#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:36:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179508 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/05/4340540.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_4340540
loop_
_publ_author_name
'Jayarathne, Upul'
'Chandrasekaran, Perumalreddy'
'Greene, Angelique F.'
'Mague, Joel T.'
'DeBeer, Serena'
'Lancaster, Kyle M.'
'Sproules, Stephen'
'Donahue, James P.'
_publ_section_title
;
 X-ray Absorption Spectroscopy Systematics at the Tungsten L-Edge.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8230
_journal_page_last               8241
_journal_paper_doi               10.1021/ic500256a
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C52 H48 Cl2 P4 W, F6 P'
_chemical_formula_sum            'C52 H48 Cl2 F6 P5 W'
_chemical_formula_weight         1196.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.3790(1)
_cell_angle_beta                 98.9950(1)
_cell_angle_gamma                90.9070(1)
_cell_formula_units_Z            4
_cell_length_a                   13.2421(8)
_cell_length_b                   19.2470(11)
_cell_length_c                   19.6380(11)
_cell_measurement_reflns_used    9884
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.25
_cell_measurement_theta_min      2.53
_cell_volume                     4857.7(5)
_computing_cell_refinement       'Bruker SAINT (Bruker-AXS 2009a)'
_computing_data_collection       'Bruker APEX2 (Bruker-AXS, 2009)'
_computing_data_reduction        'Bruker SAINT (Bruker-AXS 2009a)'
_computing_molecular_graphics    'Bruker SHELXTL(Bruker-AXS 2008)'
_computing_publication_material  'Bruker SHELXTL(Bruker-AXS 2008)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            85478
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    2.713
_exptl_absorpt_correction_T_max  0.7884
_exptl_absorpt_correction_T_min  0.5902
_exptl_absorpt_correction_type   'Integration Numerical Gaussian'
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008a)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Slab
_exptl_crystal_F_000             2388
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         3.584
_refine_diff_density_min         -3.103
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1130
_refine_ls_number_reflns         23262
_refine_ls_number_restraints     220
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0307P)²+30.9838P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1121
_reflns_number_gt                16625
_reflns_number_total             23262
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic500256a_si_003.cif
_cod_data_source_block           jpd362a_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340540--4340541.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4340540
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.0000 0.0000 0.0000 0.02582(7) Uani 1 2 d SD . .
Cl1 Cl -0.05079(11) -0.01510(7) 0.10453(8) 0.0365(3) Uani 1 1 d . A .
P1 P 0.1546(5) 0.0691(4) 0.0793(3) 0.0322(12) Uani 0.50 1 d PD A 1
C1 C 0.1686(3) 0.11350(18) 0.16746(18) 0.0168(14) Uani 0.50 1 d PGD A 1
C2 C 0.0825(3) 0.1334(3) 0.1973(2) 0.025(2) Uani 0.50 1 d PG A 1
H2A H 0.0161 0.1208 0.1712 0.030 Uiso 0.50 1 calc PR A 1
C3 C 0.0936(4) 0.1718(3) 0.2654(2) 0.0261(15) Uani 0.50 1 d PG A 1
H3A H 0.0348 0.1854 0.2858 0.031 Uiso 0.50 1 calc PR A 1
C4 C 0.1908(4) 0.1902(3) 0.30357(17) 0.0296(16) Uani 0.50 1 d PG A 1
H4A H 0.1984 0.2164 0.3501 0.035 Uiso 0.50 1 calc PR A 1
C5 C 0.2769(4) 0.1703(3) 0.27370(18) 0.0376(19) Uani 0.50 1 d PG A 1
H5A H 0.3433 0.1829 0.2998 0.045 Uiso 0.50 1 calc PR A 1
C6 C 0.2658(3) 0.1319(3) 0.20565(19) 0.0277(15) Uani 0.50 1 d PG A 1
H6A H 0.3246 0.1183 0.1852 0.033 Uiso 0.50 1 calc PR A 1
C7 C 0.1953(3) 0.1398(2) 0.03268(17) 0.0213(17) Uani 0.50 1 d PGDU A 1
C8 C 0.1577(3) 0.2061(2) 0.05292(18) 0.0233(12) Uani 0.50 1 d PGU A 1
H8A H 0.1211 0.2144 0.0913 0.028 Uiso 0.50 1 calc PR A 1
C9 C 0.1738(5) 0.2602(2) 0.0170(2) 0.0280(19) Uani 0.50 1 d PGU A 1
H9A H 0.1481 0.3055 0.0308 0.034 Uiso 0.50 1 calc PR A 1
C10 C 0.2274(5) 0.2480(3) -0.0392(2) 0.041(2) Uani 0.50 1 d PGU A 1
H10A H 0.2384 0.2850 -0.0637 0.049 Uiso 0.50 1 calc PR A 1
C11 C 0.2649(4) 0.1817(3) -0.0594(2) 0.0297(18) Uani 0.50 1 d PGU A 1
H11A H 0.3016 0.1734 -0.0978 0.036 Uiso 0.50 1 calc PR A 1
C12 C 0.2489(4) 0.1276(3) -0.02348(19) 0.0273(16) Uani 0.50 1 d PGU A 1
H12A H 0.2745 0.0823 -0.0373 0.033 Uiso 0.50 1 calc PR A 1
C13 C 0.2660(7) 0.0094(5) 0.0775(5) 0.0220(14) Uani 0.50 1 d PDU A 1
H13A H 0.3281 0.0383 0.0767 0.026 Uiso 0.50 1 calc PR A 1
H13B H 0.2769 -0.0095 0.1216 0.026 Uiso 0.50 1 calc PR A 1
C14 C 0.2559(4) -0.0513(3) 0.0178(3) 0.0259(11) Uani 0.50 1 d PDU A 1
H14A H 0.3090 -0.0853 0.0280 0.031 Uiso 0.50 1 calc PR A 1
H14B H 0.2678 -0.0340 -0.0249 0.031 Uiso 0.50 1 calc PR A 1
P1A P 0.1634(5) 0.0710(4) 0.0571(3) 0.0322(12) Uani 0.50 1 d PDU A 2
C1A C 0.1970(3) 0.09541(18) 0.13947(18) 0.0168(14) Uani 0.50 1 d PGDU A 2
C2A C 0.1234(3) 0.1223(3) 0.1792(2) 0.025(2) Uani 0.50 1 d PGU A 2
H2AA H 0.0545 0.1243 0.1572 0.030 Uiso 0.50 1 calc PR A 2
C3A C 0.1506(4) 0.1462(3) 0.2510(2) 0.0261(15) Uani 0.50 1 d PGU A 2
H3AA H 0.1003 0.1646 0.2781 0.031 Uiso 0.50 1 calc PR A 2
C4A C 0.2513(5) 0.1433(3) 0.28308(17) 0.0296(16) Uani 0.50 1 d PGU A 2
H4AA H 0.2699 0.1597 0.3321 0.035 Uiso 0.50 1 calc PR A 2
C5A C 0.3249(4) 0.1165(3) 0.2434(2) 0.0376(19) Uani 0.50 1 d PGU A 2
H5AA H 0.3937 0.1145 0.2653 0.045 Uiso 0.50 1 calc PR A 2
C6A C 0.2977(4) 0.0925(2) 0.1716(2) 0.0277(15) Uani 0.50 1 d PGU A 2
H6AA H 0.3480 0.0741 0.1445 0.033 Uiso 0.50 1 calc PR A 2
C7A C 0.1831(3) 0.1579(2) 0.01855(16) 0.0213(17) Uani 0.50 1 d PGDU A 2
C8A C 0.1402(3) 0.2154(2) 0.0554(2) 0.0233(12) Uani 0.50 1 d PGU A 2
H8AA H 0.1089 0.2101 0.0946 0.028 Uiso 0.50 1 calc PR A 2
C9A C 0.1431(5) 0.2808(2) 0.0348(2) 0.0280(19) Uani 0.50 1 d PGU A 2
H9AA H 0.1138 0.3201 0.0600 0.034 Uiso 0.50 1 calc PR A 2
C10A C 0.1889(5) 0.2885(3) -0.0226(2) 0.041(2) Uani 0.50 1 d PGU A 2
H10B H 0.1909 0.3332 -0.0366 0.049 Uiso 0.50 1 calc PR A 2
C11A C 0.2318(4) 0.2310(3) -0.0594(2) 0.0297(18) Uani 0.50 1 d PGU A 2
H11B H 0.2631 0.2363 -0.0986 0.036 Uiso 0.50 1 calc PR A 2
C12A C 0.2289(4) 0.1656(3) -0.03883(18) 0.0273(16) Uani 0.50 1 d PGU A 2
H12B H 0.2582 0.1263 -0.0640 0.033 Uiso 0.50 1 calc PR A 2
C13A C 0.2680(7) 0.0224(5) 0.0113(5) 0.0220(14) Uani 0.50 1 d PD A 2
H13C H 0.2589 0.0270 -0.0387 0.026 Uiso 0.50 1 calc PR A 2
H13D H 0.3369 0.0422 0.0344 0.026 Uiso 0.50 1 calc PR A 2
C14A C 0.2559(4) -0.0513(3) 0.0178(3) 0.0259(11) Uani 0.50 1 d PD A 2
H14C H 0.2874 -0.0549 0.0661 0.031 Uiso 0.50 1 calc PR A 2
H14D H 0.2977 -0.0789 -0.0142 0.031 Uiso 0.50 1 calc PR A 2
P2 P 0.12895(9) -0.09698(7) 0.00108(7) 0.0204(2) Uani 1 1 d . A .
C15 C 0.1323(4) -0.1615(3) -0.0794(3) 0.0220(10) Uani 1 1 d . . .
C16 C 0.1711(4) -0.1420(3) -0.1363(3) 0.0302(12) Uani 1 1 d . A .
H16 H 0.1973 -0.0951 -0.1330 0.036 Uiso 1 1 calc R . .
