 C83 172.6(6) . . ?
C87 Fe4 C83 134.9(6) . . ?
C84 Fe4 C83 145.9(6) . . ?
C79 Fe4 C83 40.0(5) . . ?
C108 Fe5 C110 64.6(9) . . ?
C108 Fe5 C104 109.4(9) . . ?
C110 Fe5 C104 163.4(8) . . ?
C108 Fe5 C102 168.4(9) . . ?
C110 Fe5 C102 122.2(7) . . ?
C104 Fe5 C102 66.7(7) . . ?
C108 Fe5 C103 130.4(10) . . ?
C110 Fe5 C103 155.7(8) . . ?
C104 Fe5 C103 39.8(7) . . ?
C102 Fe5 C103 39.7(6) . . ?
C108 Fe5 C101 150.3(9) . . ?
C110 Fe5 C101 110.7(7) . . ?
C104 Fe5 C101 66.2(7) . . ?
C102 Fe5 C101 39.7(6) . . ?
C103 Fe5 C101 66.3(7) . . ?
C108 Fe5 C105 117.7(8) . . ?
C110 Fe5 C105 127.9(8) . . ?
C104 Fe5 C105 39.2(7) . . ?
C102 Fe5 C105 66.9(7) . . ?
C103 Fe5 C105 66.5(8) . . ?
C101 Fe5 C105 39.8(6) . . ?
C108 Fe5 C106 65.7(8) . . ?
C110 Fe5 C106 41.2(7) . . ?
C104 Fe5 C106 152.8(8) . . ?
C102 Fe5 C106 112.3(7) . . ?
C103 Fe5 C106 121.3(9) . . ?
C101 Fe5 C106 131.7(6) . . ?
C105 Fe5 C106 167.7(7) . . ?
C108 Fe5 C107 38.6(8) . . ?
C110 Fe5 C107 67.5(8) . . ?
C104 Fe5 C107 118.4(8) . . ?
C102 Fe5 C107 132.3(8) . . ?
C103 Fe5 C107 111.0(9) . . ?
C101 Fe5 C107 170.1(7) . . ?
C105 Fe5 C107 149.1(7) . . ?
C106 Fe5 C107 40.6(6) . . ?
C108 Fe5 C109 39.0(9) . . ?
C110 Fe5 C109 38.9(7) . . ?
C104 Fe5 C109 126.6(8) . . ?
C102 Fe5 C109 152.2(9) . . ?
C103 Fe5 C109 164.9(8) . . ?
C101 Fe5 C109 118.1(9) . . ?
C105 Fe5 C109 106.9(9) . . ?
C106 Fe5 C109 67.8(8) . . ?
C107 Fe5 C109 67.1(10) . . ?
C128 Fe6 C125 135.9(6) . . ?
C128 Fe6 C132 41.5(5) . . ?
C125 Fe6 C132 177.3(7) . . ?
C128 Fe6 C126 111.8(6) . . ?
C125 Fe6 C126 38.7(6) . . ?
C132 Fe6 C126 139.6(6) . . ?
C128 Fe6 C129 40.5(5) . . ?
C125 Fe6 C129 110.3(6) . . ?
C132 Fe6 C129 68.1(6) . . ?
C126 Fe6 C129 113.5(6) . . ?
C128 Fe6 C127 114.8(6) . . ?
C125 Fe6 C127 66.2(6) . . ?
C132 Fe6 C127 113.8(5) . . ?
C126 Fe6 C127 39.7(5) . . ?
C129 Fe6 C127 143.0(6) . . ?
C128 Fe6 C124 175.8(6) . . ?
C125 Fe6 C124 40.6(7) . . ?
C132 Fe6 C124 142.1(7) . . ?
C126 Fe6 C124 66.7(7) . . ?
C129 Fe6 C124 136.0(6) . . ?
C127 Fe6 C124 66.8(6) . . ?
C128 Fe6 C130 66.6(6) . . ?
C125 Fe6 C130 113.1(7) . . ?
C132 Fe6 C130 67.0(6) . . ?
C126 Fe6 C130 140.4(6) . . ?
C129 Fe6 C130 38.3(6) . . ?
C127 Fe6 C130 178.5(6) . . ?
C124 Fe6 C130 111.8(7) . . ?
C128 Fe6 C131 67.5(6) . . ?
C125 Fe6 C131 142.9(7) . . ?
C132 Fe6 C131 38.9(6) . . ?
C126 Fe6 C131 178.3(6) . . ?
C129 Fe6 C131 67.1(6) . . ?
C127 Fe6 C131 138.9(6) . . ?
C124 Fe6 C131 114.1(7) . . ?
C130 Fe6 C131 41.0(6) . . ?
C128 Fe6 C123 143.7(6) . . ?
C125 Fe6 C123 67.0(6) . . ?
C132 Fe6 C123 114.8(6) . . ?
C126 Fe6 C123 66.6(6) . . ?
C129 Fe6 C123 175.8(6) . . ?
C127 Fe6 C123 39.6(6) . . ?
C124 Fe6 C123 39.9(6) . . ?
C130 Fe6 C123 139.0(7) . . ?
C131 Fe6 C123 112.9(6) . . ?
C17 P1 C12 107.3(7) . . ?
C17 P1 C23 105.3(7) . . ?
C12 P1 C23 104.1(7) . . ?
C17 P1 Au1 114.1(6) . . ?
C12 P1 Au1 109.0(5) . . ?
C23 P1 Au1 116.1(5) . . ?
C45 P2 C34 102.2(7) . . ?
C45 P2 C39 104.4(7) . . ?
C34 P2 C39 104.7(6) . . ?
C45 P2 Au2 119.3(5) . . ?
C34 P2 Au2 112.0(5) . . ?
C39 P2 Au2 112.6(5) . . ?
C61 P3 C56 103.4(7) . . ?
C61 P3 C67 105.4(8) . . ?
C56 P3 C67 103.1(7) . . ?
C61 P3 Au3 117.1(5) . . ?
C56 P3 Au3 112.0(5) . . ?
C67 P3 Au3 114.3(5) . . ?
C84 P4 C89 103.7(6) . . ?
C84 P4 C95 103.0(6) . . ?
C89 P4 C95 107.9(6) . . ?
C84 P4 Au4 110.9(4) . . ?
C89 P4 Au4 119.3(4) . . ?
C95 P4 Au4 110.8(5) . . ?
C106 P5 C111 104.4(8) . . ?
C106 P5 C117 104.3(9) . . ?
C111 P5 C117 105.1(9) . . ?
C106 P5 Au5 110.5(6) . . ?
C111 P5 Au5 112.7(6) . . ?
C117 P5 Au5 118.6(6) . . ?
C133 P6 C139 108.2(8) . . ?
C133 P6 C128 101.4(7) . . ?
C139 P6 C128 105.8(7) . . ?
C133 P6 Au6 119.2(4) . . ?
C139 P6 Au6 113.6(8) . . ?
C128 P6 Au6 107.2(5) . . ?
C6 C1 C2 116.8(12) . . ?
C6 C1 C7 122.1(12) . . ?
C2 C1 C7 121.0(12) . . ?
C3 C2 C1 121.4(13) . . ?
C4 C3 C2 120.1(12) . . ?
C4 C3 C29 119.7(13) . . ?
C2 C3 C29 120.2(13) . . ?
C5 C4 C3 121.2(13) . . ?
C4 C5 C6 118.0(12) . . ?
C4 C5 C51 121.5(12) . . ?
C6 C5 C51 120.5(12) . . ?
C1 C6 C5 122.5(12) . . ?
C8 C7 C1 127.7(14) . . ?
C8 C7 C11 105.3(12) . . ?
C1 C7 C11 127.0(14) . . ?
C8 C7 Fe1 67.8(8) . . ?
C1 C7 Fe1 128.2(10) . . ?
C11 C7 Fe1 67.9(8) . . ?
C9 C8 C7 110.1(14) . . ?
C9 C8 Fe1 69.8(9) . . ?
C7 C8 Fe1 72.6(9) . . ?
C10 C9 C8 107.1(14) . . ?
C10 C9 Fe1 71.4(10) . . ?
C8 C9 Fe1 70.4(8) . . ?
C9 C10 C11 110.6(15) . . ?
