#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/79/1507987.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_1507987
loop_
_publ_author_name
'Shima, Takanori'
'Luo, Yi'
'Stewart, Timothy'
'Bau, Robert'
'McIntyre, Garry J.'
'Mason, Sax A.'
'Hou, Zhaomin'
_publ_section_title
;
 Molecular heterometallic hydride clusters composed of rare-earth and
 d-transition metals.
;
_journal_issue                   10
_journal_name_full               'Nature chemistry'
_journal_page_first              814
_journal_page_last               820
_journal_paper_doi               10.1038/nchem.1147
_journal_volume                  3
_journal_year                    2011
_chemical_formula_sum            'C64 H126 P Si4 W Y4'
_chemical_formula_weight         1578.46
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.1377(10)
_cell_angle_beta                 92.0563(10)
_cell_angle_gamma                118.1546(10)
_cell_formula_units_Z            2
_cell_length_a                   13.4105(12)
_cell_length_b                   14.0678(12)
_cell_length_c                   22.368(2)
_cell_measurement_reflns_used    4615
_cell_measurement_temperature    20(2)
_cell_measurement_theta_max      61.917
_cell_measurement_theta_min      3.148
_cell_volume                     3690.9(6)
_computing_cell_refinement       'ILL RAFD19'
_computing_data_collection
;
'DIRAX (Duisenberg, A.J.M.(1992). J. Appl. Cryst. 25, 92-96),
 ILL HKLGEN, MAD'
;
_computing_data_reduction
;
 'ILL RETREAT (Wilkinson, C., Khamis, H.W., Stansfield, R.F.D., 
McIntyre, G.J., J. Appl. Crystallogr. 1988, 21, 471.)'
;
_computing_molecular_graphics
;
'PLATON (A.L.Spek, Acta Cryst. 2009, D65, 148-155.)'  
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      20(2)
_diffrn_detector_area_resol_mean '1.56 mm vert. 2.5 mm hor.'
_diffrn_measured_fraction_theta_full 0.889
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_device_type
;
'D19 position-sensitive detector diffractometer' 
;
_diffrn_measurement_method       'omega step-scans'
_diffrn_radiation_monochromator  'germanium 115'
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         'ILL High Flux Reactor, beam H11'
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.24800
_diffrn_reflns_av_R_equivalents  0.1024
_diffrn_reflns_av_sigmaI/netI    0.1235
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            39243
_diffrn_reflns_theta_full        62.15
_diffrn_reflns_theta_max         62.15
_diffrn_reflns_theta_min         3.22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  '4 hours'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.315
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             23
_exptl_crystal_size_max          3.65
_exptl_crystal_size_mid          2.00
_exptl_crystal_size_min          1.25
_refine_diff_density_max         3.926
_refine_diff_density_min         -2.209
_refine_diff_density_rms         0.277
_refine_ls_extinction_coef       0.0026(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1802
_refine_ls_number_reflns         19528
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1651
_refine_ls_R_factor_gt           0.1032
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1218P)²+89.9819P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2389
_refine_ls_wR_factor_ref         0.2852
_reflns_number_gt                12222
_reflns_number_total             19528
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nchem.1147-s4.cif
_cod_data_source_block           2b_n
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1507987
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
W1 W 0.7331(3) 1.0847(3) 0.33016(17) 0.0181(7) Uani 1 1 d
Y1 Y 0.6632(2) 0.8210(2) 0.30783(11) 0.0194(4) Uani 1 1 d
Y2 Y 0.5295(2) 0.9801(2) 0.22415(11) 0.0197(4) Uani 1 1 d
Y3 Y 0.3734(2) 0.7025(2) 0.25844(11) 0.0194(4) Uani 1 1 d
Y4 Y 0.5726(2) 0.7579(2) 0.15270(11) 0.0198(4) Uani 1 1 d
P1 P 0.9023(4) 1.1752(3) 0.27378(17) 0.0218(7) Uani 1 1 d
Si1 Si 0.6954(4) 0.7276(4) 0.4782(2) 0.0227(9) Uani 1 1 d
Si2 Si 0.3137(4) 1.1177(4) 0.2499(2) 0.0226(9) Uani 1 1 d
Si3 Si 0.1746(4) 0.6625(4) 0.3899(2) 0.0221(9) Uani 1 1 d
Si4 Si 0.8007(6) 0.8484(5) 0.0254(3) 0.0443(17) Uani 1 1 d
C1 C 0.8956(3) 1.0979(3) 0.20221(14) 0.0257(6) Uani 1 1 d
H1A H 0.8229(7) 1.0860(7) 0.1731(4) 0.0447(17) Uani 1 1 d
H1B H 0.8840(8) 1.0193(7) 0.2105(4) 0.0452(17) Uani 1 1 d
H1C H 0.9720(7) 1.1398(7) 0.1804(4) 0.0453(17) Uani 1 1 d
C2 C 1.0387(3) 1.1995(3) 0.30925(15) 0.0249(6) Uani 1 1 d
H2A H 1.0549(8) 1.2447(8) 0.3538(4) 0.0476(18) Uani 1 1 d
H2B H 1.1075(7) 1.2450(7) 0.2826(4) 0.0445(17) Uani 1 1 d
H2C H 1.0336(8) 1.1215(7) 0.3130(4) 0.0471(18) Uani 1 1 d
C3 C 0.9346(3) 1.3060(3) 0.24809(15) 0.0260(6) Uani 1 1 d
H3A H 0.9551(11) 1.3684(7) 0.2848(4) 0.058(2) Uani 1 1 d
H3B H 0.8607(8) 1.2957(7) 0.2227(4) 0.0491(19) Uani 1 1 d
H3C H 1.0046(8) 1.3319(8) 0.2206(5) 0.050(2) Uani 1 1 d
C4 C 0.6837(3) 1.0756(2) 0.42575(13) 0.0212(5) Uani 1 1 d
C5 C 0.8048(3) 1.1408(2) 0.43274(13) 0.0217(5) Uani 1 1 d
C6 C 0.8338(3) 1.2380(2) 0.40729(13) 0.0212(5) Uani 1 1 d
C7 C 0.7330(3) 1.2356(2) 0.38363(13) 0.0212(5) Uani 1 1 d
C8 C 0.6384(3) 1.1356(2) 0.39487(13) 0.0214(5) Uani 1 1 d
C9 C 0.6165(3) 0.9745(3) 0.45441(14) 0.0247(6) Uani 1 1 d
H9A H 0.6588(8) 0.9270(7) 0.4558(4) 0.0476(18) Uani 1 1 d
H9B H 0.5336(7) 0.9232(7) 0.4294(4) 0.0454(17) Uani 1 1 d