C17 C 0.1710(5) -0.1913(3) -0.1974(3) 0.0384(14) Uani 1 1 d . . .
H17 H 0.1985 -0.1781 -0.2353 0.046 Uiso 1 1 calc R A .
C18 C 0.1308(5) -0.2599(3) -0.2034(3) 0.0343(13) Uani 1 1 d . A .
H18 H 0.1291 -0.2929 -0.2459 0.041 Uiso 1 1 calc R . .
C19 C 0.0938(4) -0.2797(3) -0.1478(3) 0.0272(11) Uani 1 1 d . . .
H19 H 0.0677 -0.3267 -0.1516 0.033 Uiso 1 1 calc R A .
C20 C 0.0945(4) -0.2309(3) -0.0859(3) 0.0227(10) Uani 1 1 d . A .
H20 H 0.0689 -0.2451 -0.0477 0.027 Uiso 1 1 calc R . .
C21 C 0.1360(4) -0.1548(3) 0.0660(3) 0.0230(10) Uani 1 1 d . . .
C22 C 0.0487(4) -0.1725(3) 0.0920(3) 0.0270(11) Uani 1 1 d . A .
H22 H -0.0140 -0.1513 0.0790 0.032 Uiso 1 1 calc R . .
C23 C 0.0533(5) -0.2211(3) 0.1367(3) 0.0320(12) Uani 1 1 d . . .
H23 H -0.0064 -0.2325 0.1545 0.038 Uiso 1 1 calc R A .
C24 C 0.1437(5) -0.2529(3) 0.1558(3) 0.0318(12) Uani 1 1 d . A .
H24 H 0.1463 -0.2862 0.1863 0.038 Uiso 1 1 calc R . .
C25 C 0.2311(4) -0.2355(3) 0.1299(3) 0.0303(12) Uani 1 1 d . . .
H25 H 0.2936 -0.2569 0.1429 0.036 Uiso 1 1 calc R A .
C26 C 0.2271(4) -0.1872(3) 0.0853(3) 0.0280(11) Uani 1 1 d . A .
H26 H 0.2869 -0.1759 0.0676 0.034 Uiso 1 1 calc R . .
W2 W 0.5000 0.5000 1.0000 0.01200(6) Uani 1 2 d S . .
Cl2 Cl 0.64889(8) 0.56991(6) 1.01492(6) 0.0194(2) Uani 1 1 d . . .
P3 P 0.51805(9) 0.43296(6) 0.87879(6) 0.0150(2) Uani 1 1 d . . .
P4 P 0.39784(9) 0.57471(6) 0.91860(6) 0.0152(2) Uani 1 1 d . . .
C27 C 0.6289(4) 0.4557(2) 0.8413(2) 0.0172(9) Uani 1 1 d . . .
C28 C 0.7252(4) 0.4589(3) 0.8823(3) 0.0233(10) Uani 1 1 d . . .
H28 H 0.7307 0.4554 0.9303 0.028 Uiso 1 1 calc R . .
C29 C 0.8131(4) 0.4672(3) 0.8540(3) 0.0277(11) Uani 1 1 d . . .
H29 H 0.8784 0.4680 0.8822 0.033 Uiso 1 1 calc R . .
C30 C 0.8056(4) 0.4745(3) 0.7841(3) 0.0298(12) Uani 1 1 d . . .
H30 H 0.8656 0.4807 0.7646 0.036 Uiso 1 1 calc R . .
C31 C 0.7109(4) 0.4726(3) 0.7436(3) 0.0314(12) Uani 1 1 d . . .
H31 H 0.7057 0.4777 0.6960 0.038 Uiso 1 1 calc R . .
C32 C 0.6224(4) 0.4632(3) 0.7716(2) 0.0243(10) Uani 1 1 d . . .
H32 H 0.5573 0.4620 0.7430 0.029 Uiso 1 1 calc R . .
C33 C 0.5092(4) 0.3363(3) 0.8565(2) 0.0203(9) Uani 1 1 d . . .
C34 C 0.5084(4) 0.3030(3) 0.7868(3) 0.0285(11) Uani 1 1 d . . .
H34 H 0.5146 0.3306 0.7520 0.034 Uiso 1 1 calc R . .
C35 C 0.4988(5) 0.2301(3) 0.7686(3) 0.0362(13) Uani 1 1 d . . .
H35 H 0.4970 0.2079 0.7211 0.043 Uiso 1 1 calc R . .
C36 C 0.4919(5) 0.1890(3) 0.8195(3) 0.0359(13) Uani 1 1 d . . .
H36 H 0.4864 0.1389 0.8070 0.043 Uiso 1 1 calc R . .
C37 C 0.4930(4) 0.2217(3) 0.8884(3) 0.0300(12) Uani 1 1 d . . .
H37 H 0.4885 0.1941 0.9234 0.036 Uiso 1 1 calc R . .
C38 C 0.5008(4) 0.2952(3) 0.9065(3) 0.0236(10) Uani 1 1 d . . .
H38 H 0.5003 0.3174 0.9538 0.028 Uiso 1 1 calc R . .
C39 C 0.4065(3) 0.4533(3) 0.8178(2) 0.0197(9) Uani 1 1 d . . .
H39A H 0.4145 0.4331 0.7689 0.024 Uiso 1 1 calc R . .
H39B H 0.3435 0.4314 0.8278 0.024 Uiso 1 1 calc R . .
C40 C 0.3970(4) 0.5325(2) 0.8257(2) 0.0191(9) Uani 1 1 d . . .
H40A H 0.3325 0.5426 0.7970 0.023 Uiso 1 1 calc R . .
H40B H 0.4546 0.5531 0.8081 0.023 Uiso 1 1 calc R . .
C41 C 0.4389(3) 0.6653(2) 0.9153(2) 0.0173(9) Uani 1 1 d . . .
C42 C 0.5404(4) 0.6769(3) 0.9068(2) 0.0209(9) Uani 1 1 d . . .
H42 H 0.5853 0.6388 0.9040 0.025 Uiso 1 1 calc R . .
C43 C 0.5757(4) 0.7439(3) 0.9024(3) 0.0284(11) Uani 1 1 d . . .
H43 H 0.6446 0.7515 0.8964 0.034 Uiso 1 1 calc R . .
C44 C 0.5106(4) 0.8001(3) 0.9066(3) 0.0282(11) Uani 1 1 d . . .
H44 H 0.5353 0.8461 0.9043 0.034 Uiso 1 1 calc R . .
C45 C 0.4106(4) 0.7887(3) 0.9141(3) 0.0271(11) Uani 1 1 d . . .
H45 H 0.3661 0.8270 0.9165 0.032 Uiso 1 1 calc R . .
C46 C 0.3736(4) 0.7212(3) 0.9184(3) 0.0230(10) Uani 1 1 d . . .
H46 H 0.3042 0.7138 0.9233 0.028 Uiso 1 1 calc R . .
C47 C 0.2627(3) 0.5775(2) 0.9271(2) 0.0167(9) Uani 1 1 d . . .
C48 C 0.2315(4) 0.6224(3) 0.9837(2) 0.0213(10) Uani 1 1 d . . .
H48 H 0.2799 0.6542 1.0157 0.026 Uiso 1 1 calc R . .
C49 C 0.1295(4) 0.6205(3) 0.9930(3) 0.0245(10) Uani 1 1 d . . .
H49 H 0.1086 0.6516 1.0310 0.029 Uiso 1 1 calc R . .
C50 C 0.0582(4) 0.5737(3) 0.9475(3) 0.0285(11) Uani 1 1 d . . .
H50 H -0.0108 0.5717 0.9550 0.034 Uiso 1 1 calc R . .
C51 C 0.0888(4) 0.5299(3) 0.8907(3) 0.0281(11) Uani 1 1 d . . .
H51 H 0.0400 0.4986 0.8584 0.034 Uiso 1 1 calc R . .
C52 C 0.1905(4) 0.5316(3) 0.8809(3) 0.0219(10) Uani 1 1 d . . .
H52 H 0.2108 0.5011 0.8422 0.026 Uiso 1 1 calc R . .
W3 W 0.5000 0.5000 0.5000 0.01322(6) Uani 1 2 d S . .
Cl3 Cl 0.49149(9) 0.48736(6) 0.61422(5) 0.0206(2) Uani 1 1 d . . .
P5 P 0.36138(10) 0.58842(7) 0.51397(8) 0.0269(3) Uani 1 1 d D . .
P6 P 0.33870(10) 0.42054(7) 0.46456(7) 0.0239(3) Uani 1 1 d D . .