C9 C10 Fe1 69.7(9) . . ?
C11 C10 Fe1 70.1(8) . . ?
C10 C11 C7 106.6(14) . . ?
C10 C11 Fe1 70.2(9) . . ?
C7 C11 Fe1 71.7(8) . . ?
C13 C12 C16 106.8(15) . . ?
C13 C12 P1 130.3(12) . . ?
C16 C12 P1 122.9(13) . . ?
C13 C12 Fe1 71.5(10) . . ?
C16 C12 Fe1 69.2(8) . . ?
P1 C12 Fe1 123.4(8) . . ?
C14 C13 C12 108.5(16) . . ?
C14 C13 Fe1 70.9(10) . . ?
C12 C13 Fe1 68.3(10) . . ?
C13 C14 C15 112.1(17) . . ?
C13 C14 Fe1 70.5(11) . . ?
C15 C14 Fe1 71.2(10) . . ?
C14 C15 C16 104.0(17) . . ?
C14 C15 Fe1 69.0(9) . . ?
C16 C15 Fe1 66.7(9) . . ?
C12 C16 C15 108.6(15) . . ?
C12 C16 Fe1 69.0(8) . . ?
C15 C16 Fe1 72.3(9) . . ?
C18 C17 C22 118.2(15) . . ?
C18 C17 P1 121.2(13) . . ?
C22 C17 P1 120.5(13) . . ?
C17 C18 C19 123.3(18) . . ?
C20 C19 C18 121(2) . . ?
C19 C20 C21 120(2) . . ?
C20 C21 C22 118(2) . . ?
C17 C22 C21 119.0(18) . . ?
C28 C23 C24 119.8(15) . . ?
C28 C23 P1 118.3(13) . . ?
C24 C23 P1 121.9(12) . . ?
C25 C24 C23 123.0(16) . . ?
C24 C25 C26 118.4(17) . . ?
C25 C26 C27 121.2(17) . . ?
C28 C27 C26 119.8(17) . . ?
C23 C28 C27 117.8(16) . . ?
C33 C29 C30 107.7(12) . . ?
C33 C29 C3 126.7(13) . . ?
C30 C29 C3 125.5(12) . . ?
C33 C29 Fe2 70.1(8) . . ?
C30 C29 Fe2 69.1(8) . . ?
C3 C29 Fe2 124.3(9) . . ?
C29 C30 C31 105.8(12) . . ?
C29 C30 Fe2 71.3(8) . . ?
C31 C30 Fe2 67.7(8) . . ?
C32 C31 C30 110.3(13) . . ?
C32 C31 Fe2 72.5(8) . . ?
C30 C31 Fe2 71.1(7) . . ?
C31 C32 C33 105.9(12) . . ?
C31 C32 Fe2 68.5(8) . . ?
C33 C32 Fe2 70.3(7) . . ?
C29 C33 C32 110.3(12) . . ?
C29 C33 Fe2 71.3(8) . . ?
C32 C33 Fe2 69.7(8) . . ?
C38 C34 C35 106.2(12) . . ?
C38 C34 P2 128.7(11) . . ?
C35 C34 P2 125.0(10) . . ?
C38 C34 Fe2 70.8(7) . . ?
C35 C34 Fe2 70.0(7) . . ?
P2 C34 Fe2 125.9(7) . . ?
C36 C35 C34 107.6(13) . . ?
C36 C35 Fe2 69.4(8) . . ?
C34 C35 Fe2 70.3(7) . . ?
C37 C36 C35 110.1(14) . . ?
C37 C36 Fe2 72.5(9) . . ?
C35 C36 Fe2 71.4(9) . . ?
C36 C37 C38 106.8(14) . . ?
C36 C37 Fe2 69.0(9) . . ?
C38 C37 Fe2 70.2(8) . . ?
C34 C38 C37 109.2(14) . . ?
C34 C38 Fe2 70.0(8) . . ?
C37 C38 Fe2 70.6(9) . . ?
C40 C39 C44 119.8(16) . . ?
C40 C39 P2 122.4(14) . . ?
C44 C39 P2 117.8(12) . . ?
C39 C40 C41 122.9(19) . . ?
C40 C41 C42 117.8(16) . . ?
C43 C42 C41 120.2(17) . . ?
C44 C43 C42 116.6(19) . . ?
C39 C44 C43 122.7(18) . . ?
C50 C45 C46 121.6(16) . . ?
C50 C45 P2 123.4(13) . . ?
C46 C45 P2 114.7(13) . . ?
C45 C46 C47 115.9(17) . . ?
C48 C47 C46 121.4(17) . . ?
C49 C48 C47 118.8(17) . . ?
C50 C49 C48 119.6(19) . . ?
C45 C50 C49 122.4(18) . . ?
C52 C51 C55 106.3(13) . . ?
C52 C51 C5 125.3(13) . . ?
C55 C51 C5 128.3(13) . . ?
C52 C51 Fe3 70.3(8) . . ?
C55 C51 Fe3 68.3(8) . . ?
C5 C51 Fe3 127.7(9) . . ?
C51 C52 C53 110.0(14) . . ?
C51 C52 Fe3 70.8(8) . . ?
C53 C52 Fe3 71.6(8) . . ?
C54 C53 C52 105.1(14) . . ?
C54 C53 Fe3 68.2(8) . . ?
C52 C53 Fe3 68.8(7) . . ?
C55 C54 C53 109.3(13) . . ?
C55 C54 Fe3 69.7(8) . . ?
C53 C54 Fe3 72.3(8) . . ?
C54 C55 C51 109.4(14) . . ?
C54 C55 Fe3 71.4(10) . . ?
C51 C55 Fe3 71.8(8) . . ?
C60 C56 C57 105.5(13) . . ?
C60 C56 P3 126.4(11) . . ?
C57 C56 P3 128.0(11) . . ?
C60 C56 Fe3 69.6(9) . . ?
C57 C56 Fe3 70.4(9) . . ?
P3 C56 Fe3 127.5(7) . . ?
C58 C57 C56 108.0(14) . . ?
C58 C57 Fe3 71.2(8) . . ?
C56 C57 Fe3 69.3(8) . . ?
C59 C58 C57 109.2(15) . . ?
C59 C58 Fe3 70.6(8) . . ?
C57 C58 Fe3 70.1(8) . . ?
C58 C59 C60 108.0(13) . . ?
C58 C59 Fe3 70.9(9) . . ?
C60 C59 Fe3 69.3(8) . . ?
C59 C60 C56 109.2(14) . . ?
C59 C60 Fe3 71.7(9) . . ?
C56 C60 Fe3 70.3(8) . . ?
C62 C61 C66 117.6(16) . . ?
C62 C61 P3 126.1(14) . . ?
C66 C61 P3 116.3(13) . . ?
C61 C62 C63 125(2) . . ?
C64 C63 C62 117(2) . . ?
C65 C64 C63 122(2) . . ?
C64 C65 C66 121(2) . . ?
C65 C66 C61 118(2) . . ?
C68 C67 C72 117.6(16) . . ?
C68 C67 P3 124.1(14) . . ?
C72 C67 P3 118.3(13) . . ?
C69 C68 C67 122.9(18) . . ?
C68 C69 C70 117.0(18) . . ?
C69 C70 C71 120.9(18) . . ?
C72 C71 C70 120.7(18) . . ?
C71 C72 C67 120.8(17) . . ?
C78 C73 C74 121.6(13) . . ?
C78 C73 C79 120.0(13) . . ?
C74 C73 C79 118.4(13) . . ?
C75 C74 C73 120.3(13) . . ?
C76 C75 C74 115.0(14) . . ?
C76 C75 C101 124.8(14) . . ?
C74 C75 C101 120.0(14) . . ?
C77 C76 C75 126.2(14) . . ?
C76 C77 C78 118.5(14) . . ?
C76 C77 C123 121.2(15) . . ?
C78 C77 C123 120.3(14) . . ?
C73 C78 C77 118.2(14) . . ?
C80 C79 C83 107.6(12) . . ?
C80 C79 C73 127.4(12) . . ?
C83 C79 C73 125.0(13) . . ?
C80 C79 Fe4 69.1(8) . . ?
C83 C79 Fe4 71.2(8) . . ?
C73 C79 Fe4 127.0(10) . . ?