H9C H 0.6014(9) 0.9942(7) 0.5001(4) 0.051(2) Uani 1 1 d
C10 C 0.8861(3) 1.1191(3) 0.46928(14) 0.0257(6) Uani 1 1 d
H10A H 0.9664(7) 1.1457(8) 0.4500(4) 0.0463(17) Uani 1 1 d
H10B H 0.8517(7) 1.0336(7) 0.4724(4) 0.0481(18) Uani 1 1 d
H10C H 0.9036(9) 1.1603(9) 0.5138(4) 0.055(2) Uani 1 1 d
C11 C 0.9495(3) 1.3360(3) 0.41454(15) 0.0254(6) Uani 1 1 d
H11A H 1.0147(7) 1.3186(7) 0.4302(4) 0.0472(18) Uani 1 1 d
H11B H 0.9484(7) 1.3960(7) 0.4481(4) 0.0485(19) Uani 1 1 d
H11C H 0.9762(8) 1.3768(7) 0.3740(4) 0.0455(17) Uani 1 1 d
C12 C 0.7273(3) 1.3320(3) 0.36277(15) 0.0249(6) Uani 1 1 d
H12A H 0.6449(8) 1.3094(7) 0.3425(5) 0.052(2) Uani 1 1 d
H12B H 0.7869(8) 1.3703(7) 0.3302(4) 0.0468(18) Uani 1 1 d
H12C H 0.7472(9) 1.3927(7) 0.4001(4) 0.050(2) Uani 1 1 d
C13 C 0.5152(3) 1.1072(3) 0.38683(15) 0.0253(6) Uani 1 1 d
H13A H 0.4609(7) 1.0202(7) 0.3833(4) 0.0450(17) Uani 1 1 d
H13B H 0.4981(8) 1.1348(8) 0.3467(4) 0.0469(18) Uani 1 1 d
H13C H 0.4923(7) 1.1437(8) 0.4252(4) 0.0474(19) Uani 1 1 d
C14 C 0.8351(3) 0.7766(3) 0.31533(14) 0.0232(6) Uani 1 1 d
C15 C 0.8326(3) 0.8184(2) 0.37486(13) 0.0220(5) Uani 1 1 d
C16 C 0.7297(3) 0.7449(2) 0.39830(13) 0.0223(5) Uani 1 1 d
C17 C 0.6715(3) 0.6550(2) 0.35199(14) 0.0226(5) Uani 1 1 d
C18 C 0.7364(3) 0.6737(2) 0.30195(14) 0.0226(5) Uani 1 1 d
C19 C 0.9359(3) 0.9160(3) 0.40685(14) 0.0247(6) Uani 1 1 d
H19A H 0.9240(7) 0.9334(6) 0.4531(4) 0.0439(17) Uani 1 1 d
H19B H 0.9585(7) 0.9887(7) 0.3851(4) 0.0473(18) Uani 1 1 d
H19C H 1.0084(7) 0.9017(7) 0.4066(5) 0.0488(19) Uani 1 1 d
C20 C 0.5656(3) 0.5498(3) 0.35532(15) 0.0265(6) Uani 1 1 d
H20A H 0.5174(7) 0.5540(7) 0.3920(4) 0.0469(18) Uani 1 1 d
H20B H 0.5858(9) 0.4856(7) 0.3608(5) 0.056(2) Uani 1 1 d
H20C H 0.5099(8) 0.5237(7) 0.3147(4) 0.0490(19) Uani 1 1 d
C21 C 0.7103(3) 0.5932(3) 0.24766(15) 0.0272(6) Uani 1 1 d
H21A H 0.7832(10) 0.5946(12) 0.2319(5) 0.074(4) Uani 1 1 d
H21B H 0.6676(13) 0.6049(12) 0.2106(5) 0.077(4) Uani 1 1 d
H21C H 0.6605(14) 0.5146(8) 0.2568(6) 0.088(5) Uani 1 1 d
C22 C 0.9311(3) 0.8285(3) 0.27650(15) 0.0267(6) Uani 1 1 d
H22A H 0.9118(9) 0.7870(9) 0.2319(4) 0.060(3) Uani 1 1 d
H22B H 1.0060(8) 0.8302(9) 0.2954(5) 0.057(2) Uani 1 1 d
H22C H 0.9533(8) 0.9125(8) 0.2720(5) 0.052(2) Uani 1 1 d
C23 C 0.7849(3) 0.8450(3) 0.53674(14) 0.0277(6) Uani 1 1 d
H23A H 0.7570(8) 0.8157(8) 0.5806(3) 0.050(2) Uani 1 1 d
H23B H 0.7725(9) 0.9144(7) 0.5347(4) 0.0493(19) Uani 1 1 d
H23C H 0.8723(8) 0.8697(8) 0.5374(4) 0.052(2) Uani 1 1 d
C24 C 0.7204(3) 0.6125(3) 0.49783(16) 0.0316(7) Uani 1 1 d
H24A H 0.8084(8) 0.6344(8) 0.4957(6) 0.059(2) Uani 1 1 d
H24B H 0.6714(10) 0.5389(8) 0.4678(5) 0.057(2) Uani 1 1 d
H24C H 0.6980(11) 0.5931(9) 0.5426(5) 0.063(3) Uani 1 1 d
C25 C 0.5437(3) 0.6900(3) 0.49032(16) 0.0287(6) Uani 1 1 d
H25A H 0.5344(9) 0.7013(10) 0.5383(5) 0.063(3) Uani 1 1 d
H25B H 0.4837(8) 0.6059(8) 0.4744(5) 0.058(2) Uani 1 1 d
H25C H 0.5154(10) 0.7389(10) 0.4687(6) 0.069(3) Uani 1 1 d
C26 C 0.4082(3) 1.0821(2) 0.20450(13) 0.0223(5) Uani 1 1 d
C27 C 0.3621(3) 0.9862(3) 0.16148(13) 0.0237(6) Uani 1 1 d
C28 C 0.4431(3) 0.9976(3) 0.12011(14) 0.0246(6) Uani 1 1 d
C29 C 0.5421(3) 1.0990(3) 0.13705(14) 0.0252(6) Uani 1 1 d
C30 C 0.5198(3) 1.1526(3) 0.18785(14) 0.0246(6) Uani 1 1 d
C31 C 0.5979(3) 1.2687(3) 0.21181(15) 0.0271(6) Uani 1 1 d
H31A H 0.5788(8) 1.2908(7) 0.2557(4) 0.051(2) Uani 1 1 d
H31B H 0.5915(10) 1.3241(7) 0.1836(5) 0.064(3) Uani 1 1 d
H31C H 0.6858(7) 1.2877(7) 0.2157(5) 0.052(2) Uani 1 1 d
C32 C 0.2435(3) 0.8918(3) 0.15457(16) 0.0292(7) Uani 1 1 d
H32A H 0.2011(7) 0.8861(8) 0.1952(4) 0.0475(18) Uani 1 1 d
H32B H 0.2435(8) 0.8149(7) 0.1445(4) 0.0479(19) Uani 1 1 d
H32C H 0.1914(8) 0.8977(9) 0.1189(4) 0.054(2) Uani 1 1 d
C33 C 0.4221(3) 0.9188(3) 0.06582(15) 0.0313(7) Uani 1 1 d
H33A H 0.4973(10) 0.9393(8) 0.0434(4) 0.057(2) Uani 1 1 d
H33B H 0.3603(11) 0.9174(10) 0.0333(4) 0.067(3) Uani 1 1 d
H33C H 0.3904(9) 0.8363(8) 0.0753(4) 0.055(2) Uani 1 1 d
C34 C 0.6491(3) 1.1453(3) 0.10565(15) 0.0293(7) Uani 1 1 d
H34A H 0.6622(10) 1.0837(9) 0.0813(5) 0.062(3) Uani 1 1 d
H34B H 0.7220(8) 1.1900(10) 0.1363(4) 0.059(3) Uani 1 1 d
H34C H 0.6497(10) 1.1998(11) 0.0746(5) 0.065(3) Uani 1 1 d
C35 C 0.3854(3) 1.2569(3) 0.29309(16) 0.0284(6) Uani 1 1 d
H35A H 0.3220(8) 1.2690(7) 0.3157(4) 0.0471(18) Uani 1 1 d
H35B H 0.4229(8) 1.3202(6) 0.2650(4) 0.0439(17) Uani 1 1 d
H35C H 0.4491(8) 1.2678(7) 0.3281(4) 0.0492(19) Uani 1 1 d
C36 C 0.2028(3) 1.1143(3) 0.19462(17) 0.0341(8) Uani 1 1 d
H36A H 0.1462(10) 1.1363(11) 0.2165(5) 0.067(3) Uani 1 1 d
H36B H 0.1528(9) 1.0359(9) 0.1697(5) 0.060(3) Uani 1 1 d
H36C H 0.2418(11) 1.1713(11) 0.1632(5) 0.068(3) Uani 1 1 d
C37 C 0.2401(3) 1.0210(3) 0.30631(16) 0.0291(7) Uani 1 1 d
H37A H 0.1731(8) 1.0331(8) 0.3235(4) 0.0499(19) Uani 1 1 d
H37B H 0.2977(8) 1.0334(9) 0.3444(4) 0.052(2) Uani 1 1 d
H37C H 0.2041(10) 0.9363(7) 0.2870(5) 0.058(2) Uani 1 1 d
C38 C 0.1892(3) 0.5988(2) 0.31624(13) 0.0212(5) Uani 1 1 d
C39 C 0.2320(3) 0.5237(2) 0.30382(13) 0.0219(5) Uani 1 1 d
C40 C 0.2198(3) 0.4947(2) 0.24053(13) 0.0217(5) Uani 1 1 d
C41 C 0.1675(3) 0.5489(2) 0.21305(13) 0.0210(5) Uani 1 1 d
C42 C 0.1478(3) 0.6125(3) 0.25904(14) 0.0227(5) Uani 1 1 d
C43 C 0.0832(3) 0.6731(3) 0.24938(15) 0.0272(6) Uani 1 1 d
H43A H 0.1165(8) 0.7489(7) 0.2787(4) 0.0461(18) Uani 1 1 d
H43B H -0.0051(7) 0.6259(8) 0.2582(5) 0.050(2) Uani 1 1 d