C53 C 0.3345(4) 0.6425(2) 0.4396(2) 0.0185(15) Uani 0.50 1 d PGD B 1
C54 C 0.4178(4) 0.6717(3) 0.4178(2) 0.0198(19) Uani 0.50 1 d PG B 1
H54A H 0.4854 0.6627 0.4375 0.024 Uiso 0.50 1 calc PR B 1
C55 C 0.4021(5) 0.7143(3) 0.3673(2) 0.029(2) Uani 0.50 1 d PG B 1
H55A H 0.4591 0.7343 0.3524 0.035 Uiso 0.50 1 calc PR B 1
C56 C 0.3032(5) 0.7276(3) 0.3386(2) 0.034(2) Uani 0.50 1 d PG B 1
H56A H 0.2925 0.7566 0.3040 0.040 Uiso 0.50 1 calc PR B 1
C57 C 0.2199(4) 0.6983(4) 0.3604(2) 0.040(3) Uani 0.50 1 d PG B 1
H57A H 0.1522 0.7074 0.3407 0.048 Uiso 0.50 1 calc PR B 1
C58 C 0.2355(4) 0.6558(3) 0.4109(2) 0.029(2) Uani 0.50 1 d PG B 1
H58A H 0.1786 0.6358 0.4258 0.034 Uiso 0.50 1 calc PR B 1
C59 C 0.3874(4) 0.6622(2) 0.5978(2) 0.0199(15) Uani 0.50 1 d PGD B 1
C60 C 0.3802(5) 0.6488(3) 0.6641(2) 0.025(2) Uani 0.50 1 d PG B 1
H60A H 0.3633 0.6023 0.6699 0.030 Uiso 0.50 1 calc PR B 1
C61 C 0.3980(5) 0.7034(3) 0.7220(2) 0.0255(17) Uani 0.50 1 d PG B 1
H61A H 0.3931 0.6942 0.7674 0.031 Uiso 0.50 1 calc PR B 1
C62 C 0.4228(5) 0.7714(3) 0.7136(2) 0.030(2) Uani 0.50 1 d PG B 1
H62A H 0.4349 0.8088 0.7532 0.036 Uiso 0.50 1 calc PR B 1
C63 C 0.4300(5) 0.7849(3) 0.6473(2) 0.025(2) Uani 0.50 1 d PG B 1
H63A H 0.4470 0.8314 0.6415 0.030 Uiso 0.50 1 calc PR B 1
C64 C 0.4123(3) 0.7302(2) 0.5894(2) 0.0224(12) Uani 0.50 1 d PG B 1
H64A H 0.4172 0.7394 0.5440 0.027 Uiso 0.50 1 calc PR B 1
C65 C 0.2560(7) 0.5378(5) 0.5377(5) 0.0222(14) Uani 0.50 1 d PD B 1
H65A H 0.2680 0.5421 0.5894 0.027 Uiso 0.50 1 calc PR B 1
H65B H 0.1916 0.5613 0.5251 0.027 Uiso 0.50 1 calc PR B 1
C66 C 0.2405(8) 0.4694(6) 0.5099(6) 0.0241(19) Uani 0.50 1 d PD B 1
H66A H 0.1761 0.4643 0.4758 0.029 Uiso 0.50 1 calc PR B 1
H66B H 0.2283 0.4445 0.5480 0.029 Uiso 0.50 1 calc PR B 1
C67 C 0.3036(3) 0.3847(2) 0.3690(2) 0.0260(14) Uani 0.50 1 d PGD B 1
C68 C 0.2014(3) 0.3789(2) 0.3377(2) 0.040(2) Uani 0.50 1 d PG B 1
H68A H 0.1498 0.3945 0.3648 0.048 Uiso 0.50 1 calc PR B 1
C69 C 0.1747(4) 0.3503(2) 0.2668(2) 0.047(3) Uani 0.50 1 d PG B 1
H69A H 0.1049 0.3464 0.2453 0.057 Uiso 0.50 1 calc PR B 1
C70 C 0.2502(5) 0.3274(3) 0.2272(2) 0.049(4) Uani 0.50 1 d PG B 1
H70A H 0.2320 0.3079 0.1787 0.059 Uiso 0.50 1 calc PR B 1
C71 C 0.3524(4) 0.3332(3) 0.2585(2) 0.033(2) Uani 0.50 1 d PG B 1
H71A H 0.4040 0.3175 0.2315 0.039 Uiso 0.50 1 calc PR B 1
C72 C 0.3791(4) 0.3618(2) 0.3295(2) 0.0261(17) Uani 0.50 1 d PG B 1
H72A H 0.4489 0.3657 0.3509 0.031 Uiso 0.50 1 calc PR B 1
C73 C 0.3250(4) 0.34688(18) 0.5039(2) 0.0222(12) Uani 0.50 1 d PGD B 1
C74 C 0.3041(4) 0.35879(19) 0.5721(3) 0.028(2) Uani 0.50 1 d PG B 1
H74A H 0.2943 0.4055 0.5950 0.033 Uiso 0.50 1 calc PR B 1
C75 C 0.2974(5) 0.3024(2) 0.6068(3) 0.034(2) Uani 0.50 1 d PG B 1
H75A H 0.2831 0.3106 0.6534 0.041 Uiso 0.50 1 calc PR B 1
C76 C 0.3116(6) 0.2341(2) 0.5733(3) 0.037(3) Uani 0.50 1 d PG B 1
H76A H 0.3071 0.1956 0.5970 0.044 Uiso 0.50 1 calc PR B 1
C77 C 0.3325(5) 0.22219(19) 0.5050(3) 0.035(3) Uani 0.50 1 d PG B 1
H77A H 0.3423 0.1755 0.4821 0.042 Uiso 0.50 1 calc PR B 1
C78 C 0.3392(4) 0.27858(18) 0.4703(3) 0.0281(15) Uani 0.50 1 d PG B 1
H78A H 0.3535 0.2704 0.4237 0.034 Uiso 0.50 1 calc PR B 1
C53A C 0.3135(3) 0.63181(19) 0.44753(18) 0.0185(15) Uani 0.50 1 d PGD B 2
C54A C 0.3836(3) 0.6645(2) 0.4163(2) 0.0198(19) Uani 0.50 1 d PG B 2
H54B H 0.4549 0.6625 0.4320 0.024 Uiso 0.50 1 calc PR B 2
C55A C 0.3493(4) 0.7003(2) 0.3622(2) 0.029(2) Uani 0.50 1 d PG B 2
H55B H 0.3972 0.7227 0.3409 0.035 Uiso 0.50 1 calc PR B 2
C56A C 0.2450(4) 0.7034(2) 0.3393(2) 0.034(2) Uani 0.50 1 d PG B 2
H56B H 0.2216 0.7278 0.3023 0.040 Uiso 0.50 1 calc PR B 2
C57A C 0.1749(4) 0.6706(2) 0.3705(2) 0.040(3) Uani 0.50 1 d PG B 2
H57B H 0.1036 0.6727 0.3548 0.048 Uiso 0.50 1 calc PR B 2
C58A C 0.2091(3) 0.63486(19) 0.4246(2) 0.029(2) Uani 0.50 1 d PG B 2
H58B H 0.1612 0.6125 0.4459 0.034 Uiso 0.50 1 calc PR B 2
C59A C 0.3634(3) 0.65186(19) 0.58848(18) 0.0199(15) Uani 0.50 1 d PGD B 2
C60A C 0.3370(3) 0.6297(2) 0.64722(17) 0.025(2) Uani 0.50 1 d PG B 2
H60B H 0.3122 0.5825 0.6439 0.030 Uiso 0.50 1 calc PR B 2
C61A C 0.3468(4) 0.6768(2) 0.71075(18) 0.0255(17) Uani 0.50 1 d PG B 2
H61B H 0.3288 0.6617 0.7509 0.031 Uiso 0.50 1 calc PR B 2
C62A C 0.3831(4) 0.7460(2) 0.7155(2) 0.030(2) Uani 0.50 1 d PG B 2
H62B H 0.3898 0.7781 0.7590 0.036 Uiso 0.50 1 calc PR B 2
C63A C 0.4095(4) 0.7681(2) 0.6568(2) 0.025(2) Uani 0.50 1 d PG B 2
H63B H 0.4342 0.8154 0.6601 0.030 Uiso 0.50 1 calc PR B 2
C64A C 0.3996(3) 0.7210(2) 0.5933(2) 0.0224(12) Uani 0.50 1 d PG B 2
H64B H 0.4177 0.7361 0.5531 0.027 Uiso 0.50 1 calc PR B 2
C65A C 0.2326(7) 0.5394(5) 0.4920(5) 0.0222(14) Uani 0.50 1 d PD B 2
H65C H 0.1967 0.5536 0.5326 0.027 Uiso 0.50 1 calc PR B 2
H65D H 0.1934 0.5576 0.4522 0.027 Uiso 0.50 1 calc PR B 2
C66A C 0.2252(7) 0.4737(5) 0.4766(6) 0.0241(19) Uani 0.50 1 d PD B 2
H66C H 0.1755 0.4613 0.4326 0.029 Uiso 0.50 1 calc PR B 2
H66D H 0.1937 0.4570 0.5136 0.029 Uiso 0.50 1 calc PR B 2
C67A C 0.2844(4) 0.3893(3) 0.3740(3) 0.0260(14) Uani 0.50 1 d PGD B 2
C68A C 0.1803(5) 0.3921(4) 0.3500(3) 0.040(2) Uani 0.50 1 d PG B 2
H68B H 0.1353 0.4083 0.3821 0.048 Uiso 0.50 1 calc PR B 2
C69A C 0.1421(5) 0.3711(4) 0.2790(4) 0.047(3) Uani 0.50 1 d PG B 2
H69B H 0.0710 0.3730 0.2626 0.057 Uiso 0.50 1 calc PR B 2
C70A C 0.2079(6) 0.3473(4) 0.2320(3) 0.049(4) Uani 0.50 1 d PG B 2
H70B H 0.1818 0.3330 0.1835 0.059 Uiso 0.50 1 calc PR B 2
C71A C 0.3120(5) 0.3446(4) 0.2560(3) 0.033(2) Uani 0.50 1 d PG B 2
H71B H 0.3570 0.3283 0.2239 0.039 Uiso 0.50 1 calc PR B 2
C72A C 0.3502(4) 0.3656(4) 0.3270(3) 0.0261(17) Uani 0.50 1 d PG B 2
H72B H 0.4213 0.3637 0.3434 0.031 Uiso 0.50 1 calc PR B 2
C73A C 0.3394(5) 0.3366(3) 0.5050(3) 0.0222(12) Uani 0.50 1 d PGD B 2
C74A C 0.3240(6) 0.3375(3) 0.5736(3) 0.028(2) Uani 0.50 1 d PG B 2
H74B H 0.3113 0.3807 0.6023 0.033 Uiso 0.50 1 calc PR B 2
C75A C 0.3271(6) 0.2752(4) 0.6002(3) 0.034(2) Uani 0.50 1 d PG B 2
H75B H 0.3166 0.2759 0.6470 0.041 Uiso 0.50 1 calc PR B 2
C76A C 0.3457(6) 0.2120(3) 0.5582(4) 0.037(3) Uani 0.50 1 d PG B 2
H76B H 0.3478 0.1694 0.5763 0.044 Uiso 0.50 1 calc PR B 2
C77A C 0.3611(6) 0.2111(3) 0.4896(4) 0.035(3) Uani 0.50 1 d PG B 2
H77B H 0.3737 0.1679 0.4609 0.042 Uiso 0.50 1 calc PR B 2
C78A C 0.3579(4) 0.2734(3) 0.4630(3) 0.0281(15) Uani 0.50 1 d PG B 2
H78B H 0.3684 0.2727 0.4162 0.034 Uiso 0.50 1 calc PR B 2
W4 W 1.0000 0.0000 0.5000 0.02083(7) Uani 1 2 d S . .