C81 C80 C79 109.0(12) . . ?
C81 C80 Fe4 70.3(8) . . ?
C79 C80 Fe4 70.8(7) . . ?
C80 C81 C82 106.9(14) . . ?
C80 C81 Fe4 70.7(7) . . ?
C82 C81 Fe4 69.0(8) . . ?
C81 C82 C83 112.2(15) . . ?
C81 C82 Fe4 71.4(9) . . ?
C83 C82 Fe4 73.9(9) . . ?
C82 C83 C79 104.2(15) . . ?
C82 C83 Fe4 66.8(9) . . ?
C79 C83 Fe4 68.7(9) . . ?
C85 C84 C88 105.3(11) . . ?
C85 C84 P4 128.4(10) . . ?
C88 C84 P4 126.2(10) . . ?
C85 C84 Fe4 68.2(8) . . ?
C88 C84 Fe4 69.3(7) . . ?
P4 C84 Fe4 125.6(6) . . ?
C86 C85 C84 110.2(12) . . ?
C86 C85 Fe4 71.0(8) . . ?
C84 C85 Fe4 72.5(7) . . ?
C87 C86 C85 106.9(13) . . ?
C87 C86 Fe4 71.9(8) . . ?
C85 C86 Fe4 69.5(8) . . ?
C86 C87 C88 109.8(13) . . ?
C86 C87 Fe4 69.4(8) . . ?
C88 C87 Fe4 70.2(8) . . ?
C87 C88 C84 107.7(12) . . ?
C87 C88 Fe4 71.2(9) . . ?
C84 C88 Fe4 70.7(8) . . ?
C90 C89 C94 123.1(14) . . ?
C90 C89 P4 119.0(11) . . ?
C94 C89 P4 117.9(11) . . ?
C89 C90 C91 118.6(14) . . ?
C92 C91 C90 120.4(14) . . ?
C91 C92 C93 119.0(14) . . ?
C92 C93 C94 121.3(14) . . ?
C89 C94 C93 117.5(14) . . ?
C96 C95 C100 122.6(15) . . ?
C96 C95 P4 115.9(12) . . ?
C100 C95 P4 121.5(11) . . ?
C97 C96 C95 118.5(15) . . ?
C96 C97 C98 121.6(15) . . ?
C97 C98 C99 117.4(17) . . ?
C100 C99 C98 123.2(15) . . ?
C99 C100 C95 116.3(14) . . ?
C102 C101 C105 107.7(15) . . ?
C102 C101 C75 126.6(14) . . ?
C105 C101 C75 125.6(16) . . ?
C102 C101 Fe5 68.8(10) . . ?
C105 C101 Fe5 70.2(10) . . ?
C75 C101 Fe5 126.8(11) . . ?
C103 C102 C101 108.5(16) . . ?
C103 C102 Fe5 70.8(10) . . ?
C101 C102 Fe5 71.6(10) . . ?
C102 C103 C104 107.3(19) . . ?
C102 C103 Fe5 69.5(9) . . ?
C104 C103 Fe5 69.4(11) . . ?
C105 C104 C103 109.4(16) . . ?
C105 C104 Fe5 71.9(10) . . ?
C103 C104 Fe5 70.7(9) . . ?
C104 C105 C101 107.0(16) . . ?
C104 C105 Fe5 68.9(11) . . ?
C101 C105 Fe5 70.0(9) . . ?
C107 C106 C110 104.5(17) . . ?
C107 C106 P5 127.8(17) . . ?
C110 C106 P5 127.7(13) . . ?
C107 C106 Fe5 69.7(10) . . ?
C110 C106 Fe5 67.5(10) . . ?
P5 C106 Fe5 128.1(9) . . ?
C108 C107 C106 105(2) . . ?
C108 C107 Fe5 68.2(13) . . ?
C106 C107 Fe5 69.7(10) . . ?
C107 C108 C109 115(2) . . ?
C107 C108 Fe5 73.2(13) . . ?
C109 C108 Fe5 73.4(13) . . ?
C108 C109 C110 104(2) . . ?
C108 C109 Fe5 67.7(14) . . ?
C110 C109 Fe5 68.1(10) . . ?
C109 C110 C106 111.1(19) . . ?
C109 C110 Fe5 73.0(11) . . ?
C106 C110 Fe5 71.3(10) . . ?
C116 C111 C112 119.2(18) . . ?
C116 C111 P5 118.9(15) . . ?
C112 C111 P5 121.9(15) . . ?
C113 C112 C111 121.9(18) . . ?
C114 C113 C112 118.2(19) . . ?
C113 C114 C115 124(2) . . ?
C114 C115 C116 118(2) . . ?
C111 C116 C115 118.9(19) . . ?
C118 C117 C122 122.8(19) . . ?
C118 C117 P5 119.0(16) . . ?
C122 C117 P5 118.2(16) . . ?
C117 C118 C119 121(2) . . ?
C118 C119 C120 118(2) . . ?
C121 C120 C119 119(2) . . ?
C120 C121 C122 126(2) . . ?
C121 C122 C117 114(2) . . ?
C127 C123 C124 106.6(14) . . ?
C127 C123 C77 125.4(14) . . ?
C124 C123 C77 127.9(17) . . ?
C127 C123 Fe6 68.7(7) . . ?
C124 C123 Fe6 68.8(8) . . ?
C77 C123 Fe6 128.2(11) . . ?
C123 C124 C125 106.8(17) . . ?
C123 C124 Fe6 71.4(8) . . ?
C125 C124 Fe6 68.7(9) . . ?
C126 C125 C124 109.2(14) . . ?
C126 C125 Fe6 71.3(9) . . ?
C124 C125 Fe6 70.7(9) . . ?
C125 C126 C127 108.6(15) . . ?
C125 C126 Fe6 70.0(10) . . ?
C127 C126 Fe6 70.3(9) . . ?
C126 C127 C123 108.7(13) . . ?
C126 C127 Fe6 69.9(9) . . ?
C123 C127 Fe6 71.7(9) . . ?
C129 C128 C132 107.5(13) . . ?
C129 C128 P6 128.4(12) . . ?
C132 C128 P6 123.9(11) . . ?
C129 C128 Fe6 71.6(8) . . ?
C132 C128 Fe6 70.5(8) . . ?
P6 C128 Fe6 126.4(7) . . ?
C130 C129 C128 108.4(14) . . ?
C130 C129 Fe6 71.5(9) . . ?
C128 C129 Fe6 67.9(8) . . ?
C129 C130 C131 109.0(15) . . ?
C129 C130 Fe6 70.2(9) . . ?
C131 C130 Fe6 69.9(9) . . ?
C132 C131 C130 106.8(15) . . ?
C132 C131 Fe6 68.9(10) . . ?
C130 C131 Fe6 69.1(9) . . ?
C131 C132 C128 108.2(13) . . ?
C131 C132 Fe6 72.3(9) . . ?
C128 C132 Fe6 68.1(8) . . ?
C134 C133 C138 119.7(14) . . ?
C134 C133 P6 118.1(11) . . ?
C138 C133 P6 122.2(12) . . ?
C133 C134 C135 118.6(15) . . ?
C136 C135 C134 118.6(16) . . ?
C137 C136 C135 122.6(17) . . ?
C136 C137 C138 122.4(19) . . ?
C137 C138 C133 117.8(18) . . ?
C140 C139 C144 117.9(18) . . ?
C140 C139 P6 117.7(18) . . ?
C144 C139 P6 124.4(17) . . ?
C139 C140 C141 119(2) . . ?
C142 C141 C140 119(3) . . ?
C143 C142 C141 120(3) . . ?
C142 C143 C144 122(4) . . ?
C143 C144 C139 122(3) . . ?
O1 Al1 O4 109.0(6) . . ?
O1 Al1 O3 111.4(5) . . ?
O4 Al1 O3 105.9(5) . . ?
O1 Al1 O2 109.4(5) . . ?
O4 Al1 O2 111.8(6) . . ?
O3 Al1 O2 109.3(5) . . ?
C145 O1 Al1 148.5(9) . . ?
C149 O2 Al1 148.3(8) . . ?
C153 O3 Al1 148.9(8) . . ?
C157 O4 Al1 151.4(10) . . ?