H43C H 0.0849(9) 0.6935(9) 0.2036(4) 0.053(2) Uani 1 1 d
C44 C 0.2752(3) 0.4773(3) 0.34986(13) 0.0238(6) Uani 1 1 d
H44A H 0.3109(8) 0.4295(7) 0.3297(4) 0.0442(17) Uani 1 1 d
H44B H 0.2068(7) 0.4264(7) 0.3754(4) 0.0448(17) Uani 1 1 d
H44C H 0.3399(8) 0.5402(7) 0.3822(4) 0.0444(17) Uani 1 1 d
C45 C 0.2485(3) 0.4136(3) 0.20713(14) 0.0254(6) Uani 1 1 d
H45A H 0.2910(9) 0.4433(8) 0.1668(4) 0.054(2) Uani 1 1 d
H45B H 0.1753(9) 0.3378(7) 0.1931(5) 0.058(2) Uani 1 1 d
H45C H 0.3042(10) 0.3960(9) 0.2337(4) 0.059(3) Uani 1 1 d
C46 C 0.1277(3) 0.5315(3) 0.14745(15) 0.0273(6) Uani 1 1 d
H46A H 0.1393(11) 0.6052(8) 0.1307(4) 0.063(3) Uani 1 1 d
H46B H 0.0377(8) 0.4744(11) 0.1392(4) 0.067(3) Uani 1 1 d
H46C H 0.1716(10) 0.5015(11) 0.1209(4) 0.063(3) Uani 1 1 d
C47 C 0.0232(3) 0.6342(3) 0.39544(16) 0.0275(6) Uani 1 1 d
H47A H 0.0084(8) 0.6496(9) 0.4415(4) 0.053(2) Uani 1 1 d
H47B H -0.0365(8) 0.5506(8) 0.3784(6) 0.061(3) Uani 1 1 d
H47C H 0.0021(9) 0.6846(8) 0.3703(5) 0.055(2) Uani 1 1 d
C48 C 0.2696(3) 0.8131(3) 0.39855(16) 0.0294(7) Uani 1 1 d
H48A H 0.3574(8) 0.8302(8) 0.3970(5) 0.055(2) Uani 1 1 d
H48B H 0.2626(10) 0.8493(8) 0.4410(5) 0.062(3) Uani 1 1 d
H48C H 0.2520(10) 0.8517(7) 0.3635(5) 0.061(3) Uani 1 1 d
C49 C 0.2161(3) 0.6130(3) 0.45696(14) 0.0279(6) Uani 1 1 d
H49A H 0.3031(8) 0.6301(8) 0.4591(4) 0.0490(19) Uani 1 1 d
H49B H 0.1642(8) 0.5275(8) 0.4593(4) 0.0504(19) Uani 1 1 d
H49C H 0.2074(9) 0.6563(9) 0.4969(4) 0.051(2) Uani 1 1 d
C50 C 0.6701(3) 0.7429(3) 0.05325(15) 0.0288(7) Uani 1 1 d
C51 C 0.5545(3) 0.7108(3) 0.03312(14) 0.0288(7) Uani 1 1 d
C52 C 0.4837(3) 0.6116(3) 0.05514(14) 0.0256(6) Uani 1 1 d
C53 C 0.5538(3) 0.5794(3) 0.08734(13) 0.0230(6) Uani 1 1 d
C54 C 0.6680(3) 0.6591(3) 0.08580(14) 0.0249(6) Uani 1 1 d
C55 C 0.7712(3) 0.6494(3) 0.10545(16) 0.0316(7) Uani 1 1 d
H55A H 0.8226(8) 0.6551(10) 0.0678(4) 0.057(2) Uani 1 1 d
H55B H 0.7478(9) 0.5714(8) 0.1205(4) 0.052(2) Uani 1 1 d
H55C H 0.8259(8) 0.7109(8) 0.1407(4) 0.056(2) Uani 1 1 d
C56 C 0.5169(5) 0.7642(4) -0.01107(16) 0.0440(11) Uani 1 1 d
H56A H 0.5586(14) 0.8498(11) -0.0031(5) 0.074(3) Uani 1 1 d
H56B H 0.4261(12) 0.7381(11) -0.0105(5) 0.072(3) Uani 1 1 d
H56C H 0.5320(17) 0.7433(13) -0.0564(4) 0.095(6) Uani 1 1 d
C57 C 0.3577(3) 0.5444(4) 0.04005(17) 0.0365(8) Uani 1 1 d
H57A H 0.3165(8) 0.4947(11) 0.0736(5) 0.064(3) Uani 1 1 d
H57B H 0.3402(9) 0.4921(12) -0.0005(5) 0.082(4) Uani 1 1 d
H57C H 0.3166(9) 0.5931(11) 0.0354(6) 0.071(3) Uani 1 1 d
C58 C 0.5107(3) 0.4721(3) 0.11192(15) 0.0296(7) Uani 1 1 d
H58A H 0.5767(10) 0.4518(9) 0.1198(6) 0.061(2) Uani 1 1 d
H58B H 0.4468(9) 0.4078(8) 0.0806(5) 0.060(2) Uani 1 1 d
H58C H 0.4746(10) 0.4704(8) 0.1544(4) 0.059(2) Uani 1 1 d
C59 C 0.9273(5) 0.9062(5) 0.0834(3) 0.073(2) Uani 1 1 d
H59A H 0.9045(12) 0.9183(14) 0.1285(7) 0.105(6) Uani 1 1 d
H59B H 0.9928(14) 0.9803(12) 0.0725(10) 0.121(8) Uani 1 1 d
H59C H 0.9643(10) 0.8523(13) 0.0878(7) 0.079(4) Uani 1 1 d
C60 C 0.8323(4) 0.7817(3) -0.0429(2) 0.0407(9) Uani 1 1 d
H60A H 0.7622(12) 0.7508(12) -0.0775(5) 0.069(3) Uani 1 1 d
H60B H 0.8434(10) 0.7149(8) -0.0326(5) 0.058(2) Uani 1 1 d
H60C H 0.9062(12) 0.8365(10) -0.0630(6) 0.078(4) Uani 1 1 d
C61 C 0.7918(7) 0.9694(5) 0.0059(4) 0.072(2) Uani 1 1 d
H61A H 0.7545(15) 0.9998(12) 0.0379(9) 0.108(6) Uani 1 1 d
H61B H 0.735(3) 0.952(3) -0.0397(11) 0.173(15) Uani 1 1 d
H61C H 0.8732(16) 1.0329(12) -0.0022(12) 0.124(9) Uani 1 1 d
H1 H 0.5408(6) 0.8305(6) 0.2387(3) 0.0345(13) Uani 1 1 d
H2 H 0.7126(6) 1.0020(6) 0.2616(3) 0.0358(14) Uani 1 1 d
H3 H 0.6009(6) 0.9667(6) 0.3231(3) 0.0352(13) Uani 1 1 d
H4 H 0.7946(7) 0.9994(6) 0.3414(4) 0.0401(15) Uani 1 1 d
H5 H 0.6764(6) 1.1305(6) 0.2732(3) 0.0348(13) Uani 1 1 d
H6 H 0.7160(7) 0.8186(7) 0.2179(4) 0.0425(16) Uani 1 1 d
H7 H 0.4924(7) 0.7490(7) 0.3367(3) 0.0410(15) Uani 1 1 d
H8 H 0.5983(7) 0.9205(6) 0.1516(3) 0.0392(15) Uani 1 1 d
H9 H 0.3806(7) 0.8601(6) 0.2607(3) 0.0372(14) Uani 1 1 d
H10 H 0.5163(7) 0.6680(6) 0.2346(3) 0.0385(14) Uani 1 1 d
H11 H 0.3971(7) 0.7154(8) 0.1635(4) 0.0448(18) Uani 1 1 d
C71 C 0.9062(9) 1.2605(12) 0.0106(7) 0.155(7) Uani 1 1 d
H71A H 0.9325(16) 1.2389(16) -0.0306(9) 0.118(7) Uani 1 1 d
H71B H 0.840(2) 1.1944(15) 0.0340(10) 0.112(7) Uani 1 1 d
H71C H 0.9768(17) 1.2754(17) 0.0526(14) 0.139(9) Uani 1 1 d
C72 C -0.1121(6) 0.3579(5) 0.0130(3) 0.0569(15) Uani 1 1 d
H72A H -0.1281(10) 0.3726(12) 0.0587(6) 0.080(4) Uani 1 1 d
H72B H -0.1704(16) 0.3454(13) -0.0106(10) 0.089(5) Uani 1 1 d
C73 C 0.0002(6) 0.4513(6) -0.0025(3) 0.081(3) Uani 1 1 d
H73A H 0.0756(13) 0.4571(16) 0.0243(7) 0.111(7) Uani 1 1 d
H73B H 0.0164(15) 0.437(3) -0.0492(8) 0.164(13) Uani 1 1 d
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000 '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'
Si Si 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W 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
C8 W1 C4 37.72(12) .
C8 W1 C7 36.36(12) .
C4 W1 C7 60.72(14) .
C8 W1 C5 60.48(14) .
C4 W1 C5 36.00(12) .
C7 W1 C5 58.57(13) .
C8 W1 C6 59.21(14) .
C4 W1 C6 58.98(14) .
C7 W1 C6 34.57(12) .
C5 W1 C6 34.29(11) .
C8 W1 P1 137.0(2) .
C4 W1 P1 140.1(2) .
C7 W1 P1 100.66(19) .
C5 W1 P1 104.24(19) .
C6 W1 P1 85.38(17) .
C8 W1 Y2 94.79(16) .
C4 W1 Y2 116.92(18) .
C7 W1 Y2 109.37(16) .
C5 W1 Y2 152.56(19) .
C6 W1 Y2 143.49(17) .
P1 W1 Y2 102.24(16) .
C8 W1 Y1 118.25(18) .
C4 W1 Y1 93.22(15) .
C7 W1 Y1 153.09(19) .