Cl4 Cl 1.14941(10) 0.07117(7) 0.52628(7) 0.0311(3) Uani 1 1 d . . .
P7 P 1.03060(11) -0.03875(7) 0.37371(7) 0.0258(3) Uani 1 1 d D . .
P8 P 0.88868(10) 0.08471(7) 0.43788(7) 0.0246(3) Uani 1 1 d . . .
C79 C 0.9603(4) -0.1209(3) 0.3292(3) 0.0319(12) Uani 1 1 d . C .
C80 C 0.8802(6) -0.1250(4) 0.2735(3) 0.0515(18) Uani 1 1 d . . .
H80 H 0.8632 -0.0841 0.2542 0.062 Uiso 1 1 calc R C .
C81 C 0.8251(6) -0.1881(5) 0.2457(3) 0.059(2) Uani 1 1 d . C .
H81 H 0.7680 -0.1893 0.2095 0.071 Uiso 1 1 calc R . .
C82 C 0.8518(6) -0.2487(4) 0.2698(4) 0.0518(18) Uani 1 1 d . . .
H82 H 0.8161 -0.2924 0.2488 0.062 Uiso 1 1 calc R C .
C83 C 0.9307(6) -0.2458(4) 0.3248(5) 0.062(2) Uani 1 1 d . C .
H83 H 0.9486 -0.2874 0.3426 0.074 Uiso 1 1 calc R . .
C84 C 0.9849(5) -0.1819(3) 0.3545(4) 0.0474(17) Uani 1 1 d . . .
H84 H 1.0394 -0.1805 0.3926 0.057 Uiso 1 1 calc R C .
C85 C 1.1606(3) -0.0447(2) 0.3495(2) 0.0289(12) Uani 0.50 1 d PGD C 1
C86 C 1.1892(4) -0.1053(2) 0.3082(3) 0.042(2) Uani 0.50 1 d PG C 1
H86A H 1.1450 -0.1465 0.2964 0.051 Uiso 0.50 1 calc PR C 1
C87 C 1.2825(4) -0.1056(2) 0.2841(3) 0.049(3) Uani 0.50 1 d PG C 1
H87A H 1.3020 -0.1470 0.2558 0.059 Uiso 0.50 1 calc PR C 1
C88 C 1.3471(3) -0.0452(3) 0.3013(3) 0.0432(17) Uani 0.50 1 d PG C 1
H88A H 1.4109 -0.0454 0.2848 0.052 Uiso 0.50 1 calc PR C 1
C89 C 1.3185(4) 0.0154(2) 0.3426(3) 0.042(2) Uani 0.50 1 d PG C 1
H89A H 1.3627 0.0566 0.3544 0.050 Uiso 0.50 1 calc PR C 1
C90 C 1.2252(4) 0.0157(2) 0.3667(3) 0.0371(19) Uani 0.50 1 d PG C 1
H90A H 1.2057 0.0571 0.3950 0.045 Uiso 0.50 1 calc PR C 1
C85A C 1.1536(3) -0.0491(2) 0.3454(2) 0.0289(12) Uani 0.50 1 d PGD C 2
C86A C 1.1566(3) -0.0692(3) 0.2741(2) 0.042(2) Uani 0.50 1 d PG C 2
H86B H 1.0947 -0.0804 0.2418 0.051 Uiso 0.50 1 calc PR C 2
C87A C 1.2501(4) -0.0731(4) 0.25018(18) 0.049(3) Uani 0.50 1 d PG C 2
H87B H 1.2521 -0.0868 0.2015 0.059 Uiso 0.50 1 calc PR C 2
C88A C 1.3406(3) -0.0567(3) 0.2975(3) 0.0432(17) Uani 0.50 1 d PG C 2
H88B H 1.4045 -0.0594 0.2811 0.052 Uiso 0.50 1 calc PR C 2
C89A C 1.3376(3) -0.0366(3) 0.3687(2) 0.042(2) Uani 0.50 1 d PG C 2
H89B H 1.3994 -0.0254 0.4010 0.050 Uiso 0.50 1 calc PR C 2
C90A C 1.2441(3) -0.0327(3) 0.39268(17) 0.0371(19) Uani 0.50 1 d PG C 2
H90B H 1.2420 -0.0190 0.4414 0.045 Uiso 0.50 1 calc PR C 2
C91 C 0.9781(5) 0.0283(3) 0.3238(3) 0.0356(13) Uani 1 1 d . C .
H91A H 1.0264 0.0701 0.3340 0.043 Uiso 1 1 calc R . .
H91B H 0.9700 0.0088 0.2730 0.043 Uiso 1 1 calc R . .
C92 C 0.8752(5) 0.0505(3) 0.3431(3) 0.0348(13) Uani 1 1 d . C .
H92A H 0.8256 0.0095 0.3301 0.042 Uiso 1 1 calc R . .
H92B H 0.8488 0.0876 0.3169 0.042 Uiso 1 1 calc R . .
C93 C 0.7557(4) 0.0869(3) 0.4526(3) 0.0253(10) Uani 1 1 d . C .
C94 C 0.7307(6) 0.1315(4) 0.5090(5) 0.061(2) Uani 1 1 d . . .
H94 H 0.7809 0.1647 0.5373 0.074 Uiso 1 1 calc R C .
C95 C 0.6323(6) 0.1291(4) 0.5259(5) 0.072(3) Uani 1 1 d . C .
H95 H 0.6169 0.1588 0.5668 0.087 Uiso 1 1 calc R . .
C96 C 0.5580(5) 0.0839(4) 0.4835(5) 0.056(2) Uani 1 1 d . . .
H96 H 0.4895 0.0850 0.4924 0.067 Uiso 1 1 calc R C .
C97 C 0.5835(5) 0.0369(4) 0.4281(4) 0.057(2) Uani 1 1 d . C .
H97 H 0.5335 0.0030 0.4005 0.069 Uiso 1 1 calc R . .
C98 C 0.6820(5) 0.0385(4) 0.4120(4) 0.0514(18) Uani 1 1 d . . .
H98 H 0.6987 0.0064 0.3731 0.062 Uiso 1 1 calc R C .
C99 C 0.9256(4) 0.1781(3) 0.4425(3) 0.0304(12) Uani 1 1 d . C .
C100 C 0.8600(5) 0.2185(3) 0.4049(3) 0.0343(13) Uani 1 1 d . . .
H100 H 0.7966 0.1982 0.3789 0.041 Uiso 1 1 calc R C .
C101 C 0.8874(5) 0.2884(3) 0.4055(3) 0.0385(14) Uani 1 1 d . C .
H101 H 0.8416 0.3160 0.3805 0.046 Uiso 1 1 calc R . .
C102 C 0.9781(5) 0.3181(4) 0.4411(5) 0.055(2) Uani 1 1 d . . .
H102 H 0.9960 0.3660 0.4407 0.065 Uiso 1 1 calc R C .
C103 C 1.0440(6) 0.2787(4) 0.4776(6) 0.075(3) Uani 1 1 d . C .
H103 H 1.1077 0.2993 0.5030 0.091 Uiso 1 1 calc R . .
C104 C 1.0176(5) 0.2082(4) 0.4776(5) 0.063(2) Uani 1 1 d . . .
H104 H 1.0641 0.1808 0.5024 0.075 Uiso 1 1 calc R C .
P9 P 0.91864(10) 0.51709(8) 0.32833(7) 0.0263(3) Uani 1 1 d . . .
F1 F 0.9153(4) 0.5845(2) 0.3874(2) 0.0683(13) Uani 1 1 d . . .
F2 F 1.0391(3) 0.5255(4) 0.3427(2) 0.095(2) Uani 1 1 d . . .
F3 F 0.9218(4) 0.4693(2) 0.3863(2) 0.0684(13) Uani 1 1 d . . .
F4 F 0.9147(4) 0.5648(2) 0.2703(2) 0.0661(13) Uani 1 1 d . . .
F5 F 0.7975(3) 0.5106(3) 0.3142(2) 0.0683(14) Uani 1 1 d . . .
F6 F 0.9215(4) 0.4504(2) 0.2697(2) 0.0755(15) Uani 1 1 d . . .
P10 P 0.59593(13) 0.01268(8) 0.18004(8) 0.0350(3) Uani 1 1 d D . .
F7 F 0.5859(4) -0.0225(2) 0.24650(19) 0.0642(13) Uani 1 1 d . D .
F8 F 0.6063(4) 0.0477(2) 0.1135(2) 0.0621(12) Uani 1 1 d . D .
F9 F 0.4998(5) 0.0607(4) 0.1940(4) 0.0745(18) Uani 0.763(5) 1 d PDU D 1
F10 F 0.6683(4) 0.0730(3) 0.2294(3) 0.0546(14) Uani 0.763(5) 1 d PDU D 1
F11 F 0.5112(6) -0.0441(3) 0.1321(3) 0.0723(19) Uani 0.763(5) 1 d PDU D 1
F12 F 0.6796(6) -0.0389(4) 0.1636(4) 0.079(2) Uani 0.763(5) 1 d PDU D 1
F9A F 0.5625(17) 0.0856(8) 0.2187(9) 0.0745(18) Uani 0.237(5) 1 d PDU D 2
F10A F 0.7204(10) 0.0256(9) 0.2049(8) 0.0546(14) Uani 0.237(5) 1 d PDU D 2
F11A F 0.4813(12) -0.0117(12) 0.1496(10) 0.0723(19) Uani 0.237(5) 1 d PDU D 2
F12A F 0.618(2) -0.0612(8) 0.1344(9) 0.079(2) Uani 0.237(5) 1 d PDU D 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
Cl1 W1 Cl1 180.0 . 2
Cl1 W1 P1A 84.65(12) . 2
Cl1 W1 P1A 95.35(12) 2 2
Cl1 W1 P1A 95.35(12) . .