O1 C145 C148 111.4(10) . . ?
O1 C145 C147 109.1(10) . . ?
C148 C145 C147 111.2(11) . . ?
O1 C145 C146 107.9(11) . . ?
C148 C145 C146 106.9(11) . . ?
C147 C145 C146 110.3(11) . . ?
F1 C146 F3 108.9(14) . . ?
F1 C146 F2 107.6(15) . . ?
F3 C146 F2 103.7(14) . . ?
F1 C146 C145 112.6(14) . . ?
F3 C146 C145 112.9(14) . . ?
F2 C146 C145 110.6(13) . . ?
F5 C147 F4 108.1(14) . . ?
F5 C147 F6 108.7(14) . . ?
F4 C147 F6 101.6(12) . . ?
F5 C147 C145 114.5(12) . . ?
F4 C147 C145 113.5(13) . . ?
F6 C147 C145 109.5(12) . . ?
F7 C148 F9 105.6(13) . . ?
F7 C148 F8 109.2(13) . . ?
F9 C148 F8 101.3(13) . . ?
F7 C148 C145 116.7(14) . . ?
F9 C148 C145 111.5(13) . . ?
F8 C148 C145 111.2(11) . . ?
O2 C149 C151 111.4(11) . . ?
O2 C149 C150 109.1(11) . . ?
C151 C149 C150 108.8(10) . . ?
O2 C149 C152 107.5(9) . . ?
C151 C149 C152 109.3(11) . . ?
C150 C149 C152 110.8(11) . . ?
F11 C150 F12 107.5(14) . . ?
F11 C150 F10 108.6(11) . . ?
F12 C150 F10 105.1(14) . . ?
F11 C150 C149 112.5(12) . . ?
F12 C150 C149 111.4(11) . . ?
F10 C150 C149 111.4(13) . . ?
F13 C151 F15 109.8(14) . . ?
F13 C151 F14 107.1(12) . . ?
F15 C151 F14 107.6(12) . . ?
F13 C151 C149 112.2(12) . . ?
F15 C151 C149 109.2(12) . . ?
F14 C151 C149 110.8(13) . . ?
F18 C152 F17 110.0(14) . . ?
F18 C152 F16 107.3(14) . . ?
F17 C152 F16 104.9(12) . . ?
F18 C152 C149 111.5(12) . . ?
F17 C152 C149 112.7(12) . . ?
F16 C152 C149 110.0(12) . . ?
O3 C153 C156 111.7(9) . . ?
O3 C153 C155 109.3(9) . . ?
C156 C153 C155 111.6(11) . . ?
O3 C153 C154 111.6(10) . . ?
C156 C153 C154 106.3(10) . . ?
C155 C153 C154 106.1(9) . . ?
F19 C154 F21 111.2(14) . . ?
F19 C154 F20 106.2(12) . . ?
F21 C154 F20 105.4(14) . . ?
F19 C154 C153 113.2(13) . . ?
F21 C154 C153 111.7(11) . . ?
F20 C154 C153 108.7(12) . . ?
F22 C155 F23 105.5(13) . . ?
F22 C155 F24 110.3(12) . . ?
F23 C155 F24 107.7(13) . . ?
F22 C155 C153 111.5(12) . . ?
F23 C155 C153 109.9(11) . . ?
F24 C155 C153 111.6(11) . . ?
F25 C156 F26 110.5(13) . . ?
F25 C156 F27 105.6(11) . . ?
F26 C156 F27 107.8(13) . . ?
F25 C156 C153 110.7(11) . . ?
F26 C156 C153 109.2(11) . . ?
F27 C156 C153 112.9(11) . . ?
O4 C157 C158 112.2(11) . . ?
O4 C157 C160 109.3(11) . . ?
C158 C157 C160 108.3(12) . . ?
O4 C157 C159 108.8(11) . . ?
C158 C157 C159 108.7(12) . . ?
C160 C157 C159 109.5(12) . . ?
F28 C158 F30 111.3(16) . . ?
F28 C158 F29 106.2(15) . . ?
F30 C158 F29 109.4(17) . . ?
F28 C158 C157 110.2(14) . . ?
F30 C158 C157 110.8(13) . . ?
F29 C158 C157 108.8(14) . . ?
F31 C159 F32 111.1(16) . . ?
F31 C159 F33 107.5(15) . . ?
F32 C159 F33 106.6(15) . . ?
F31 C159 C157 111.1(13) . . ?
F32 C159 C157 111.3(14) . . ?
F33 C159 C157 109.0(14) . . ?
F34 C160 F36 108.3(16) . . ?
F34 C160 F35 109.4(15) . . ?
F36 C160 F35 103.2(14) . . ?
F34 C160 C157 111.6(14) . . ?
F36 C160 C157 111.0(13) . . ?
F35 C160 C157 112.9(13) . . ?
O7 Al2 O5 110.1(6) . . ?
O7 Al2 O8 110.5(6) . . ?
O5 Al2 O8 109.9(6) . . ?
O7 Al2 O6 111.3(6) . . ?
O5 Al2 O6 106.8(6) . . ?
O8 Al2 O6 108.1(6) . . ?
C161 O5 Al2 157.8(12) . . ?
C165 O6 Al2 155.3(11) . . ?
C169 O7 Al2 154.8(10) . . ?
C173 O8 Al2 153.8(10) . . ?
O5 C161 C164 109.2(13) . . ?
O5 C161 C163 108.5(12) . . ?
C164 C161 C163 114.6(14) . . ?
O5 C161 C162 110.9(13) . . ?
C164 C161 C162 108.0(12) . . ?
C163 C161 C162 105.6(12) . . ?
F37 C162 F39 106.9(16) . . ?
F37 C162 F38 107.1(16) . . ?
F39 C162 F38 104.4(16) . . ?
F37 C162 C161 113.1(15) . . ?
F39 C162 C161 112.8(15) . . ?
F38 C162 C161 112.0(14) . . ?
F41 C163 F40 110.4(17) . . ?
F41 C163 F42 103.9(17) . . ?
F40 C163 F42 104.0(15) . . ?
F41 C163 C161 114.2(16) . . ?
F40 C163 C161 114.6(15) . . ?
F42 C163 C161 108.7(14) . . ?
F43 C164 F45 112.7(17) . . ?
F43 C164 F44 103.8(16) . . ?
F45 C164 F44 103.4(15) . . ?
F43 C164 C161 115.5(16) . . ?
F45 C164 C161 110.0(14) . . ?
F44 C164 C161 110.7(14) . . ?
O6 C165 C167 110.8(12) . . ?
O6 C165 C168 111.7(12) . . ?
C167 C165 C168 113.3(13) . . ?
O6 C165 C166 106.5(12) . . ?
C167 C165 C166 109.1(12) . . ?
C168 C165 C166 104.9(11) . . ?
F47 C166 F48 105.7(15) . . ?
F47 C166 F46 109.1(14) . . ?
F48 C166 F46 109.4(15) . . ?
F47 C166 C165 112.8(13) . . ?
F48 C166 C165 112.0(13) . . ?
F46 C166 C165 107.8(13) . . ?
F50 C167 F51 109.3(15) . . ?
F50 C167 F49 105.1(17) . . ?
F51 C167 F49 103.2(16) . . ?
F50 C167 C165 112.2(15) . . ?
F51 C167 C165 113.4(14) . . ?
F49 C167 C165 112.9(15) . . ?
F52 C168 F54 108.6(15) . . ?
F52 C168 F53 106.3(15) . . ?
F54 C168 F53 111.7(15) . . ?
F52 C168 C165 110.3(14) . . ?
F54 C168 C165 110.3(13) . . ?
F53 C168 C165 109.5(13) . . ?
O7 C169 C172 109.9(12) . . ?
O7 C169 C171 110.0(12) . . ?
C172 C169 C171 109.9(11) . . ?
O7 C169 C170 109.9(12) . . ?
C172 C169 C170 108.1(12) . . ?
C171 C169 C170 109.0(11) . . ?
F57 C170 F55 110.6(15) . . ?
F57 C170 F56 108.3(15) . . ?
F55 C170 F56 103.6(14) . . ?
F57 C170 C169 115.0(13) . . ?
F55 C170 C169 111.4(13) . . ?
F56 C170 C169 107.2(13) . . ?