C5 W1 Y1 104.94(15) .
C6 W1 Y1 138.21(17) .
P1 W1 Y1 104.29(15) .
Y2 W1 Y1 75.02(10) .
C8 W1 H2 141.8(3) .
C4 W1 H2 141.8(3) .
C7 W1 H2 150.4(3) .
C5 W1 H2 150.5(3) .
C6 W1 H2 156.7(3) .
P1 W1 H2 71.4(3) .
Y2 W1 H2 48.3(3) .
Y1 W1 H2 51.1(3) .
C8 W1 H3 79.0(3) .
C4 W1 H3 77.3(3) .
C7 W1 H3 113.7(3) .
C5 W1 H3 110.6(3) .
C6 W1 H3 134.5(3) .
P1 W1 H3 140.1(3) .
Y2 W1 H3 48.4(3) .
Y1 W1 H3 48.5(3) .
H2 W1 H3 68.7(4) .
C8 W1 H4 127.6(4) .
C4 W1 H4 90.1(3) .
C7 W1 H4 136.7(3) .
C5 W1 H4 78.8(3) .
C6 W1 H4 104.0(3) .
P1 W1 H4 81.2(3) .
Y2 W1 H4 112.5(3) .
Y1 W1 H4 40.7(3) .
H2 W1 H4 71.6(4) .
H3 W1 H4 86.8(4) .
C8 W1 H5 87.1(3) .
C4 W1 H5 124.3(3) .
C7 W1 H5 78.8(3) .
C5 W1 H5 137.3(3) .
C6 W1 H5 106.4(3) .
P1 W1 H5 80.1(3) .
Y2 W1 H5 42.3(3) .
Y1 W1 H5 115.2(3) .
H2 W1 H5 71.8(4) .
H3 W1 H5 87.1(4) .
H4 W1 H5 142.6(4) .
H3 Y1 H2 45.0(2) .
H3 Y1 C17 146.2(2) .
H2 Y1 C17 164.7(2) .
H3 Y1 C14 146.3(2) .
H2 Y1 C14 113.8(2) .
C17 Y1 C14 50.99(11) .
H3 Y1 C18 174.9(2) .
H2 Y1 C18 137.0(2) .
C17 Y1 C18 30.61(10) .
C14 Y1 C18 30.92(10) .
H3 Y1 C16 123.9(2) .
H2 Y1 C16 141.74(19) .
C17 Y1 C16 31.11(9) .
C14 Y1 C16 51.45(11) .
C18 Y1 C16 51.23(10) .
H3 Y1 C15 124.85(19) .
H2 Y1 C15 116.4(2) .
C17 Y1 C15 50.57(11) .
C14 Y1 C15 30.62(9) .
C18 Y1 C15 50.49(10) .
C16 Y1 C15 30.90(10) .
H3 Y1 W1 30.96(17) .
H2 Y1 W1 31.56(15) .
C17 Y1 W1 146.97(13) .
C14 Y1 W1 115.97(13) .
C18 Y1 W1 146.89(14) .
C16 Y1 W1 115.86(12) .
C15 Y1 W1 101.55(12) .
H3 Y1 Y3 71.69(17) .
H2 Y1 Y3 93.15(18) .
C17 Y1 Y3 100.87(11) .
C14 Y1 Y3 141.86(12) .
C18 Y1 Y3 111.50(11) .
C16 Y1 Y3 119.65(12) .
C15 Y1 Y3 149.84(12) .
W1 Y1 Y3 101.21(10) .
H3 Y1 Y4 93.73(18) .
H2 Y1 Y4 71.07(16) .
C17 Y1 Y4 111.05(11) .
C14 Y1 Y4 102.99(10) .
C18 Y1 Y4 91.29(10) .
C16 Y1 Y4 141.16(11) .
C15 Y1 Y4 133.55(11) .
W1 Y1 Y4 101.28(10) .
Y3 Y1 Y4 59.36(7) .
H3 Y1 Y2 35.71(17) .
H2 Y1 Y2 36.06(17) .
C17 Y1 Y2 158.03(12) .
C14 Y1 Y2 145.52(12) .
C18 Y1 Y2 149.28(11) .
C16 Y1 Y2 159.02(11) .
C15 Y1 Y2 151.23(12) .
W1 Y1 Y2 50.97(8) .
Y3 Y1 Y2 57.26(7) .
Y4 Y1 Y2 58.08(6) .
H3 Y1 H1 58.8(2) .
H2 Y1 H1 58.5(3) .
C17 Y1 H1 132.8(2) .
C14 Y1 H1 141.1(2) .
C18 Y1 H1 126.2(2) .
C16 Y1 H1 157.3(2) .
C15 Y1 H1 170.2(2) .
W1 Y1 H1 78.0(2) .
Y3 Y1 H1 37.69(19) .
Y4 Y1 H1 38.43(17) .
Y2 Y1 H1 27.00(18) .
H3 Y1 H2 45.0(2) .
H2 Y1 H2 0.0(4) .
C17 Y1 H2 164.7(2) .
C14 Y1 H2 113.8(2) .
C18 Y1 H2 137.0(2) .
C16 Y1 H2 141.7(2) .
C15 Y1 H2 116.4(2) .
W1 Y1 H2 31.56(15) .
Y3 Y1 H2 93.15(18) .
Y4 Y1 H2 71.07(16) .
Y2 Y1 H2 36.06(17) .
H1 Y1 H2 58.5(3) .
H3 Y1 H3 0.0(4) .
H2 Y1 H3 45.0(2) .
C17 Y1 H3 146.2(2) .
C14 Y1 H3 146.3(2) .
C18 Y1 H3 174.9(2) .
C16 Y1 H3 123.9(2) .
C15 Y1 H3 124.85(19) .
W1 Y1 H3 30.96(17) .
Y3 Y1 H3 71.69(17) .
Y4 Y1 H3 93.73(18) .
Y2 Y1 H3 35.71(17) .
H1 Y1 H3 58.8(2) .
H2 Y1 H3 45.0(2) .
H3 Y1 H4 59.5(2) .
H2 Y1 H4 49.1(2) .
C17 Y1 H4 121.7(2) .
C14 Y1 H4 86.8(2) .
C18 Y1 H4 117.5(2) .
C16 Y1 H4 92.7(2) .
C15 Y1 H4 72.4(2) .
W1 Y1 H4 30.01(19) .
Y3 Y1 H4 131.0(2) .
Y4 Y1 H4 117.0(2) .
Y2 Y1 H4 79.12(19) .
H1 Y1 H4 105.5(3) .
H2 Y1 H4 49.1(2) .
H3 Y1 H4 59.5(2) .
H3 Y1 H6 108.4(3) .
H2 Y1 H6 67.7(3) .
C17 Y1 H6 104.9(2) .
C14 Y1 H6 73.7(2) .
C18 Y1 H6 75.6(2) .
C16 Y1 H6 123.6(2) .
C15 Y1 H6 102.2(2) .
W1 Y1 H6 97.7(2) .
Y3 Y1 H6 94.0(2) .
Y4 Y1 H6 34.7(2) .
Y2 Y1 H6 76.9(2) .
H1 Y1 H6 68.3(3) .
H2 Y1 H6 67.7(3) .
H3 Y1 H6 108.4(3) .
H4 Y1 H6 96.8(3) .
H3 Y1 H7 70.7(3) .
H2 Y1 H7 110.9(3) .
C17 Y1 H7 84.2(3) .
C14 Y1 H7 135.2(3) .
C18 Y1 H7 109.4(3) .
C16 Y1 H7 89.9(2) .
C15 Y1 H7 120.2(2) .
W1 Y1 H7 100.1(2) .
Y3 Y1 H7 35.6(2) .
Y4 Y1 H7 94.6(2) .
Y2 Y1 H7 78.2(2) .
H1 Y1 H7 69.3(3) .
H2 Y1 H7 110.9(3) .
H3 Y1 H7 70.7(3) .
H4 Y1 H7 121.0(3) .
H6 Y1 H7 128.9(3) .
H3 Y1 H10 107.4(2) .
H2 Y1 H10 106.8(2) .
C17 Y1 H10 80.92(19) .
C14 Y1 H10 104.0(2) .
C18 Y1 H10 76.84(19) .
C16 Y1 H10 111.1(2) .
C15 Y1 H10 126.7(2) .
W1 Y1 H10 130.8(2) .
Y3 Y1 H10 39.80(18) .
Y4 Y1 H10 39.85(17) .
Y2 Y1 H10 79.88(18) .
H1 Y1 H10 52.9(2) .
H2 Y1 H10 106.8(2) .
H3 Y1 H10 107.4(2) .
H4 Y1 H10 155.7(3) .
H6 Y1 H10 66.5(3) .
H7 Y1 H10 65.7(3) .
C29 Y2 C27 51.56(12) .
C29 Y2 C28 31.22(11) .
C27 Y2 C28 30.99(10) .
C29 Y2 C26 51.91(11) .