Cl1 W1 P1A 84.65(12) 2 .
P1A W1 P1A 180.0 2 .
Cl1 W1 P2 85.85(4) . 2
Cl1 W1 P2 94.15(4) 2 2
P1A W1 P2 78.75(18) 2 2
P1A W1 P2 101.25(18) . 2
Cl1 W1 P2 94.15(4) . .
Cl1 W1 P2 85.85(4) 2 .
P1A W1 P2 101.25(18) 2 .
P1A W1 P2 78.75(18) . .
P2 W1 P2 180.0 2 .
Cl1 W1 P1 95.36(12) . 2
Cl1 W1 P1 84.64(12) 2 2
P1A W1 P1 169.3(2) . 2
P2 W1 P1 79.69(18) 2 2
P2 W1 P1 100.30(18) . 2
Cl1 W1 P1 84.64(12) . .
Cl1 W1 P1 95.36(12) 2 .
P1A W1 P1 169.3(2) 2 .
P2 W1 P1 100.31(18) 2 .
P2 W1 P1 79.70(18) . .
P1 W1 P1 180.0 2 .
C1 P1 C13 104.3(5) . .
C1 P1 C7 102.7(4) . .
C13 P1 C7 101.8(4) . .
C1 P1 W1 130.3(3) . .
C13 P1 W1 107.2(4) . .
C7 P1 W1 107.2(3) . .
C2 C1 C6 120.0 . .
C2 C1 P1 120.0(3) . .
C6 C1 P1 119.9(3) . .
C1 C2 C3 120.0 . .
C1 C2 H2A 120.0 . .
C3 C2 H2A 120.0 . .
C4 C3 C2 120.0 . .
C4 C3 H3A 120.0 . .
C2 C3 H3A 120.0 . .
C3 C4 C5 120.0 . .
C3 C4 H4A 120.0 . .
C5 C4 H4A 120.0 . .
C4 C5 C6 120.0 . .
C4 C5 H5A 120.0 . .
C6 C5 H5A 120.0 . .
C5 C6 C1 120.0 . .
C5 C6 H6A 120.0 . .
C1 C6 H6A 120.0 . .
C8 C7 C12 120.0 . .
C8 C7 P1 115.1(3) . .
C12 C7 P1 124.5(2) . .
C7 C8 C9 120.0 . .
C7 C8 H8A 120.0 . .
C9 C8 H8A 120.0 . .
C8 C9 C10 120.0 . .
C8 C9 H9A 120.0 . .
C10 C9 H9A 120.0 . .
C11 C10 C9 120.0 . .
C11 C10 H10A 120.0 . .
C9 C10 H10A 120.0 . .
C12 C11 C10 120.0 . .
C12 C11 H11A 120.0 . .
C10 C11 H11A 120.0 . .
C11 C12 C7 120.0 . .
C11 C12 H12A 120.0 . .
C7 C12 H12A 120.0 . .
C14 C13 P1 116.1(6) . .
C14 C13 H13A 108.3 . .
P1 C13 H13A 108.3 . .
C14 C13 H13B 108.3 . .
P1 C13 H13B 108.3 . .
H13A C13 H13B 107.4 . .
C13 C14 P2 112.3(5) . .
C13 C14 H14A 109.2 . .
P2 C14 H14A 109.2 . .
C13 C14 H14B 109.2 . .
P2 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C1A P1A C13A 113.4(5) . .
C1A P1A C7A 104.2(4) . .
C13A P1A C7A 93.1(4) . .
C1A P1A W1 124.4(3) . .
C13A P1A W1 104.0(4) . .
C7A P1A W1 113.4(3) . .
C2A C1A C6A 120.0 . .
C2A C1A P1A 118.3(3) . .
C6A C1A P1A 121.6(3) . .
C1A C2A C3A 120.0 . .
C1A C2A H2AA 120.0 . .
C3A C2A H2AA 120.0 . .
C4A C3A C2A 120.0 . .
C4A C3A H3AA 120.0 . .
C2A C3A H3AA 120.0 . .
C3A C4A C5A 120.0 . .
C3A C4A H4AA 120.0 . .
C5A C4A H4AA 120.0 . .
C4A C5A C6A 120.0 . .
C4A C5A H5AA 120.0 . .
C6A C5A H5AA 120.0 . .
C5A C6A C1A 120.0 . .
C5A C6A H6AA 120.0 . .
C1A C6A H6AA 120.0 . .
C8A C7A C12A 120.0 . .
C8A C7A P1A 111.3(2) . .
C12A C7A P1A 128.6(2) . .
C7A C8A C9A 120.0 . .
C7A C8A H8AA 120.0 . .
C9A C8A H8AA 120.0 . .
C10A C9A C8A 120.0 . .
C10A C9A H9AA 120.0 . .
C8A C9A H9AA 120.0 . .
C11A C10A C9A 120.0 . .
C11A C10A H10B 120.0 . .
C9A C10A H10B 120.0 . .
C10A C11A C12A 120.0 . .
C10A C11A H11B 120.0 . .
C12A C11A H11B 120.0 . .
C11A C12A C7A 120.0 . .
C11A C12A H12B 120.0 . .
C7A C12A H12B 120.0 . .
P1A C13A H13C 110.6 . .
P1A C13A H13D 110.6 . .
H13C C13A H13D 108.7 . .
C21 P2 C15 101.1(2) . .
C21 P2 C14 104.7(2) . .
C15 P2 C14 103.2(2) . .
C21 P2 W1 120.79(16) . .
C15 P2 W1 119.33(16) . .
C14 P2 W1 105.76(17) . .
C20 C15 C16 118.5(5) . .
C20 C15 P2 120.6(4) . .
C16 C15 P2 120.9(4) . .
C17 C16 C15 120.0(5) . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C16 C17 C18 120.5(6) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C19 C18 C17 119.9(5) . .
C19 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
C18 C19 C20 120.1(5) . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C19 C20 C15 120.9(5) . .
C19 C20 H20 119.5 . .
C15 C20 H20 119.5 . .
C22 C21 C26 118.9(5) . .
C22 C21 P2 120.8(4) . .
C26 C21 P2 120.1(4) . .
C23 C22 C21 120.2(5) . .
C23 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
C24 C23 C22 120.8(5) . .
C24 C23 H23 119.6 . .
C22 C23 H23 119.6 . .
C23 C24 C25 119.2(5) . .
C23 C24 H24 120.4 . .
C25 C24 H24 120.4 . .
C26 C25 C24 120.3(5) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C25 C26 C21 120.6(5) . .
C25 C26 H26 119.7 . .
C21 C26 H26 119.7 . .
Cl2 W2 Cl2 179.999(1) 2_667 .
Cl2 W2 P3 84.56(4) 2_667 .
Cl2 W2 P3 95.44(4) . .
Cl2 W2 P3 95.44(4) 2_667 2_667
Cl2 W2 P3 84.56(4) . 2_667
P3 W2 P3 179.998(1) . 2_667
Cl2 W2 P4 86.64(4) 2_667 .
Cl2 W2 P4 93.35(4) . .
P3 W2 P4 77.74(4) . .
P3 W2 P4 102.26(4) 2_667 .
Cl2 W2 P4 93.36(4) 2_667 2_667
Cl2 W2 P4 86.64(4) . 2_667
P3 W2 P4 102.26(4) . 2_667
P3 W2 P4 77.74(4) 2_667 2_667
P4 W2 P4 179.999(1) . 2_667
C27 P3 C33 102.9(2) . .
C27 P3 C39 104.9(2) . .
C33 P3 C39 99.6(2) . .
C27 P3 W2 117.74(15) . .
C33 P3 W2 122.38(16) . .
C39 P3 W2 106.68(15) . .
C47 P4 C41 106.1(2) . .
C47 P4 C40 104.0(2) . .
C41 P4 C40 99.8(2) . .
C47 P4 W2 112.89(15) . .
C41 P4 W2 122.47(15) . .
C40 P4 W2 109.44(15) . .
C32 C27 C28 118.6(4) . .
C32 C27 P3 122.8(4) . .
C28 C27 P3 118.3(3) . .
C29 C28 C27 120.9(4) . .
C29 C28 H28 119.5 . .
C27 C28 H28 119.5 . .
C28 C29 C30 119.9(5) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C31 C30 C29 119.5(5) . .
C31 C30 H30 120.2 . .
C29 C30 H30 120.2 . .
C30 C31 C32 120.7(5) . .
C30 C31 H31 119.6 . .
C32 C31 H31 119.6 . .
C27 C32 C31 120.3(5) . .
C27 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
C38 C33 C34 119.2(5) . .
C38 C33 P3 121.6(4) . .
C34 C33 P3 119.3(4) . .
C35 C34 C33 120.1(5) . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 120.4(5) . .
C34 C35 H35 119.8 . .
C36 C35 H35 119.8 . .
C37 C36 C35 119.5(5) . .
C37 C36 H36 120.2 . .
C35 C36 H36 120.2 . .
C36 C37 C38 120.0(5) . .
C36 C37 H37 120.0 . .
C38 C37 H37 120.0 . .
C33 C38 C37 120.8(5) . .
C33 C38 H38 119.6 . .
C37 C38 H38 119.6 . .
C40 C39 P3 110.1(3) . .
C40 C39 H39A 109.6 . .
P3 C39 H39A 109.6 . .
C40 C39 H39B 109.6 . .
P3 C39 H39B 109.6 . .
H39A C39 H39B 108.2 . .
C39 C40 P4 111.6(3) . .