F59 C171 F58 106.7(16) . . ?
F59 C171 F60 107.1(16) . . ?
F58 C171 F60 109.4(15) . . ?
F59 C171 C169 110.4(13) . . ?
F58 C171 C169 110.9(13) . . ?
F60 C171 C169 112.0(14) . . ?
F63 C172 F62 96.0(14) . . ?
F63 C172 F61 112.6(16) . . ?
F62 C172 F61 104.6(14) . . ?
F63 C172 C169 114.1(14) . . ?
F62 C172 C169 116.3(13) . . ?
F61 C172 C169 112.0(13) . . ?
O8 C173 C176 112.3(11) . . ?
O8 C173 C174 114.1(12) . . ?
C176 C173 C174 108.6(12) . . ?
O8 C173 C175 107.0(12) . . ?
C176 C173 C175 109.9(11) . . ?
C174 C173 C175 104.5(12) . . ?
F64 C174 F66 112.1(17) . . ?
F64 C174 F65 104.9(16) . . ?
F66 C174 F65 111.2(16) . . ?
F64 C174 C173 110.3(15) . . ?
F66 C174 C173 110.1(14) . . ?
F65 C174 C173 108.1(13) . . ?
F67 C175 F69 112.9(15) . . ?
F67 C175 F68 109.2(17) . . ?
F69 C175 F68 105.6(16) . . ?
F67 C175 C173 110.7(14) . . ?
F69 C175 C173 109.1(14) . . ?
F68 C175 C173 109.2(13) . . ?
F70 C176 F71 106.9(12) . . ?
F70 C176 F72 110.8(14) . . ?
F71 C176 F72 104.9(12) . . ?
F70 C176 C173 109.3(11) . . ?
F71 C176 C173 111.9(12) . . ?
F72 C176 C173 112.9(11) . . ?
O11 Al3 O12 108.0(6) . . ?
O11 Al3 O10 112.1(6) . . ?
O12 Al3 O10 108.9(5) . . ?
O11 Al3 O9 109.7(6) . . ?
O12 Al3 O9 109.4(6) . . ?
O10 Al3 O9 108.8(6) . . ?
C177 O9 Al3 156.3(10) . . ?
C181 O10 Al3 152.2(10) . . ?
C185 O11 Al3 158.1(11) . . ?
C189 O12 Al3 154.6(10) . . ?
O9 C177 C180 111.0(13) . . ?
O9 C177 C179 112.5(12) . . ?
C180 C177 C179 113.1(12) . . ?
O9 C177 C178 107.3(12) . . ?
C180 C177 C178 106.4(12) . . ?
C179 C177 C178 106.2(12) . . ?
F73 C178 F75 112.0(16) . . ?
F73 C178 F74 107.9(16) . . ?
F75 C178 F74 106.9(15) . . ?
F73 C178 C177 110.0(14) . . ?
F75 C178 C177 114.6(15) . . ?
F74 C178 C177 105.0(13) . . ?
F76 C179 F77 110.7(15) . . ?
F76 C179 F78 107.5(15) . . ?
F77 C179 F78 104.2(15) . . ?
F76 C179 C177 114.9(14) . . ?
F77 C179 C177 114.3(14) . . ?
F78 C179 C177 104.3(13) . . ?
F79 C180 F80 106.1(16) . . ?
F79 C180 F81 111.5(16) . . ?
F80 C180 F81 101.7(15) . . ?
F79 C180 C177 113.7(15) . . ?
F80 C180 C177 114.1(14) . . ?
F81 C180 C177 109.2(14) . . ?
O10 C181 C183 108.4(11) . . ?
O10 C181 C182 109.2(12) . . ?
C183 C181 C182 109.4(12) . . ?
O10 C181 C184 109.7(11) . . ?
C183 C181 C184 111.3(12) . . ?
C182 C181 C184 108.8(11) . . ?
F83 C182 F84 106.1(16) . . ?
F83 C182 F82 115.0(15) . . ?
F84 C182 F82 105.0(14) . . ?
F83 C182 C181 110.1(14) . . ?
F84 C182 C181 111.7(14) . . ?
F82 C182 C181 108.7(14) . . ?
F85 C183 F87 112.8(16) . . ?
F85 C183 F86 114.5(16) . . ?
F87 C183 F86 99.9(14) . . ?
F85 C183 C181 109.2(14) . . ?
F87 C183 C181 112.3(14) . . ?
F86 C183 C181 107.8(14) . . ?
F90 C184 F88 105.9(13) . . ?
F90 C184 F89 110.8(14) . . ?
F88 C184 F89 107.0(13) . . ?
F90 C184 C181 112.8(13) . . ?
F88 C184 C181 110.4(12) . . ?
F89 C184 C181 109.7(12) . . ?
O11 C185 C188 111.8(12) . . ?
O11 C185 C187 111.3(11) . . ?
C188 C185 C187 110.4(12) . . ?
O11 C185 C186 108.4(11) . . ?
C188 C185 C186 107.3(11) . . ?
C187 C185 C186 107.5(12) . . ?
F91 C186 F93 111.1(16) . . ?
F91 C186 F92 106.1(14) . . ?
F93 C186 F92 102.7(14) . . ?
F91 C186 C185 115.1(14) . . ?
F93 C186 C185 111.3(13) . . ?
F92 C186 C185 109.6(13) . . ?
F95 C187 F96 110.9(16) . . ?
F95 C187 F94 104.8(15) . . ?
F96 C187 F94 106.6(16) . . ?
F95 C187 C185 111.0(14) . . ?
F96 C187 C185 113.1(14) . . ?
F94 C187 C185 110.0(13) . . ?
F99 C188 F97 108.8(14) . . ?
F99 C188 F98 105.3(13) . . ?
F97 C188 F98 112.2(15) . . ?
F99 C188 C185 111.7(13) . . ?
F97 C188 C185 108.2(12) . . ?
F98 C188 C185 110.6(13) . . ?
O12 C189 C190 114.7(12) . . ?
O12 C189 C192 109.3(11) . . ?
C190 C189 C192 108.7(11) . . ?
O12 C189 C191 104.6(12) . . ?
C190 C189 C191 106.5(11) . . ?
C192 C189 C191 113.0(13) . . ?
F100 C190 F102 109.6(13) . . ?
F100 C190 F101 109.3(13) . . ?
F102 C190 F101 106.9(15) . . ?
F100 C190 C189 112.8(13) . . ?
F102 C190 C189 110.5(13) . . ?
F101 C190 C189 107.7(12) . . ?
F105 C191 F103 109.8(17) . . ?
F105 C191 F104 106.8(17) . . ?
F103 C191 F104 116.1(19) . . ?
F105 C191 C189 110.0(16) . . ?
F103 C191 C189 105.6(14) . . ?
F104 C191 C189 108.5(14) . . ?
F108 C192 F106 113.3(17) . . ?
F108 C192 F107 111.8(15) . . ?
F106 C192 F107 104.9(15) . . ?
F108 C192 C189 109.9(13) . . ?
F106 C192 C189 107.2(13) . . ?
F107 C192 C189 109.4(14) . . ?
O14 Al4 O15 111.1(6) . . ?
O14 Al4 O16 111.3(6) . . ?
O15 Al4 O16 109.3(5) . . ?
O14 Al4 O13 107.1(7) . . ?
O15 Al4 O13 108.7(5) . . ?
O16 Al4 O13 109.3(6) . . ?
C193 O13 Al4 162.3(11) . . ?
C197 O14 Al4 159.1(9) . . ?
C201 O15 Al4 153.1(10) . . ?
C205 O16 Al4 149.5(10) . . ?
O13 C193 C196 110.7(13) . . ?
O13 C193 C195 108.7(11) . . ?
C196 C193 C195 108.7(13) . . ?
O13 C193 C194 117.0(14) . . ?
C196 C193 C194 102.4(11) . . ?
C195 C193 C194 109.2(12) . . ?
F109 C194 F111 118.6(17) . . ?
F109 C194 F110 114.3(18) . . ?
F111 C194 F110 96.8(16) . . ?
F109 C194 C193 106.1(14) . . ?
F111 C194 C193 112.1(15) . . ?
F110 C194 C193 108.6(15) . . ?
F112 C195 F113 114.4(17) . . ?