C27 Y2 C26 31.35(9) .
C28 Y2 C26 51.70(10) .
C29 Y2 C30 31.05(9) .
C27 Y2 C30 51.16(11) .
C28 Y2 C30 51.13(11) .
C26 Y2 C30 31.12(10) .
C29 Y2 W1 117.27(14) .
C27 Y2 W1 150.19(13) .
C28 Y2 W1 148.39(14) .
C26 Y2 W1 118.84(12) .
C30 Y2 W1 103.80(13) .
C29 Y2 Y3 140.30(12) .
C27 Y2 Y3 97.81(11) .
C28 Y2 Y3 109.39(11) .
C26 Y2 Y3 116.67(12) .
C30 Y2 Y3 147.13(13) .
W1 Y2 Y3 101.49(10) .
C29 Y2 Y4 104.80(10) .
C27 Y2 Y4 108.82(10) .
C28 Y2 Y4 90.75(10) .
C26 Y2 Y4 139.75(11) .
C30 Y2 Y4 135.85(11) .
W1 Y2 Y4 100.73(10) .
Y3 Y2 Y4 57.00(7) .
C29 Y2 Y1 147.22(12) .
C27 Y2 Y1 151.94(12) .
C28 Y2 Y1 145.20(11) .
C26 Y2 Y1 160.11(11) .
C30 Y2 Y1 156.85(12) .
W1 Y2 Y1 54.01(8) .
Y3 Y2 Y1 54.58(6) .
Y4 Y2 Y1 54.45(6) .
C29 Y2 H1 139.7(2) .
C27 Y2 H1 125.7(2) .
C28 Y2 H1 121.0(2) .
C26 Y2 H1 151.2(2) .
C30 Y2 H1 170.7(2) .
W1 Y2 H1 81.6(2) .
Y3 Y2 H1 34.98(19) .
Y4 Y2 H1 34.86(18) .
Y1 Y2 H1 27.6(2) .
C29 Y2 H2 113.6(2) .
C27 Y2 H2 164.9(2) .
C28 Y2 H2 135.0(2) .
C26 Y2 H2 145.3(2) .
C30 Y2 H2 118.6(2) .
W1 Y2 H2 32.90(17) .
Y3 Y2 H2 93.9(2) .
Y4 Y2 H2 70.03(17) .
Y1 Y2 H2 39.54(19) .
H1 Y2 H2 62.3(3) .
C29 Y2 H3 149.0(2) .
C27 Y2 H3 145.7(2) .
C28 Y2 H3 176.5(2) .
C26 Y2 H3 125.0(2) .
C30 Y2 H3 127.0(2) .
W1 Y2 H3 32.56(18) .
Y3 Y2 H3 70.63(18) .
Y4 Y2 H3 92.11(19) .
Y1 Y2 H3 37.71(18) .
H1 Y2 H3 61.2(3) .
H2 Y2 H3 48.2(2) .
C29 Y2 H5 86.7(2) .
C27 Y2 H5 122.3(2) .
C28 Y2 H5 117.7(2) .
C26 Y2 H5 93.1(2) .
C30 Y2 H5 72.3(2) .
W1 Y2 H5 32.10(19) .
Y3 Y2 H5 132.9(2) .
Y4 Y2 H5 120.5(2) .
Y1 Y2 H5 84.86(19) .
H1 Y2 H5 111.9(3) .
H2 Y2 H5 52.5(2) .
H3 Y2 H5 62.4(3) .
C29 Y2 H8 75.7(2) .
C27 Y2 H8 99.7(2) .
C28 Y2 H8 71.8(2) .
C26 Y2 H8 122.7(2) .
C30 Y2 H8 106.2(2) .
W1 Y2 H8 103.5(2) .
Y3 Y2 H8 87.7(2) .
Y4 Y2 H8 31.6(2) .
Y1 Y2 H8 76.5(2) .
H1 Y2 H8 64.9(3) .
H2 Y2 H8 71.2(3) .
H3 Y2 H8 111.6(3) .
H5 Y2 H8 106.6(3) .
C29 Y2 H9 129.1(2) .
C27 Y2 H9 77.6(2) .
C28 Y2 H9 102.1(2) .
C26 Y2 H9 86.3(2) .
C30 Y2 H9 117.4(2) .
W1 Y2 H9 107.5(2) .
Y3 Y2 H9 33.24(19) .
Y4 Y2 H9 88.7(2) .
Y1 Y2 H9 79.5(2) .
H1 Y2 H9 67.2(3) .
H2 Y2 H9 117.1(3) .
H3 Y2 H9 76.0(3) .
H5 Y2 H9 128.3(3) .
H8 Y2 H9 116.8(3) .
C40 Y3 C39 31.06(9) .
C40 Y3 C38 51.73(10) .
C39 Y3 C38 31.32(9) .
C40 Y3 C41 30.97(10) .
C39 Y3 C41 51.24(10) .
C38 Y3 C41 51.63(10) .
C40 Y3 C42 51.12(10) .
C39 Y3 C42 51.28(11) .
C38 Y3 C42 31.35(10) .
C41 Y3 C42 30.77(9) .
C40 Y3 Y4 109.78(10) .
C39 Y3 Y4 133.93(11) .
C38 Y3 Y4 161.30(12) .
C41 Y3 Y4 111.77(10) .
C42 Y3 Y4 137.92(11) .
C40 Y3 Y1 129.04(11) .
C39 Y3 Y1 117.49(11) .
C38 Y3 Y1 130.90(11) .
C41 Y3 Y1 158.39(11) .
C42 Y3 Y1 161.51(12) .
Y4 Y3 Y1 60.49(7) .
C40 Y3 Y2 156.88(12) .
C39 Y3 Y2 163.83(11) .
C38 Y3 Y2 133.03(11) .
C41 Y3 Y2 128.43(11) .
C42 Y3 Y2 118.55(11) .
Y4 Y3 Y2 62.24(7) .
Y1 Y3 Y2 68.16(7) .
C40 Y3 H1 147.3(2) .
C39 Y3 H1 155.5(2) .
C38 Y3 H1 159.8(2) .
C41 Y3 H1 146.2(2) .
C42 Y3 H1 153.1(2) .
Y4 Y3 H1 38.87(18) .
Y1 Y3 H1 39.0(2) .
Y2 Y3 H1 35.39(18) .
C40 Y3 H7 115.2(3) .
C39 Y3 H7 90.2(2) .
C38 Y3 H7 95.4(2) .
C41 Y3 H7 141.4(3) .
C42 Y3 H7 125.6(2) .
Y4 Y3 H7 96.1(2) .
Y1 Y3 H7 35.9(2) .
Y2 Y3 H7 87.7(2) .
H1 Y3 H7 70.8(3) .
C40 Y3 H9 138.7(2) .
C39 Y3 H9 131.3(2) .
C38 Y3 H9 100.0(2) .
C41 Y3 H9 109.2(2) .
C42 Y3 H9 88.7(2) .
Y4 Y3 H9 93.7(2) .
Y1 Y3 H9 91.9(2) .
Y2 Y3 H9 33.1(2) .
H1 Y3 H9 67.5(3) .
H7 Y3 H9 94.5(3) .
C40 Y3 H10 93.0(2) .
C39 Y3 H10 102.5(2) .
C38 Y3 H10 133.2(2) .
C41 Y3 H10 114.7(2) .
C42 Y3 H10 143.6(2) .
Y4 Y3 H10 39.71(19) .
Y1 Y3 H10 45.5(2) .
Y2 Y3 H10 92.0(2) .
H1 Y3 H10 57.4(3) .
H7 Y3 H10 70.8(3) .
H9 Y3 H10 124.8(3) .
C40 Y3 H11 94.2(3) .
C39 Y3 H11 125.3(3) .
C38 Y3 H11 132.1(2) .
C41 Y3 H11 81.5(2) .
C42 Y3 H11 102.4(2) .
Y4 Y3 H11 36.4(2) .
Y1 Y3 H11 96.1(2) .
Y2 Y3 H11 66.3(3) .
H1 Y3 H11 64.8(3) .
H7 Y3 H11 132.0(3) .
H9 Y3 H11 85.0(3) .
H10 Y3 H11 70.6(3) .
C50 Y4 C52 51.31(12) .
C50 Y4 C51 31.23(12) .
C52 Y4 C51 30.69(11) .
C50 Y4 C53 51.07(11) .
C52 Y4 C53 30.77(10) .
C51 Y4 C53 50.73(11) .
C50 Y4 C54 30.96(11) .
C52 Y4 C54 50.67(11) .
C51 Y4 C54 50.83(11) .
C53 Y4 C54 30.43(10) .
C50 Y4 Y3 161.64(13) .
C52 Y4 Y3 110.33(12) .
C51 Y4 Y3 133.15(13) .
C53 Y4 Y3 113.73(11) .
C54 Y4 Y3 140.22(12) .
C50 Y4 Y1 134.38(13) .
C52 Y4 Y1 149.60(13) .