C39 C40 H40A 109.3 . .
P4 C40 H40A 109.3 . .
C39 C40 H40B 109.3 . .
P4 C40 H40B 109.3 . .
H40A C40 H40B 108.0 . .
C46 C41 C42 119.5(4) . .
C46 C41 P4 123.2(4) . .
C42 C41 P4 117.3(4) . .
C43 C42 C41 120.2(5) . .
C43 C42 H42 119.9 . .
C41 C42 H42 119.9 . .
C42 C43 C44 120.3(5) . .
C42 C43 H43 119.8 . .
C44 C43 H43 119.8 . .
C45 C44 C43 119.7(5) . .
C45 C44 H44 120.1 . .
C43 C44 H44 120.1 . .
C44 C45 C46 120.7(5) . .
C44 C45 H45 119.7 . .
C46 C45 H45 119.7 . .
C41 C46 C45 119.7(5) . .
C41 C46 H46 120.2 . .
C45 C46 H46 120.2 . .
C52 C47 C48 119.0(4) . .
C52 C47 P4 120.7(4) . .
C48 C47 P4 120.1(3) . .
C49 C48 C47 120.0(5) . .
C49 C48 H48 120.0 . .
C47 C48 H48 120.0 . .
C50 C49 C48 120.8(5) . .
C50 C49 H49 119.6 . .
C48 C49 H49 119.6 . .
C49 C50 C51 119.3(5) . .
C49 C50 H50 120.3 . .
C51 C50 H50 120.3 . .
C50 C51 C52 120.2(5) . .
C50 C51 H51 119.9 . .
C52 C51 H51 119.9 . .
C47 C52 C51 120.7(5) . .
C47 C52 H52 119.7 . .
C51 C52 H52 119.7 . .
Cl3 W3 Cl3 179.999(1) . 2_666
Cl3 W3 P5 86.32(4) . .
Cl3 W3 P5 93.68(4) 2_666 .
Cl3 W3 P5 93.68(4) . 2_666
Cl3 W3 P5 86.32(4) 2_666 2_666
P5 W3 P5 179.998(1) . 2_666
Cl3 W3 P6 86.44(4) . .
Cl3 W3 P6 93.56(4) 2_666 .
P5 W3 P6 78.14(4) . .
P5 W3 P6 101.86(4) 2_666 .
Cl3 W3 P6 93.56(4) . 2_666
Cl3 W3 P6 86.44(4) 2_666 2_666
P5 W3 P6 101.85(4) . 2_666
P5 W3 P6 78.14(4) 2_666 2_666
P6 W3 P6 179.999(1) . 2_666
C53A P5 C59A 103.20(19) . .
C53A P5 C65A 84.3(3) . .
C59A P5 C65A 109.0(3) . .
C65 P5 C53 120.4(4) . .
C65 P5 C59 98.9(3) . .
C53 P5 C59 102.40(19) . .
C53A P5 W3 121.57(14) . .
C59A P5 W3 122.89(15) . .
C65 P5 W3 104.0(3) . .
C65A P5 W3 109.0(3) . .
C53 P5 W3 114.81(15) . .
C59 P5 W3 115.75(15) . .
C67A P6 C66A 89.9(4) . .
C73 P6 C67 103.8(2) . .
C73 P6 C66 92.8(4) . .
C67 P6 C66 117.7(4) . .
C67A P6 C73A 103.5(2) . .
C66A P6 C73A 113.3(4) . .
C73 P6 W3 120.28(18) . .
C67A P6 W3 122.0(2) . .
C66A P6 W3 109.7(3) . .
C67 P6 W3 115.62(16) . .
C66 P6 W3 105.2(3) . .
C73A P6 W3 115.83(19) . .
C54 C53 C58 120.0 . .
C54 C53 P5 117.9(2) . .
C58 C53 P5 122.0(2) . .
C53 C54 C55 120.0 . .
C53 C54 H54A 120.0 . .
C55 C54 H54A 120.0 . .
C56 C55 C54 120.0 . .
C56 C55 H55A 120.0 . .
C54 C55 H55A 120.0 . .
C55 C56 C57 120.0 . .
C55 C56 H56A 120.0 . .
C57 C56 H56A 120.0 . .
C56 C57 C58 120.0 . .
C56 C57 H57A 120.0 . .
C58 C57 H57A 120.0 . .
C57 C58 C53 120.0 . .
C57 C58 H58A 120.0 . .
C53 C58 H58A 120.0 . .
C60 C59 C64 120.0 . .
C60 C59 P5 122.21(14) . .
C64 C59 P5 117.78(14) . .
C59 C60 C61 120.0 . .
C59 C60 H60A 120.0 . .
C61 C60 H60A 120.0 . .
C62 C61 C60 120.0 . .
C62 C61 H61A 120.0 . .
C60 C61 H61A 120.0 . .
C61 C62 C63 120.0 . .
C61 C62 H62A 120.0 . .
C63 C62 H62A 120.0 . .
C64 C63 C62 120.0 . .
C64 C63 H63A 120.0 . .
C62 C63 H63A 120.0 . .
C63 C64 C59 120.0 . .
C63 C64 H64A 120.0 . .
C59 C64 H64A 120.0 . .
C66 C65 P5 118.9(7) . .
C66 C65 H65A 107.6 . .
P5 C65 H65A 107.6 . .
C66 C65 H65B 107.6 . .
P5 C65 H65B 107.6 . .
H65A C65 H65B 107.0 . .
C65 C66 P6 120.6(8) . .
C65 C66 H66A 107.2 . .
P6 C66 H66A 107.2 . .
C65 C66 H66B 107.2 . .
P6 C66 H66B 107.2 . .
H66A C66 H66B 106.8 . .
C68 C67 C72 120.0 . .
C68 C67 P6 119.90(12) . .
C72 C67 P6 120.08(12) . .
C67 C68 C69 120.0 . .
C67 C68 H68A 120.0 . .
C69 C68 H68A 120.0 . .
C70 C69 C68 120.0 . .
C70 C69 H69A 120.0 . .
C68 C69 H69A 120.0 . .
C71 C70 C69 120.0 . .
C71 C70 H70A 120.0 . .
C69 C70 H70A 120.0 . .
C70 C71 C72 120.0 . .
C70 C71 H71A 120.0 . .
C72 C71 H71A 120.0 . .
C71 C72 C67 120.0 . .
C71 C72 H72A 120.0 . .
C67 C72 H72A 120.0 . .
C74 C73 C78 120.0 . .
C74 C73 P6 117.80(12) . .
C78 C73 P6 122.12(12) . .
C73 C74 C75 120.0 . .
C73 C74 H74A 120.0 . .
C75 C74 H74A 120.0 . .
C76 C75 C74 120.0 . .
C76 C75 H75A 120.0 . .
C74 C75 H75A 120.0 . .
C75 C76 C77 120.0 . .
C75 C76 H76A 120.0 . .
C77 C76 H76A 120.0 . .
C78 C77 C76 120.0 . .
C78 C77 H77A 120.0 . .
C76 C77 H77A 120.0 . .
C77 C78 C73 120.0 . .
C77 C78 H78A 120.0 . .
C73 C78 H78A 120.0 . .
C54A C53A C58A 120.0 . .
C54A C53A P5 117.41(11) . .
C58A C53A P5 122.59(11) . .
C53A C54A C55A 120.0 . .
C53A C54A H54B 120.0 . .
C55A C54A H54B 120.0 . .
C56A C55A C54A 120.0 . .
C56A C55A H55B 120.0 . .
C54A C55A H55B 120.0 . .
C55A C56A C57A 120.0 . .
C55A C56A H56B 120.0 . .
C57A C56A H56B 120.0 . .
C58A C57A C56A 120.0 . .
C58A C57A H57B 120.0 . .
C56A C57A H57B 120.0 . .
C57A C58A C53A 120.0 . .
C57A C58A H58B 120.0 . .
C53A C58A H58B 120.0 . .
C60A C59A C64A 120.0 . .
C60A C59A P5 117.29(12) . .
C64A C59A P5 122.39(12) . .
C61A C60A C59A 120.0 . .
C61A C60A H60B 120.0 . .
C59A C60A H60B 120.0 . .
C60A C61A C62A 120.0 . .
C60A C61A H61B 120.0 . .
C62A C61A H61B 120.0 . .
C63A C62A C61A 120.0 . .
C63A C62A H62B 120.0 . .
C61A C62A H62B 120.0 . .
C62A C63A C64A 120.0 . .
C62A C63A H63B 120.0 . .
C64A C63A H63B 120.0 . .
C63A C64A C59A 120.0 . .
C63A C64A H64B 120.0 . .
C59A C64A H64B 120.0 . .
C66A C65A P5 121.2(8) . .
C66A C65A H65C 107.0 . .
P5 C65A H65C 107.0 . .
C66A C65A H65D 107.0 . .
P5 C65A H65D 107.0 . .
H65C C65A H65D 106.8 . .
C65A C66A P6 121.5(8) . .
C65A C66A H66C 107.0 . .
P6 C66A H66C 107.0 . .
C65A C66A H66D 107.0 . .
P6 C66A H66D 107.0 . .
H66C C66A H66D 106.7 . .
C68A C67A C72A 120.0 . .
C68A C67A P6 121.7(3) . .
C72A C67A P6 118.2(3) . .
C69A C68A C67A 120.0 . .
C69A C68A H68B 120.0 . .
C67A C68A H68B 120.0 . .
C68A C69A C70A 120.0 . .
C68A C69A H69B 120.0 . .
C70A C69A H69B 120.0 . .
C69A C70A C71A 120.0 . .
C69A C70A H70B 120.0 . .
C71A C70A H70B 120.0 . .
C72A C71A C70A 120.0 . .
C72A C71A H71B 120.0 . .
C70A C71A H71B 120.0 . .
C71A C72A C67A 120.0 . .
C71A C72A H72B 120.0 . .
C67A C72A H72B 120.0 . .