F112 C195 F114 107.3(15) . . ?
F113 C195 F114 100.1(14) . . ?
F112 C195 C193 114.5(14) . . ?
F113 C195 C193 114.0(13) . . ?
F114 C195 C193 104.8(13) . . ?
F115 C196 F117 108.6(14) . . ?
F115 C196 F116 106.9(15) . . ?
F117 C196 F116 107.5(17) . . ?
F115 C196 C193 114.3(15) . . ?
F117 C196 C193 111.3(14) . . ?
F116 C196 C193 107.9(13) . . ?
O14 C197 C199 109.3(11) . . ?
O14 C197 C198 103.7(10) . . ?
C199 C197 C198 111.3(11) . . ?
O14 C197 C200 93.8(11) . . ?
C199 C197 C200 118.7(12) . . ?
C198 C197 C200 117.1(11) . . ?
F120 C198 F119 106.2(13) . . ?
F120 C198 F118 106.4(15) . . ?
F119 C198 F118 106.5(12) . . ?
F120 C198 C197 112.1(11) . . ?
F119 C198 C197 114.8(12) . . ?
F118 C198 C197 110.4(12) . . ?
F121 C199 F122 106.8(15) . . ?
F121 C199 F123 107.6(13) . . ?
F122 C199 F123 104.7(11) . . ?
F121 C199 C197 112.3(12) . . ?
F122 C199 C197 111.0(13) . . ?
F123 C199 C197 113.9(12) . . ?
F124 C200 F126 108.6(13) . . ?
F124 C200 F125 108.0(13) . . ?
F126 C200 F125 105.9(12) . . ?
F124 C200 C197 109.0(15) . . ?
F126 C200 C197 110.3(13) . . ?
F125 C200 C197 114.9(14) . . ?
O15 C201 C204 112.9(11) . . ?
O15 C201 C203 105.5(11) . . ?
C204 C201 C203 105.6(11) . . ?
O15 C201 C202 115.2(11) . . ?
C204 C201 C202 113.9(11) . . ?
C203 C201 C202 102.4(11) . . ?
F129 C202 F127 110.5(15) . . ?
F129 C202 F128 105.3(14) . . ?
F127 C202 F128 113.2(16) . . ?
F129 C202 C201 112.6(13) . . ?
F127 C202 C201 110.0(14) . . ?
F128 C202 C201 104.9(13) . . ?
F130 C203 F131 94.7(14) . . ?
F130 C203 F132 132.9(19) . . ?
F131 C203 F132 113.1(16) . . ?
F130 C203 C201 108.0(14) . . ?
F131 C203 C201 104.9(14) . . ?
F132 C203 C201 100.8(12) . . ?
F135 C204 F134 108.8(11) . . ?
F135 C204 F133 107.8(12) . . ?
F134 C204 F133 108.0(12) . . ?
F135 C204 C201 113.0(12) . . ?
F134 C204 C201 117.6(13) . . ?
F133 C204 C201 100.8(12) . . ?
O16 C205 C208 117.8(13) . . ?
O16 C205 C206 108.7(12) . . ?
C208 C205 C206 96.1(12) . . ?
O16 C205 C207 109.0(12) . . ?
C208 C205 C207 124.5(13) . . ?
C206 C205 C207 95.6(12) . . ?
F136 C206 F138 120.4(18) . . ?
F136 C206 F137 115.0(16) . . ?
F138 C206 F137 107.2(16) . . ?
F136 C206 C205 102.1(14) . . ?
F138 C206 C205 107.1(15) . . ?
F137 C206 C205 103.3(13) . . ?
F141 C207 F139 102.8(17) . . ?
F141 C207 F140 105.2(19) . . ?
F139 C207 F140 104.8(19) . . ?
F141 C207 C205 113.5(17) . . ?
F139 C207 C205 120.2(18) . . ?
F140 C207 C205 109.1(15) . . ?
F143 C208 F142 108.3(15) . . ?
F143 C208 F144 106.5(14) . . ?
F142 C208 F144 102.7(13) . . ?
F143 C208 C205 104.8(18) . . ?
F142 C208 C205 116.4(18) . . ?
F144 C208 C205 117.5(17) . . ?
F925 C900 F926 108.2(15) . . ?
F925 C900 F924 108.7(15) . . ?
F926 C900 F924 108.0(15) . . ?
F934 C904 F933 110.4(19) . . ?
F934 C904 F935 110.6(19) . . ?
F933 C904 F935 107.0(18) . . ?
F944 C908 F942 123(4) . . ?
F944 C908 F943 117(3) . . ?
F942 C908 F943 101(2) . . ?
C210 C209 Cl7 114.7(12) . . ?
C209 C210 Cl8 112.9(13) . . ?
C212 C211 Cl9 112.4(11) . . ?
C211 C212 Cl10 112.8(11) . . ?
C214 C213 Cl11 132(2) . . ?
C213 C214 Cl12 112.2(19) . . ?
C215 C215 Cl13 106.4(11) 2_756 . ?
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 P1 2.240(5) . ?
Au1 Cl1 2.294(5) . ?
Au1 Au6 2.9891(9) . ?
Au2 P2 2.217(4) . ?
Au2 Cl2 2.285(4) . ?
Au2 Au4 3.1884(8) . ?
Au3 P3 2.220(4) . ?
Au3 Cl3 2.286(4) . ?
Au4 P4 2.220(4) . ?
Au4 Cl4 2.278(3) . ?
Au5 P5 2.230(4) . ?
Au5 Cl5 2.278(4) . ?
Au6 P6 2.215(4) . ?
Au6 Cl6 2.255(5) . ?
Fe1 C12 2.018(14) . ?
Fe1 C16 2.020(14) . ?
Fe1 C13 2.061(18) . ?
Fe1 C14 2.066(16) . ?
Fe1 C9 2.066(16) . ?
Fe1 C8 2.074(15) . ?
Fe1 C11 2.086(14) . ?
Fe1 C10 2.088(15) . ?
Fe1 C15 2.096(16) . ?
Fe1 C7 2.138(14) . ?
Fe2 C31 2.040(14) . ?
Fe2 C36 2.051(15) . ?
Fe2 C35 2.075(13) . ?
Fe2 C34 2.080(12) . ?
Fe2 C30 2.085(13) . ?
Fe2 C38 2.090(14) . ?
Fe2 C32 2.091(13) . ?
Fe2 C37 2.095(16) . ?
Fe2 C33 2.099(13) . ?
Fe2 C29 2.114(15) . ?
Fe3 C55 2.046(16) . ?
Fe3 C54 2.068(14) . ?
Fe3 C60 2.082(15) . ?
Fe3 C52 2.087(13) . ?
Fe3 C56 2.092(15) . ?
Fe3 C51 2.092(14) . ?
Fe3 C57 2.106(14) . ?
Fe3 C59 2.114(15) . ?
Fe3 C58 2.119(14) . ?
Fe3 C53 2.124(14) . ?
Fe4 C82 2.056(15) . ?
Fe4 C85 2.058(14) . ?
Fe4 C86 2.077(13) . ?
Fe4 C81 2.087(13) . ?
Fe4 C80 2.092(13) . ?
Fe4 C88 2.096(14) . ?
Fe4 C87 2.109(15) . ?
Fe4 C84 2.115(13) . ?
Fe4 C79 2.115(14) . ?
Fe4 C83 2.149(17) . ?
Fe5 C108 2.05(2) . ?
Fe5 C110 2.066(16) . ?
Fe5 C104 2.075(17) . ?
Fe5 C102 2.076(16) . ?
Fe5 C103 2.093(18) . ?
Fe5 C101 2.112(18) . ?
Fe5 C105 2.115(17) . ?
Fe5 C106 2.119(17) . ?
Fe5 C107 2.12(2) . ?
Fe5 C109 2.13(2) . ?
Fe6 C128 2.044(14) . ?
Fe6 C125 2.077(16) . ?
Fe6 C132 2.077(13) . ?
Fe6 C126 2.093(17) . ?
Fe6 C129 2.094(14) . ?
Fe6 C127 2.099(15) . ?
Fe6 C124 2.104(15) . ?
Fe6 C130 2.110(16) . ?
Fe6 C131 2.121(18) . ?