C51 Y4 Y1 165.43(13) .
C53 Y4 Y1 122.33(11) .
C54 Y4 Y1 115.93(11) .
Y3 Y4 Y1 60.15(7) .
C50 Y4 Y2 131.00(12) .
C52 Y4 Y2 136.43(12) .
C51 Y4 Y2 122.15(11) .
C53 Y4 Y2 166.12(12) .
C54 Y4 Y2 158.68(13) .
Y3 Y4 Y2 60.76(7) .
Y1 Y4 Y2 67.47(7) .
C50 Y4 H1 159.8(2) .
C52 Y4 H1 147.1(2) .
C51 Y4 H1 154.2(2) .
C53 Y4 H1 147.5(2) .
C54 Y4 H1 154.9(2) .
Y3 Y4 H1 38.1(2) .
Y1 Y4 H1 39.00(19) .
Y2 Y4 H1 34.60(19) .
C50 Y4 H6 99.7(3) .
C52 Y4 H6 137.9(2) .
C51 Y4 H6 130.9(3) .
C53 Y4 H6 108.5(2) .
C54 Y4 H6 88.3(2) .
Y3 Y4 H6 95.2(2) .
Y1 Y4 H6 35.1(2) .
Y2 Y4 H6 85.1(2) .
H1 Y4 H6 69.2(3) .
C50 Y4 H8 98.8(2) .
C52 Y4 H8 121.3(2) .
C51 Y4 H8 95.9(2) .
C53 Y4 H8 146.3(2) .
C54 Y4 H8 127.6(2) .
Y3 Y4 H8 92.1(2) .
Y1 Y4 H8 88.8(2) .
Y2 Y4 H8 32.3(2) .
H1 Y4 H8 65.2(3) .
H6 Y4 H8 89.3(3) .
C50 Y4 H10 137.5(2) .
C52 Y4 H10 107.6(2) .
C51 Y4 H10 138.1(2) .
C53 Y4 H10 91.2(2) .
C54 Y4 H10 106.6(2) .
Y3 Y4 H10 39.5(2) .
Y1 Y4 H10 45.3(2) .
Y2 Y4 H10 90.5(2) .
H1 Y4 H10 56.7(3) .
H6 Y4 H10 71.6(3) .
H8 Y4 H10 122.0(3) .
C50 Y4 H11 129.5(2) .
C52 Y4 H11 83.6(3) .
C51 Y4 H11 98.3(2) .
C53 Y4 H11 102.5(3) .
C54 Y4 H11 132.1(3) .
Y3 Y4 H11 36.5(2) .
Y1 Y4 H11 95.8(2) .
Y2 Y4 H11 65.2(3) .
H1 Y4 H11 64.2(3) .
H6 Y4 H11 130.8(3) .
H8 Y4 H11 85.1(4) .
H10 Y4 H11 70.4(3) .
C1 P1 C3 100.1(2) .
C1 P1 C2 100.6(2) .
C3 P1 C2 103.5(3) .
C1 P1 W1 113.9(2) .
C3 P1 W1 118.4(2) .
C2 P1 W1 117.4(2) .
C16 Si1 C25 113.9(3) .
C16 Si1 C23 117.0(3) .
C25 Si1 C23 105.9(3) .
C16 Si1 C24 105.9(3) .
C25 Si1 C24 107.9(3) .
C23 Si1 C24 105.6(3) .
C26 Si2 C35 114.9(3) .
C26 Si2 C36 106.3(3) .
C35 Si2 C36 106.6(3) .
C26 Si2 C37 114.0(3) .
C35 Si2 C37 106.1(3) .
C36 Si2 C37 108.6(3) .
C38 Si3 C48 110.4(3) .
C38 Si3 C49 113.5(3) .
C48 Si3 C49 105.8(3) .
C38 Si3 C47 110.5(3) .
C48 Si3 C47 109.0(3) .
C49 Si3 C47 107.4(3) .
C50 Si4 C61 114.9(4) .
C50 Si4 C60 107.2(4) .
C61 Si4 C60 109.7(5) .
C50 Si4 C59 112.5(5) .
C61 Si4 C59 103.8(5) .
C60 Si4 C59 108.7(4) .
P1 C1 H1A 109.3(5) .
P1 C1 H1B 109.2(5) .
H1A C1 H1B 108.0(7) .
P1 C1 H1C 110.7(5) .
H1A C1 H1C 109.8(7) .
H1B C1 H1C 109.8(8) .
P1 C2 H2A 109.8(5) .
P1 C2 H2B 111.4(5) .
H2A C2 H2B 108.8(8) .
P1 C2 H2C 107.6(5) .
H2A C2 H2C 110.0(8) .
H2B C2 H2C 109.2(8) .
P1 C3 H3A 112.4(6) .
P1 C3 H3B 107.7(6) .
H3A C3 H3B 107.7(9) .
P1 C3 H3C 110.6(5) .
H3A C3 H3C 108.4(9) .
H3B C3 H3C 110.0(8) .
C5 C4 C8 107.2(3) .
C5 C4 C9 125.7(3) .
C8 C4 C9 126.3(3) .
C5 C4 W1 76.3(2) .
C8 C4 W1 70.53(19) .
C9 C4 W1 126.6(2) .
C6 C5 C4 108.3(3) .
C6 C5 C10 124.9(3) .
C4 C5 C10 126.1(3) .
C6 C5 W1 74.9(2) .
C4 C5 W1 67.75(19) .
C10 C5 W1 130.5(2) .
C5 C6 C7 109.0(3) .
C5 C6 C11 125.1(3) .
C7 C6 C11 125.0(3) .
C5 C6 W1 70.81(19) .
C7 C6 W1 69.58(19) .
C11 C6 W1 134.3(2) .
C6 C7 C8 108.2(3) .
C6 C7 C12 124.4(3) .
C8 C7 C12 126.2(3) .
C6 C7 W1 75.85(19) .
C8 C7 W1 68.02(19) .
C12 C7 W1 131.6(2) .
C7 C8 C4 107.3(3) .
C7 C8 C13 126.1(3) .
C4 C8 C13 125.7(3) .
C7 C8 W1 75.6(2) .
C4 C8 W1 71.76(19) .
C13 C8 W1 126.6(2) .
C4 C9 H9A 111.6(5) .
C4 C9 H9B 111.3(5) .
H9A C9 H9B 107.1(8) .
C4 C9 H9C 110.8(5) .
H9A C9 H9C 108.6(8) .
H9B C9 H9C 107.2(8) .
C5 C10 H10A 112.3(5) .
C5 C10 H10B 110.8(5) .
H10A C10 H10B 107.3(8) .
C5 C10 H10C 110.8(5) .
H10A C10 H10C 107.4(9) .
H10B C10 H10C 108.2(9) .
C6 C11 H11A 112.8(5) .
C6 C11 H11B 108.2(5) .
H11A C11 H11B 107.1(8) .
C6 C11 H11C 115.1(5) .
H11A C11 H11C 107.5(8) .
H11B C11 H11C 105.6(8) .
C7 C12 H12A 111.2(5) .
C7 C12 H12B 113.1(5) .
H12A C12 H12B 107.2(8) .
C7 C12 H12C 109.9(5) .
H12A C12 H12C 108.6(8) .
H12B C12 H12C 106.6(8) .
C8 C13 H13A 111.0(5) .
C8 C13 H13B 110.5(6) .
H13A C13 H13B 108.0(8) .
C8 C13 H13C 110.7(5) .
H13A C13 H13C 107.5(8) .
H13B C13 H13C 109.1(8) .
C15 C14 C18 107.6(3) .
C15 C14 C22 125.1(3) .
C18 C14 C22 127.0(3) .
C15 C14 Y1 75.99(18) .
C18 C14 Y1 75.09(19) .
C22 C14 Y1 119.4(2) .
C14 C15 C16 109.2(3) .
C14 C15 C19 120.6(3) .
C16 C15 C19 129.5(3) .
C14 C15 Y1 73.39(18) .
C16 C15 Y1 74.13(18) .
C19 C15 Y1 126.3(2) .
C15 C16 C17 105.9(3) .
C15 C16 Si1 129.8(3) .
C17 C16 Si1 119.9(3) .
C15 C16 Y1 74.97(18) .
C17 C16 Y1 73.66(18) .
Si1 C16 Y1 134.7(2) .
C18 C17 C16 109.1(3) .
C18 C17 C20 122.4(3) .
C16 C17 C20 128.2(3) .
C18 C17 Y1 75.18(18) .
C16 C17 Y1 75.23(18) .
C20 C17 Y1 121.4(2) .
C17 C18 C14 108.0(3) .
C17 C18 C21 125.0(3) .
C14 C18 C21 126.7(3) .
C17 C18 Y1 74.20(18) .
C14 C18 Y1 73.98(18) .
C21 C18 Y1 122.5(2) .
C15 C19 H19A 112.0(5) .
C15 C19 H19B 112.3(5) .
H19A C19 H19B 107.8(7) .