C74A C73A C78A 120.0 . .
C74A C73A P6 122.75(18) . .
C78A C73A P6 117.25(18) . .
C75A C74A C73A 120.0 . .
C75A C74A H74B 120.0 . .
C73A C74A H74B 120.0 . .
C74A C75A C76A 120.0 . .
C74A C75A H75B 120.0 . .
C76A C75A H75B 120.0 . .
C77A C76A C75A 120.0 . .
C77A C76A H76B 120.0 . .
C75A C76A H76B 120.0 . .
C76A C77A C78A 120.0 . .
C76A C77A H77B 120.0 . .
C78A C77A H77B 120.0 . .
C77A C78A C73A 120.0 . .
C77A C78A H78B 120.0 . .
C73A C78A H78B 120.0 . .
Cl4 W4 Cl4 180.0 2_756 .
Cl4 W4 P7 89.33(5) 2_756 .
Cl4 W4 P7 90.67(5) . .
Cl4 W4 P7 90.67(5) 2_756 2_756
Cl4 W4 P7 89.33(5) . 2_756
P7 W4 P7 180.0 . 2_756
Cl4 W4 P8 83.37(5) 2_756 .
Cl4 W4 P8 96.63(5) . .
P7 W4 P8 78.94(4) . .
P7 W4 P8 101.06(4) 2_756 .
Cl4 W4 P8 96.63(5) 2_756 2_756
Cl4 W4 P8 83.37(5) . 2_756
P7 W4 P8 101.06(4) . 2_756
P7 W4 P8 78.94(4) 2_756 2_756
P8 W4 P8 180.00(4) . 2_756
C79 P7 C91 104.7(3) . .
C79 P7 C85 106.4(2) . .
C91 P7 C85 100.3(2) . .
C85A P7 W4 126.03(16) . .
C79 P7 W4 113.19(18) . .
C91 P7 W4 107.43(19) . .
C85 P7 W4 122.75(15) . .
C93 P8 C99 103.8(2) . .
C93 P8 C92 102.5(3) . .
C99 P8 C92 101.5(3) . .
C93 P8 W4 115.47(17) . .
C99 P8 W4 123.71(19) . .
C92 P8 W4 107.16(18) . .
C84 C79 C80 118.0(6) . .
C84 C79 P7 118.0(5) . .
C80 C79 P7 123.8(5) . .
C81 C80 C79 120.8(7) . .
C81 C80 H80 119.6 . .
C79 C80 H80 119.6 . .
C82 C81 C80 120.7(7) . .
C82 C81 H81 119.6 . .
C80 C81 H81 119.6 . .
C81 C82 C83 119.3(7) . .
C81 C82 H82 120.3 . .
C83 C82 H82 120.3 . .
C82 C83 C84 120.3(8) . .
C82 C83 H83 119.8 . .
C84 C83 H83 119.8 . .
C79 C84 C83 120.7(7) . .
C79 C84 H84 119.6 . .
C83 C84 H84 119.6 . .
C86 C85 C90 120.0 . .
C86 C85 P7 121.1(3) . .
C90 C85 P7 118.5(3) . .
C85 C86 C87 120.0 . .
C85 C86 H86A 120.0 . .
C87 C86 H86A 120.0 . .
C88 C87 C86 120.0 . .
C88 C87 H87A 120.0 . .
C86 C87 H87A 120.0 . .
C87 C88 C89 120.0 . .
C87 C88 H88A 120.0 . .
C89 C88 H88A 120.0 . .
C90 C89 C88 120.0 . .
C90 C89 H89A 120.0 . .
C88 C89 H89A 120.0 . .
C89 C90 C85 120.0 . .
C89 C90 H90A 120.0 . .
C85 C90 H90A 120.0 . .
C86A C85A C90A 120.0 . .
C86A C85A P7 118.6(3) . .
C90A C85A P7 121.2(3) . .
C85A C86A C87A 120.0 . .
C85A C86A H86B 120.0 . .
C87A C86A H86B 120.0 . .
C88A C87A C86A 120.0 . .
C88A C87A H87B 120.0 . .
C86A C87A H87B 120.0 . .
C89A C88A C87A 120.0 . .
C89A C88A H88B 120.0 . .
C87A C88A H88B 120.0 . .
C90A C89A C88A 120.0 . .
C90A C89A H89B 120.0 . .
C88A C89A H89B 120.0 . .
C89A C90A C85A 120.0 . .
C89A C90A H90B 120.0 . .
C85A C90A H90B 120.0 . .
C92 C91 P7 110.6(4) . .
C92 C91 H91A 109.5 . .
P7 C91 H91A 109.5 . .
C92 C91 H91B 109.5 . .
P7 C91 H91B 109.5 . .
H91A C91 H91B 108.1 . .
C91 C92 P8 110.0(4) . .
C91 C92 H92A 109.7 . .
P8 C92 H92A 109.7 . .
C91 C92 H92B 109.7 . .
P8 C92 H92B 109.7 . .
H92A C92 H92B 108.2 . .
C94 C93 C98 118.9(6) . .
C94 C93 P8 119.6(5) . .
C98 C93 P8 121.0(4) . .
C93 C94 C95 120.9(7) . .
C93 C94 H94 119.5 . .
C95 C94 H94 119.5 . .
C96 C95 C94 120.0(7) . .
C96 C95 H95 120.0 . .
C94 C95 H95 120.0 . .
C95 C96 C97 119.3(6) . .
C95 C96 H96 120.3 . .
C97 C96 H96 120.3 . .
C96 C97 C98 120.4(7) . .
C96 C97 H97 119.8 . .
C98 C97 H97 119.8 . .
C93 C98 C97 120.2(6) . .
C93 C98 H98 119.9 . .
C97 C98 H98 119.9 . .
C104 C99 C100 118.6(5) . .
C104 C99 P8 122.7(4) . .
C100 C99 P8 118.5(4) . .
C101 C100 C99 119.8(6) . .
C101 C100 H100 120.1 . .
C99 C100 H100 120.1 . .
C102 C101 C100 121.2(6) . .
C102 C101 H101 119.4 . .
C100 C101 H101 119.4 . .
C101 C102 C103 119.6(6) . .
C101 C102 H102 120.2 . .
C103 C102 H102 120.2 . .
C102 C103 C104 119.9(7) . .
C102 C103 H103 120.0 . .
C104 C103 H103 120.0 . .
C99 C104 C103 120.8(6) . .
C99 C104 H104 119.6 . .
C103 C104 H104 119.6 . .
F6 P9 F2 91.2(3) . .
F6 P9 F5 89.8(3) . .
F2 P9 F5 178.7(3) . .
F6 P9 F4 88.8(3) . .
F2 P9 F4 90.1(3) . .
F5 P9 F4 89.1(3) . .
F6 P9 F1 179.8(3) . .
F2 P9 F1 89.0(3) . .
F5 P9 F1 90.0(3) . .
F4 P9 F1 91.2(2) . .
F6 P9 F3 91.2(3) . .
F2 P9 F3 90.2(3) . .
F5 P9 F3 90.6(3) . .
F4 P9 F3 179.6(3) . .
F1 P9 F3 88.8(3) . .
F12 P10 F10 96.8(4) . .
F11A P10 F9A 91.3(12) . .
F11A P10 F12A 82.8(13) . .
F9A P10 F12A 173.3(12) . .
F12 P10 F7 88.3(3) . .
F11A P10 F7 88.7(6) . .
F10 P10 F7 89.2(2) . .
F9A P10 F7 90.7(6) . .
F12A P10 F7 92.2(6) . .
F12 P10 F8 91.5(3) . .
F11A P10 F8 91.4(6) . .
F10 P10 F8 90.8(3) . .
F9A P10 F8 89.4(6) . .
F12A P10 F8 87.7(6) . .
F7 P10 F8 179.8(3) . .
F12 P10 F11 89.5(4) . .
F10 P10 F11 173.6(4) . .
F7 P10 F11 90.1(3) . .
F8 P10 F11 90.0(3) . .
F12 P10 F9 174.4(4) . .
F10 P10 F9 88.7(3) . .
F7 P10 F9 90.7(3) . .
F8 P10 F9 89.5(3) . .
F11 P10 F9 85.0(4) . .
F11A P10 F10A 170.6(12) . .
F9A P10 F10A 98.1(11) . .
F12A P10 F10A 87.9(12) . .
F7 P10 F10A 91.2(5) . .
F8 P10 F10A 88.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 Cl1 2.3218(16) .
W1 Cl1 2.3219(16) 2
W1 P1A 2.530(7) 2
W1 P1A 2.530(7) .
W1 P2 2.5504(12) 2
W1 P2 2.5504(12) .
W1 P1 2.561(7) 2
W1 P1 2.561(7) .
P1 C1 1.767(6) .
P1 C13 1.885(10) .
P1 C7 1.888(7) .
C1 C2 1.3900 .
C1 C6 1.3900 .
C2 C3 1.3900 .
C2 H2A 0.9500 .
C3 C4 1.3900 .
C3 H3A 0.9500 .
C4 C5 1.3900 .
C4 H4A 0.9500 .
C5 C6 1.3900 .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
C7 C8 1.3900 .
C7 C12 1.3900 .
C8 C9 1.3900 .
C8 H8A 0.9500 .
C9 C10 1.3900 .
C9 H9A 0.9500 .
C10 C11 1.3900 .
C10 H10A 0.9500 .
C11 C12 1.3900 .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.485(10) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 P2 1.839(5) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
P1A C1A 1.590(6) .
P1A C13A 1.932(10) .
P1A C7A 1.985(8) .
C1A C2A 1.3900 .
C1A C6A 1.3900 .
C2A C3A 1.3900 .
C2A H2AA 0.9500 .
C3A C4A 1.3900 .
C3A H3AA 0.9500 .
C4A C5A 1.3900 .
C4A H4AA 0.9500 .
C5A C6A 1.3900 .
C5A H5AA 0.9500 .