Fe6 C123 2.139(12) . ?
P1 C17 1.775(15) . ?
P1 C12 1.821(16) . ?
P1 C23 1.830(15) . ?
P2 C45 1.829(15) . ?
P2 C34 1.832(13) . ?
P2 C39 1.835(16) . ?
P3 C61 1.771(16) . ?
P3 C56 1.801(15) . ?
P3 C67 1.818(16) . ?
P4 C84 1.815(12) . ?
P4 C89 1.816(15) . ?
P4 C95 1.838(15) . ?
P5 C106 1.778(19) . ?
P5 C111 1.81(2) . ?
P5 C117 1.827(19) . ?
P6 C133 1.808(14) . ?
P6 C139 1.825(18) . ?
P6 C128 1.831(16) . ?
C1 C6 1.357(17) . ?
C1 C2 1.401(18) . ?
C1 C7 1.437(18) . ?
C2 C3 1.378(19) . ?
C3 C4 1.371(18) . ?
C3 C29 1.500(18) . ?
C4 C5 1.347(17) . ?
C5 C6 1.432(18) . ?
C5 C51 1.470(18) . ?
C7 C8 1.43(2) . ?
C7 C11 1.46(2) . ?
C8 C9 1.41(2) . ?
C9 C10 1.38(2) . ?
C10 C11 1.42(2) . ?
C12 C13 1.40(2) . ?
C12 C16 1.44(2) . ?
C13 C14 1.37(2) . ?
C14 C15 1.42(2) . ?
C15 C16 1.44(2) . ?
C17 C18 1.35(2) . ?
C17 C22 1.39(2) . ?
C18 C19 1.39(2) . ?
C19 C20 1.32(3) . ?
C20 C21 1.42(3) . ?
C21 C22 1.46(2) . ?
C23 C28 1.38(2) . ?
C23 C24 1.40(2) . ?
C24 C25 1.33(2) . ?
C25 C26 1.37(2) . ?
C26 C27 1.40(2) . ?
C27 C28 1.40(2) . ?
C29 C33 1.393(17) . ?
C29 C30 1.424(19) . ?
C30 C31 1.451(19) . ?
C31 C32 1.38(2) . ?
C32 C33 1.433(19) . ?
C34 C38 1.398(18) . ?
C34 C35 1.413(19) . ?
C35 C36 1.385(19) . ?
C36 C37 1.37(2) . ?
C37 C38 1.40(2) . ?
C39 C40 1.33(2) . ?
C39 C44 1.35(2) . ?
C40 C41 1.34(2) . ?
C41 C42 1.43(3) . ?
C42 C43 1.39(3) . ?
C43 C44 1.37(2) . ?
C45 C50 1.34(2) . ?
C45 C46 1.41(2) . ?
C46 C47 1.43(2) . ?
C47 C48 1.39(3) . ?
C48 C49 1.39(3) . ?
C49 C50 1.37(2) . ?
C51 C52 1.391(19) . ?
C51 C55 1.411(18) . ?
C52 C53 1.42(2) . ?
C53 C54 1.42(2) . ?
C54 C55 1.37(2) . ?
C56 C60 1.432(18) . ?
C56 C57 1.45(2) . ?
C57 C58 1.40(2) . ?
C58 C59 1.40(2) . ?
C59 C60 1.40(2) . ?
C61 C62 1.33(2) . ?
C61 C66 1.44(2) . ?
C62 C63 1.40(2) . ?
C63 C64 1.37(3) . ?
C64 C65 1.35(3) . ?
C65 C66 1.40(3) . ?
C67 C68 1.38(2) . ?
C67 C72 1.44(2) . ?
C68 C69 1.37(2) . ?
C69 C70 1.40(3) . ?
C70 C71 1.41(2) . ?
C71 C72 1.30(2) . ?
C73 C78 1.366(19) . ?
C73 C74 1.398(19) . ?
C73 C79 1.475(18) . ?
C74 C75 1.39(2) . ?
C75 C76 1.38(2) . ?
C75 C101 1.47(2) . ?
C76 C77 1.33(2) . ?
C77 C78 1.395(19) . ?
C77 C123 1.46(2) . ?
C79 C80 1.446(18) . ?
C79 C83 1.46(2) . ?
C80 C81 1.39(2) . ?
C81 C82 1.40(2) . ?
C82 C83 1.42(2) . ?
C84 C85 1.405(19) . ?
C84 C88 1.442(17) . ?
C85 C86 1.399(19) . ?
C86 C87 1.387(19) . ?
C87 C88 1.388(18) . ?
C89 C90 1.362(19) . ?
C89 C94 1.362(19) . ?
C90 C91 1.39(2) . ?
C91 C92 1.38(2) . ?
C92 C93 1.38(2) . ?
C93 C94 1.396(19) . ?
C95 C96 1.371(19) . ?
C95 C100 1.379(18) . ?
C96 C97 1.35(2) . ?
C97 C98 1.37(2) . ?
C98 C99 1.38(2) . ?
C99 C100 1.35(2) . ?
C101 C102 1.42(2) . ?
C101 C105 1.44(2) . ?
C102 C103 1.41(2) . ?
C103 C104 1.42(3) . ?
C104 C105 1.41(2) . ?
C106 C107 1.47(2) . ?
C106 C110 1.47(3) . ?
C107 C108 1.38(3) . ?
C108 C109 1.40(3) . ?
C109 C110 1.40(2) . ?
C111 C116 1.36(2) . ?
C111 C112 1.38(2) . ?
C112 C113 1.36(2) . ?
C113 C114 1.33(3) . ?
C114 C115 1.35(3) . ?
C115 C116 1.43(3) . ?
C117 C118 1.36(3) . ?
C117 C122 1.42(3) . ?
C118 C119 1.37(2) . ?
C119 C120 1.46(3) . ?
C120 C121 1.33(3) . ?
C121 C122 1.40(3) . ?
C123 C127 1.44(2) . ?
C123 C124 1.45(2) . ?
C124 C125 1.45(2) . ?
C125 C126 1.38(2) . ?
C126 C127 1.425(19) . ?
C128 C129 1.433(19) . ?
C128 C132 1.46(2) . ?
C129 C130 1.38(2) . ?
C130 C131 1.48(2) . ?
C131 C132 1.40(2) . ?
C133 C134 1.378(19) . ?
C133 C138 1.42(2) . ?
C134 C135 1.395(19) . ?
C135 C136 1.38(2) . ?
C136 C137 1.27(2) . ?
C137 C138 1.37(2) . ?
C139 C140 1.34(2) . ?
C139 C144 1.40(3) . ?
C140 C141 1.43(3) . ?
C141 C142 1.38(4) . ?
C142 C143 1.28(4) . ?
C143 C144 1.31(3) . ?
Al1 O1 1.713(9) . ?
Al1 O4 1.713(10) . ?
Al1 O3 1.714(8) . ?
Al1 O2 1.730(8) . ?
F1 C146 1.291(15) . ?
F2 C146 1.366(15) . ?
F3 C146 1.329(16) . ?
F4 C147 1.285(15) . ?
F5 C147 1.257(15) . ?
F6 C147 1.393(15) . ?
F7 C148 1.283(15) . ?
F8 C148 1.382(15) . ?
F9 C148 1.370(16) . ?
F10 C150 1.364(15) . ?
F11 C150 1.301(15) . ?
F12 C150 1.324(15) . ?
F13 C151 1.311(15) . ?
F14 C151 1.354(14) . ?
F15 C151 1.325(14) . ?
F16 C152 1.336(12) . ?
F17 C152 1.335(12) . ?
F18 C152 1.332(13) . ?
F19 C154 1.306(14) . ?
F20 C154 1.355(15) . ?
F21 C154 1.313(15) . ?
F22 C155 1.306(15) . ?
F23 C155 1.320(15) . ?
F24 C155 1.339(14) . ?
F25 C156 1.333(12) . ?
F26 C156 1.345(12) . ?
F27 C156 1.361(12) . ?
F28 C158 1.291(17) . ?
F29 C158 1.354(17) . ?
F30 C158 1.329(16) . ?
F31 C159 1.304(17) . ?
F32 C159 1.328(16) . ?
F33 C159 1.335(16) . ?
F34 C160 1.312(13) . ?