C15 C19 H19C 109.9(5) .
H19A C19 H19C 107.8(8) .
H19B C19 H19C 106.8(8) .
C17 C20 H20A 113.0(5) .
C17 C20 H20B 110.9(6) .
H20A C20 H20B 107.6(9) .
C17 C20 H20C 112.1(6) .
H20A C20 H20C 107.3(8) .
H20B C20 H20C 105.6(8) .
C18 C21 H21A 112.4(6) .
C18 C21 H21B 114.0(6) .
H21A C21 H21B 106.1(11) .
C18 C21 H21C 111.8(7) .
H21A C21 H21C 105.1(13) .
H21B C21 H21C 106.8(14) .
C14 C22 H22A 112.4(6) .
C14 C22 H22B 110.9(6) .
H22A C22 H22B 108.0(9) .
C14 C22 H22C 112.4(5) .
H22A C22 H22C 106.6(9) .
H22B C22 H22C 106.2(9) .
Si1 C23 H23A 105.6(5) .
Si1 C23 H23B 114.6(5) .
H23A C23 H23B 106.0(8) .
Si1 C23 H23C 113.6(6) .
H23A C23 H23C 107.4(8) .
H23B C23 H23C 109.0(9) .
Si1 C24 H24A 109.9(6) .
Si1 C24 H24B 112.8(6) .
H24A C24 H24B 107.6(9) .
Si1 C24 H24C 111.4(6) .
H24A C24 H24C 108.2(10) .
H24B C24 H24C 106.6(10) .
Si1 C25 H25A 110.1(6) .
Si1 C25 H25B 113.7(6) .
H25A C25 H25B 106.3(9) .
Si1 C25 H25C 112.5(7) .
H25A C25 H25C 107.1(10) .
H25B C25 H25C 106.8(11) .
C27 C26 C30 106.3(3) .
C27 C26 Si2 121.1(3) .
C30 C26 Si2 128.8(3) .
C27 C26 Y2 73.08(18) .
C30 C26 Y2 74.81(18) .
Si2 C26 Y2 134.5(2) .
C28 C27 C26 109.0(3) .
C28 C27 C32 122.7(3) .
C26 C27 C32 127.9(3) .
C28 C27 Y2 74.57(19) .
C26 C27 Y2 75.57(18) .
C32 C27 Y2 121.4(2) .
C27 C28 C29 108.3(3) .
C27 C28 C33 124.5(3) .
C29 C28 C33 127.0(3) .
C27 C28 Y2 74.44(19) .
C29 C28 Y2 74.16(19) .
C33 C28 Y2 121.0(2) .
C28 C29 C30 107.8(3) .
C28 C29 C34 126.7(3) .
C30 C29 C34 125.4(3) .
C28 C29 Y2 74.63(19) .
C30 C29 Y2 76.27(19) .
C34 C29 Y2 117.7(2) .
C29 C30 C26 108.6(3) .
C29 C30 C31 122.5(3) .
C26 C30 C31 128.4(3) .
C29 C30 Y2 72.68(19) .
C26 C30 Y2 74.07(18) .
C31 C30 Y2 125.4(2) .
C30 C31 H31A 112.5(6) .
C30 C31 H31B 112.1(6) .
H31A C31 H31B 105.1(9) .
C30 C31 H31C 112.8(5) .
H31A C31 H31C 107.0(8) .
H31B C31 H31C 106.8(9) .
C27 C32 H32A 112.1(5) .
C27 C32 H32B 111.6(6) .
H32A C32 H32B 106.2(8) .
C27 C32 H32C 112.0(6) .
H32A C32 H32C 107.3(8) .
H32B C32 H32C 107.3(8) .
C28 C33 H33A 111.8(6) .
C28 C33 H33B 111.4(6) .
H33A C33 H33B 106.6(10) .
C28 C33 H33C 113.9(6) .
H33A C33 H33C 106.9(8) .
H33B C33 H33C 105.8(10) .
C29 C34 H34A 112.5(7) .
C29 C34 H34B 112.0(6) .
H34A C34 H34B 105.5(10) .
C29 C34 H34C 111.9(6) .
H34A C34 H34C 108.0(10) .
H34B C34 H34C 106.7(11) .
Si2 C35 H35A 107.9(6) .
Si2 C35 H35B 113.2(5) .
H35A C35 H35B 107.0(7) .
Si2 C35 H35C 113.6(5) .
H35A C35 H35C 106.0(8) .
H35B C35 H35C 108.7(8) .
Si2 C36 H36A 111.6(7) .
Si2 C36 H36B 112.4(6) .
H36A C36 H36B 107.5(10) .
Si2 C36 H36C 110.4(7) .
H36A C36 H36C 106.6(10) .
H36B C36 H36C 108.1(10) .
Si2 C37 H37A 111.1(6) .
Si2 C37 H37B 111.2(6) .
H37A C37 H37B 106.6(8) .
Si2 C37 H37C 112.2(6) .
H37A C37 H37C 108.0(9) .
H37B C37 H37C 107.5(9) .
C39 C38 C42 106.6(2) .
C39 C38 Si3 129.9(3) .
C42 C38 Si3 123.3(3) .
C39 C38 Y3 74.19(18) .
C42 C38 Y3 74.90(18) .
Si3 C38 Y3 120.1(2) .
C40 C39 C38 108.4(3) .
C40 C39 C44 125.5(3) .
C38 C39 C44 126.0(3) .
C40 C39 Y3 74.11(19) .
C38 C39 Y3 74.48(18) .
C44 C39 Y3 120.7(2) .
C41 C40 C39 108.4(2) .
C41 C40 C45 124.6(3) .
C39 C40 C45 126.9(3) .
C41 C40 Y3 75.26(18) .
C39 C40 Y3 74.84(18) .
C45 C40 Y3 119.6(2) .
C42 C41 C40 108.2(3) .
C42 C41 C46 125.9(3) .
C40 C41 C46 125.6(3) .
C42 C41 Y3 74.97(18) .
C40 C41 Y3 73.77(18) .
C46 C41 Y3 122.7(2) .
C41 C42 C38 108.5(3) .
C41 C42 C43 124.8(3) .
C38 C42 C43 126.4(3) .
C41 C42 Y3 74.26(18) .
C38 C42 Y3 73.74(18) .
C43 C42 Y3 123.2(2) .
C42 C43 H43A 112.9(5) .
C42 C43 H43B 111.3(6) .
H43A C43 H43B 106.2(8) .
C42 C43 H43C 111.9(6) .
H43A C43 H43C 106.4(8) .
H43B C43 H43C 107.9(8) .
C39 C44 H44A 112.3(5) .
C39 C44 H44B 110.2(5) .
H44A C44 H44B 108.3(7) .
C39 C44 H44C 112.0(5) .
H44A C44 H44C 107.4(7) .
H44B C44 H44C 106.5(7) .
C40 C45 H45A 111.7(6) .
C40 C45 H45B 112.4(6) .
H45A C45 H45B 107.1(9) .
C40 C45 H45C 112.9(5) .
H45A C45 H45C 106.1(9) .
H45B C45 H45C 106.1(9) .
C41 C46 H46A 112.6(5) .
C41 C46 H46B 111.4(6) .
H46A C46 H46B 106.3(10) .
C41 C46 H46C 111.4(6) .
H46A C46 H46C 107.0(11) .
H46B C46 H46C 108.0(10) .
Si3 C47 H47A 110.9(5) .
Si3 C47 H47B 111.3(6) .
H47A C47 H47B 108.6(9) .
Si3 C47 H47C 112.7(6) .
H47A C47 H47C 106.2(8) .
H47B C47 H47C 106.9(10) .
Si3 C48 H48A 109.5(6) .
Si3 C48 H48B 110.5(6) .
H48A C48 H48B 107.7(9) .
Si3 C48 H48C 113.0(6) .
H48A C48 H48C 107.1(10) .
H48B C48 H48C 108.9(10) .
Si3 C49 H49A 112.8(6) .
Si3 C49 H49B 113.8(6) .
H49A C49 H49B 107.9(8) .
Si3 C49 H49C 107.6(6) .
H49A C49 H49C 106.5(8) .
H49B C49 H49C 107.9(8) .
C54 C50 C51 106.9(3) .
C54 C50 Si4 123.5(4) .
C51 C50 Si4 127.4(4) .
C54 C50 Y4 75.72(18) .
C51 C50 Y4 74.74(19) .
Si4 C50 Y4 128.4(2) .
C52 C51 C50 108.2(3) .
C52 C51 C56 125.6(4) .
C50 C51 C56 125.7(4) .
C52 C51 Y4 74.47(18) .
C50 C51 Y4 74.03(19) .
C56 C51 Y4 124.3(2) .
C51 C52 C53 108.3(3) .
C51 C52 C57 125.7(3) .
C53 C52 C57 125.6(3) .
C51 C52 Y4 74.84(19) .
C53 C52 Y4 75.47(18) .
C57 C52 Y4 122.1(2) .