C6A H6AA 0.9500 .
C7A C8A 1.3900 .
C7A C12A 1.3900 .
C8A C9A 1.3900 .
C8A H8AA 0.9500 .
C9A C10A 1.3900 .
C9A H9AA 0.9500 .
C10A C11A 1.3900 .
C10A H10B 0.9500 .
C11A C12A 1.3900 .
C11A H11B 0.9500 .
C12A H12B 0.9500 .
C13A H13C 0.9900 .
C13A H13D 0.9900 .
P2 C21 1.830(5) .
P2 C15 1.832(5) .
C15 C20 1.396(7) .
C15 C16 1.407(7) .
C16 C17 1.388(7) .
C16 H16 0.9500 .
C17 C18 1.393(8) .
C17 H17 0.9500 .
C18 C19 1.374(8) .
C18 H18 0.9500 .
C19 C20 1.395(7) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.395(7) .
C21 C26 1.398(7) .
C22 C23 1.390(8) .
C22 H22 0.9500 .
C23 C24 1.384(8) .
C23 H23 0.9500 .
C24 C25 1.395(8) .
C24 H24 0.9500 .
C25 C26 1.384(7) .
C25 H25 0.9500 .
C26 H26 0.9500 .
W2 Cl2 2.3188(11) 2_667
W2 Cl2 2.3188(11) .
W2 P3 2.5434(11) .
W2 P3 2.5435(11) 2_667
W2 P4 2.5820(11) .
W2 P4 2.5820(11) 2_667
P3 C27 1.823(5) .
P3 C33 1.831(5) .
P3 C39 1.845(5) .
P4 C47 1.823(5) .
P4 C41 1.834(5) .
P4 C40 1.856(4) .
C27 C32 1.391(6) .
C27 C28 1.391(7) .
C28 C29 1.384(7) .
C28 H28 0.9500 .
C29 C30 1.393(7) .
C29 H29 0.9500 .
C30 C31 1.371(8) .
C30 H30 0.9500 .
C31 C32 1.392(7) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C38 1.384(7) .
C33 C34 1.401(7) .
C34 C35 1.383(7) .
C34 H34 0.9500 .
C35 C36 1.396(8) .
C35 H35 0.9500 .
C36 C37 1.383(8) .
C36 H36 0.9500 .
C37 C38 1.393(7) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 C40 1.514(6) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C46 1.391(7) .
C41 C42 1.400(6) .
C42 C43 1.385(7) .
C42 H42 0.9500 .
C43 C44 1.393(8) .
C43 H43 0.9500 .
C44 C45 1.374(8) .
C44 H44 0.9500 .
C45 C46 1.402(7) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C52 1.390(6) .
C47 C48 1.401(6) .
C48 C49 1.392(7) .
C48 H48 0.9500 .
C49 C50 1.386(7) .
C49 H49 0.9500 .
C50 C51 1.391(7) .
C50 H50 0.9500 .
C51 C52 1.391(7) .
C51 H51 0.9500 .
C52 H52 0.9500 .
W3 Cl3 2.3190(10) .
W3 Cl3 2.3191(10) 2_666
W3 P5 2.5356(13) .
W3 P5 2.5356(13) 2_666
W3 P6 2.5365(13) .
W3 P6 2.5366(13) 2_666
P5 C53A 1.718(4) .
P5 C59A 1.725(4) .
P5 C65 1.855(9) .
P5 C65A 1.886(9) .
P5 C53 1.933(5) .
P5 C59 1.952(5) .
P6 C73 1.752(4) .
P6 C67A 1.801(6) .
P6 C66A 1.853(9) .
P6 C67 1.861(4) .
P6 C66 1.861(9) .
P6 C73A 1.924(5) .
C53 C54 1.3900 .
C53 C58 1.3900 .
C54 C55 1.3900 .
C54 H54A 0.9500 .
C55 C56 1.3900 .
C55 H55A 0.9500 .
C56 C57 1.3900 .
C56 H56A 0.9500 .
C57 C58 1.3900 .
C57 H57A 0.9500 .
C58 H58A 0.9500 .
C59 C60 1.3900 .
C59 C64 1.3900 .
C60 C61 1.3900 .
C60 H60A 0.9500 .
C61 C62 1.3900 .
C61 H61A 0.9500 .
C62 C63 1.3900 .
C62 H62A 0.9500 .
C63 C64 1.3900 .
C63 H63A 0.9500 .
C64 H64A 0.9500 .
C65 C66 1.330(12) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 C68 1.3900 .
C67 C72 1.3900 .
C68 C69 1.3900 .
C68 H68A 0.9500 .
C69 C70 1.3900 .
C69 H69A 0.9500 .
C70 C71 1.3900 .
C70 H70A 0.9500 .
C71 C72 1.3900 .
C71 H71A 0.9500 .
C72 H72A 0.9500 .
C73 C74 1.3900 .
C73 C78 1.3900 .
C74 C75 1.3900 .
C74 H74A 0.9500 .
C75 C76 1.3900 .
C75 H75A 0.9500 .
C76 C77 1.3900 .
C76 H76A 0.9500 .
C77 C78 1.3900 .
C77 H77A 0.9500 .
C78 H78A 0.9500 .
C53A C54A 1.3900 .
C53A C58A 1.3900 .
C54A C55A 1.3900 .
C54A H54B 0.9500 .
C55A C56A 1.3900 .
C55A H55B 0.9500 .
C56A C57A 1.3900 .
C56A H56B 0.9500 .
C57A C58A 1.3900 .
C57A H57B 0.9500 .
C58A H58B 0.9500 .
C59A C60A 1.3900 .
C59A C64A 1.3900 .
C60A C61A 1.3900 .
C60A H60B 0.9500 .
C61A C62A 1.3900 .
C61A H61B 0.9500 .
C62A C63A 1.3900 .
C62A H62B 0.9500 .
C63A C64A 1.3900 .
C63A H63B 0.9500 .
C64A H64B 0.9500 .
C65A C66A 1.245(12) .
C65A H65C 0.9900 .
C65A H65D 0.9900 .
C66A H66C 0.9900 .
C66A H66D 0.9900 .
C67A C68A 1.3900 .
C67A C72A 1.3900 .
C68A C69A 1.3900 .
C68A H68B 0.9500 .
C69A C70A 1.3900 .
C69A H69B 0.9500 .
C70A C71A 1.3900 .
C70A H70B 0.9500 .
C71A C72A 1.3900 .
C71A H71B 0.9500 .
C72A H72B 0.9500 .
C73A C74A 1.3900 .
C73A C78A 1.3900 .
C74A C75A 1.3900 .
C74A H74B 0.9500 .
C75A C76A 1.3900 .
C75A H75B 0.9500 .
C76A C77A 1.3900 .
C76A H76B 0.9500 .
C77A C78A 1.3900 .
C77A H77B 0.9500 .
C78A H78B 0.9500 .
W4 Cl4 2.3232(13) 2_756
W4 Cl4 2.3233(13) .
W4 P7 2.5552(14) .
W4 P7 2.5552(14) 2_756
W4 P8 2.5592(13) .
W4 P8 2.5593(13) 2_756
P7 C85A 1.804(3) .
P7 C79 1.825(6) .
P7 C91 1.838(6) .
P7 C85 1.856(3) .
P8 C93 1.828(5) .
P8 C99 1.837(6) .
P8 C92 1.838(6) .
C79 C84 1.380(9) .
C79 C80 1.390(8) .
C80 C81 1.383(10) .
C80 H80 0.9500 .
C81 C82 1.367(11) .
C81 H81 0.9500 .
C82 C83 1.372(11) .
C82 H82 0.9500 .
C83 C84 1.396(9) .
C83 H83 0.9500 .
C84 H84 0.9500 .
C85 C86 1.3900 .
C85 C90 1.3900 .
C86 C87 1.3900 .
C86 H86A 0.9500 .
C87 C88 1.3900 .
C87 H87A 0.9500 .
C88 C89 1.3900 .
C88 H88A 0.9500 .
C89 C90 1.3900 .
C89 H89A 0.9500 .
C90 H90A 0.9500 .
C85A C86A 1.3900 .
C85A C90A 1.3900 .
C86A C87A 1.3900 .
C86A H86B 0.9500 .
C87A C88A 1.3900 .
C87A H87B 0.9500 .
C88A C89A 1.3900 .
C88A H88B 0.9500 .
C89A C90A 1.3900 .
C89A H89B 0.9500 .
C90A H90B 0.9500 .
C91 C92 1.518(8) .
C91 H91A 0.9900 .
C91 H91B 0.9900 .
C92 H92A 0.9900 .
C92 H92B 0.9900 .
C93 C94 1.362(8) .
C93 C98 1.384(9) .
C94 C95 1.396(9) .
C94 H94 0.9500 .
C95 C96 1.368(11) .
C95 H95 0.9500 .
C96 C97 1.375(10) .
C96 H96 0.9500 .
C97 C98 1.390(9) .
C97 H97 0.9500 .
C98 H98 0.9500 .
C99 C104 1.366(9) .
C99 C100 1.390(7) .
C100 C101 1.386(8) .
C100 H100 0.9500 .
C101 C102 1.352(10) .
C101 H101 0.9500 .
C102 C103 1.368(10) .
C102 H102 0.9500 .
C103 C104 1.397(9) .
C103 H103 0.9500 .
C104 H104 0.9500 .
P9 F6 1.568(4) .
P9 F2 1.576(4) .
P9 F5 1.583(4) .
P9 F4 1.583(4) .
P9 F1 1.584(4) .
P9 F3 1.584(4) .
P10 F12 1.533(5) .
P10 F11A 1.573(13) .
P10 F10 1.573(5) .
P10 F9A 1.575(13) .
P10 F12A 1.596(13) .
P10 F7 1.596(4) .
P10 F8 1.597(4) .
P10 F11 1.612(6) .
P10 F9 1.614(6) .
P10 F10A 1.646(12) .