F35 C160 1.342(13) . ?
F36 C160 1.327(13) . ?
O1 C145 1.338(12) . ?
O2 C149 1.326(12) . ?
O3 C153 1.343(12) . ?
O4 C157 1.348(13) . ?
C145 C148 1.486(16) . ?
C145 C147 1.530(17) . ?
C145 C146 1.545(18) . ?
C149 C151 1.520(16) . ?
C149 C150 1.542(16) . ?
C149 C152 1.550(17) . ?
C153 C156 1.492(16) . ?
C153 C155 1.546(15) . ?
C153 C154 1.598(16) . ?
C157 C158 1.534(17) . ?
C157 C160 1.549(18) . ?
C157 C159 1.598(18) . ?
Al2 O7 1.688(10) . ?
Al2 O5 1.703(10) . ?
Al2 O8 1.713(9) . ?
Al2 O6 1.726(10) . ?
F37 C162 1.291(16) . ?
F38 C162 1.352(17) . ?
F39 C162 1.346(17) . ?
F40 C163 1.301(16) . ?
F41 C163 1.235(16) . ?
F42 C163 1.399(16) . ?
F43 C164 1.274(17) . ?
F44 C164 1.385(17) . ?
F45 C164 1.354(17) . ?
F46 C166 1.344(16) . ?
F47 C166 1.300(15) . ?
F48 C166 1.304(15) . ?
F49 C167 1.315(17) . ?
F50 C167 1.303(16) . ?
F51 C167 1.312(15) . ?
F52 C168 1.306(13) . ?
F53 C168 1.362(13) . ?
F54 C168 1.339(13) . ?
F55 C170 1.298(15) . ?
F56 C170 1.358(16) . ?
F57 C170 1.288(15) . ?
F58 C171 1.302(16) . ?
F59 C171 1.295(16) . ?
F60 C171 1.346(17) . ?
F61 C172 1.330(13) . ?
F62 C172 1.329(13) . ?
F63 C172 1.321(13) . ?
F64 C174 1.274(17) . ?
F65 C174 1.339(16) . ?
F66 C174 1.325(16) . ?
F67 C175 1.300(17) . ?
F68 C175 1.325(17) . ?
F69 C175 1.316(16) . ?
F70 C176 1.319(12) . ?
F71 C176 1.336(12) . ?
F72 C176 1.338(12) . ?
O5 C161 1.322(13) . ?
O6 C165 1.321(13) . ?
O7 C169 1.332(14) . ?
O8 C173 1.331(13) . ?
C161 C164 1.476(18) . ?
C161 C163 1.528(18) . ?
C161 C162 1.533(18) . ?
C165 C167 1.491(17) . ?
C165 C168 1.548(18) . ?
C165 C166 1.584(17) . ?
C169 C172 1.484(17) . ?
C169 C171 1.537(17) . ?
C169 C170 1.577(17) . ?
C173 C176 1.537(18) . ?
C173 C174 1.538(18) . ?
C173 C175 1.596(19) . ?
Al3 O11 1.676(9) . ?
Al3 O12 1.704(10) . ?
Al3 O10 1.718(9) . ?
Al3 O9 1.734(9) . ?
F73 C178 1.307(16) . ?
F74 C178 1.392(17) . ?
F75 C178 1.316(16) . ?
F76 C179 1.271(16) . ?
F77 C179 1.288(15) . ?
F78 C179 1.423(16) . ?
F79 C180 1.259(16) . ?
F80 C180 1.383(17) . ?
F81 C180 1.388(16) . ?
F82 C182 1.374(16) . ?
F83 C182 1.310(16) . ?
F84 C182 1.319(16) . ?
F85 C183 1.312(17) . ?
F86 C183 1.339(16) . ?
F87 C183 1.324(15) . ?
F88 C184 1.349(12) . ?
F89 C184 1.356(13) . ?
F90 C184 1.327(13) . ?
F91 C186 1.276(15) . ?
F92 C186 1.364(16) . ?
F93 C186 1.325(16) . ?
F94 C187 1.311(16) . ?
F95 C187 1.303(16) . ?
F96 C187 1.305(16) . ?
F97 C188 1.344(13) . ?
F98 C188 1.367(13) . ?
F99 C188 1.341(13) . ?
F100 C190 1.294(15) . ?
F101 C190 1.362(15) . ?
F102 C190 1.332(16) . ?
F103 C191 1.320(18) . ?
F104 C191 1.323(17) . ?
F105 C191 1.299(18) . ?
F106 C192 1.320(13) . ?
F107 C192 1.333(13) . ?
F108 C192 1.316(13) . ?
O9 C177 1.322(13) . ?
O10 C181 1.339(13) . ?
O11 C185 1.334(13) . ?
O12 C189 1.331(13) . ?
C177 C180 1.495(18) . ?
C177 C179 1.527(17) . ?
C177 C178 1.571(19) . ?
C181 C183 1.526(18) . ?
C181 C182 1.537(17) . ?
C181 C184 1.549(18) . ?
C185 C188 1.486(17) . ?
C185 C187 1.536(17) . ?
C185 C186 1.606(17) . ?
C189 C190 1.531(17) . ?
C189 C192 1.552(19) . ?
C189 C191 1.580(19) . ?
Al4 O14 1.675(9) . ?
Al4 O15 1.691(8) . ?
Al4 O16 1.710(9) . ?
Al4 O13 1.712(10) . ?
F109 C194 1.305(17) . ?
F110 C194 1.382(18) . ?
F111 C194 1.309(17) . ?
F112 C195 1.250(15) . ?
F113 C195 1.271(15) . ?
F114 C195 1.437(17) . ?
F115 C196 1.238(16) . ?
F116 C196 1.382(16) . ?
F117 C196 1.347(16) . ?
F118 C198 1.347(14) . ?
F119 C198 1.301(14) . ?
F120 C198 1.298(15) . ?
F121 C199 1.296(15) . ?
F122 C199 1.315(14) . ?
F123 C199 1.327(13) . ?
F124 C200 1.318(14) . ?
F125 C200 1.350(14) . ?
F126 C200 1.342(14) . ?
F127 C202 1.305(15) . ?
F128 C202 1.404(16) . ?
F129 C202 1.295(16) . ?
F130 C203 1.270(16) . ?
F131 C203 1.360(17) . ?
F132 C203 1.374(16) . ?
F133 C204 1.399(14) . ?
F134 C204 1.331(13) . ?
F135 C204 1.321(13) . ?
F136 C206 1.289(17) . ?
F137 C206 1.352(16) . ?
F138 C206 1.325(17) . ?
F139 C207 1.327(18) . ?
F140 C207 1.388(18) . ?
F141 C207 1.309(18) . ?
F142 C208 1.358(15) . ?
F143 C208 1.352(15) . ?
F144 C208 1.386(15) . ?
O13 C193 1.312(13) . ?
O14 C197 1.328(13) . ?
O15 C201 1.326(13) . ?
O16 C205 1.357(13) . ?
C193 C196 1.506(18) . ?
C193 C195 1.518(18) . ?
C193 C194 1.549(19) . ?
C197 C199 1.493(16) . ?
C197 C198 1.541(15) . ?
C197 C200 1.552(18) . ?
C201 C204 1.480(18) . ?
C201 C203 1.572(17) . ?
C201 C202 1.582(18) . ?
C205 C208 1.55(2) . ?
C205 C206 1.585(19) . ?
C205 C207 1.608(19) . ?
F924 C900 1.337(14) . ?
F925 C900 1.321(14) . ?
F926 C900 1.336(14) . ?
F933 C904 1.338(16) . ?
F934 C904 1.331(16) . ?
F935 C904 1.345(16) . ?
F942 C908 1.383(15) . ?
F943 C908 1.45(4) . ?
F944 C908 1.10(4) . ?
Cl7 C209 1.804(13) . ?
Cl8 C210 1.771(13) . ?
C209 C210 1.412(18) . ?
Cl9 C211 1.794(12) . ?
Cl10 C212 1.789(12) . ?
C211 C212 1.403(17) . ?
Cl11 C213 1.782(16) . ?
Cl12 C214 1.749(16) . ?
C213 C214 1.40(2) . ?
Cl13 C215 1.793(12) . ?
C215 C215 1.52(3) 2_756 ?