C54 C53 C52 108.1(3) .
C54 C53 C58 127.4(3) .
C52 C53 C58 124.1(3) .
C54 C53 Y4 74.96(18) .
C52 C53 Y4 73.76(18) .
C58 C53 Y4 122.4(2) .
C53 C54 C50 108.5(3) .
C53 C54 C55 126.0(3) .
C50 C54 C55 124.8(3) .
C53 C54 Y4 74.60(18) .
C50 C54 Y4 73.32(18) .
C55 C54 Y4 125.9(2) .
C54 C55 H55A 110.7(6) .
C54 C55 H55B 111.5(6) .
H55A C55 H55B 105.8(9) .
C54 C55 H55C 113.8(6) .
H55A C55 H55C 106.7(9) .
H55B C55 H55C 107.9(9) .
C51 C56 H56A 114.3(8) .
C51 C56 H56B 111.3(8) .
H56A C56 H56B 106.0(10) .
C51 C56 H56C 110.6(6) .
H56A C56 H56C 106.6(12) .
H56B C56 H56C 107.8(12) .
C52 C57 H57A 113.0(7) .
C52 C57 H57B 110.2(6) .
H57A C57 H57B 106.9(12) .
C52 C57 H57C 112.6(7) .
H57A C57 H57C 105.0(11) .
H57B C57 H57C 108.8(12) .
C53 C58 H58A 111.7(7) .
C53 C58 H58B 110.7(6) .
H58A C58 H58B 107.2(10) .
C53 C58 H58C 113.5(6) .
H58A C58 H58C 105.7(10) .
H58B C58 H58C 107.7(9) .
Si4 C59 H59A 112.0(10) .
Si4 C59 H59B 111.2(15) .
H59A C59 H59B 109.5(14) .
Si4 C59 H59C 113.4(8) .
H59A C59 H59C 103.7(16) .
H59B C59 H59C 106.8(15) .
Si4 C60 H60A 110.0(7) .
Si4 C60 H60B 111.7(7) .
H60A C60 H60B 107.2(10) .
Si4 C60 H60C 113.2(7) .
H60A C60 H60C 106.3(11) .
H60B C60 H60C 108.2(11) .
Si4 C61 H61A 114.2(11) .
Si4 C61 H61B 112.8(12) .
H61A C61 H61B 104.0(16) .
Si4 C61 H61C 111.4(10) .
H61A C61 H61C 109.9(14) .
H61B C61 H61C 103.9(19) .
C72 C71 H71A 116(2) 1_665
C72 C71 H71B 111.5(11) 1_665
H71A C71 H71B 119.0(18) .
C72 C71 H71C 108.6(11) 1_665
H71A C71 H71C 109.1(17) .
H71B C71 H71C 88.3(19) .
C71 C72 C73 105.6(8) 1_445
C71 C72 H72A 105.7(13) 1_445
C73 C72 H72A 111.0(9) .
C71 C72 H72B 111.4(11) 1_445
C73 C72 H72B 114.0(12) .
H72A C72 H72B 108.8(13) .
C73 C73 C72 112.5(9) 2_565
C73 C73 H73A 111.4(13) 2_565
C72 C73 H73A 112.0(10) .
C73 C73 H73B 105.7(19) 2_565
C72 C73 H73B 111.2(14) .
H73A C73 H73B 103.4(16) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 C8 2.241(5) .
W1 C4 2.258(5) .
W1 C7 2.341(5) .
W1 C5 2.370(5) .
W1 C6 2.422(5) .
W1 P1 2.475(6) .
W1 Y2 3.219(5) .
W1 Y1 3.353(5) .
W1 H2 1.769(7) .
W1 H3 1.754(8) .
W1 H4 1.777(8) .
W1 H5 1.776(8) .
Y1 H3 2.555(8) .
Y1 H2 2.631(8) .
Y1 C17 2.663(4) .
Y1 C14 2.661(4) .
Y1 C18 2.675(4) .
Y1 C16 2.683(4) .
Y1 C15 2.694(4) .
Y1 Y3 3.514(4) .
Y1 Y4 3.526(3) .
Y1 Y2 4.003(3) .
Y1 H1 2.273(8) .
Y1 H2 2.631(8) .
Y1 H3 2.555(8) .
Y1 H4 2.316(8) .
Y1 H6 2.159(9) .
Y1 H7 2.173(8) .
Y1 H10 2.516(9) .
Y2 C29 2.639(4) .
Y2 C27 2.643(4) .
Y2 C28 2.645(4) .
Y2 C26 2.676(4) .
Y2 C30 2.685(4) .
Y2 Y3 3.627(4) .
Y2 Y4 3.679(3) .
Y2 H1 2.230(7) .
Y2 H2 2.433(8) .
Y2 H3 2.438(8) .
Y2 H5 2.249(8) .
Y2 H8 2.186(7) .
Y2 H9 2.165(8) .
Y3 C40 2.646(4) .
Y3 C39 2.655(4) .
Y3 C38 2.659(4) .
Y3 C41 2.665(4) .
Y3 C42 2.674(4) .
Y3 Y4 3.486(3) .
Y3 H1 2.208(8) .
Y3 H7 2.156(8) .
Y3 H9 2.170(7) .
Y3 H10 2.257(8) .
Y3 H11 2.170(8) .
Y4 C50 2.662(4) .
Y4 C52 2.667(4) .
Y4 C51 2.672(4) .
Y4 C53 2.689(4) .
Y4 C54 2.694(4) .
Y4 H1 2.246(7) .
Y4 H6 2.140(9) .
Y4 H8 2.148(8) .
Y4 H10 2.268(8) .
Y4 H11 2.166(8) .
P1 C1 1.828(5) .
P1 C3 1.832(5) .
P1 C2 1.830(5) .
Si1 C16 1.870(6) .
Si1 C25 1.883(6) .
Si1 C23 1.873(6) .
Si1 C24 1.886(6) .
Si2 C26 1.868(6) .
Si2 C35 1.874(6) .
Si2 C36 1.879(6) .
Si2 C37 1.883(7) .
Si3 C38 1.866(5) .
Si3 C48 1.873(6) .
Si3 C49 1.881(6) .
Si3 C47 1.886(6) .
Si4 C50 1.857(7) .
Si4 C61 1.850(9) .
Si4 C60 1.887(7) .
Si4 C59 1.891(12) .
C1 H1A 1.088(9) .
C1 H1B 1.076(9) .
C1 H1C 1.074(9) .
C2 H2A 1.089(8) .
C2 H2B 1.080(8) .
C2 H2C 1.078(9) .
C3 H3A 1.071(9) .
C3 H3B 1.065(9) .
C3 H3C 1.074(9) .
C4 C5 1.434(4) .
C4 C8 1.454(4) .
C4 C9 1.497(4) .
C5 C6 1.414(4) .
C5 C10 1.499(4) .
C6 C7 1.418(4) .
C6 C11 1.502(4) .
C7 C8 1.433(4) .
C7 C12 1.508(4) .
C8 C13 1.505(4) .
C9 H9A 1.062(9) .
C9 H9B 1.093(9) .
C9 H9C 1.086(8) .
C10 H10A 1.081(9) .
C10 H10B 1.076(9) .
C10 H10C 1.066(9) .
C11 H11A 1.069(9) .
C11 H11B 1.083(8) .
C11 H11C 1.096(9) .
C12 H12A 1.066(10) .
C12 H12B 1.080(9) .
C12 H12C 1.067(8) .
C13 H13A 1.083(9) .
C13 H13B 1.069(9) .
C13 H13C 1.087(8) .
C14 C15 1.414(4) .
C14 C18 1.423(4) .
C14 C22 1.501(5) .
C15 C16 1.432(4) .
C15 C19 1.508(4) .
C16 C17 1.434(4) .
C17 C18 1.409(4) .
C17 C20 1.502(5) .
C18 C21 1.493(4) .
C19 H19A 1.077(8) .
C19 H19B 1.086(9) .
C19 H19C 1.082(9) .
C20 H20A 1.077(8) .
C20 H20B 1.073(10) .
C20 H20C 1.072(9) .
C21 H21A 1.043(11) .
C21 H21B 1.059(10) .
C21 H21C 1.032(11) .
C22 H22A 1.067(9) .
C22 H22B 1.064(11) .
C22 H22C 1.089(10) .
C23 H23A 1.106(9) .
C23 H23B 1.069(9) .
C23 H23C 1.054(11) .
C24 H24A 1.074(11) .
C24 H24B 1.075(10) .
C24 H24C 1.077(11) .
C25 H25A 1.090(10) .
C25 H25B 1.086(10) .
C25 H25C 1.069(12) .
C26 C27 1.437(4) .
C26 C30 1.438(5) .
C27 C28 1.413(4) .
C27 C32 1.507(5) .
C28 C29 1.422(5) .
C28 C33 1.490(4) .
C29 C30 1.426(4) .
C29 C34 1.500(5) .
C30 C31 1.496(5) .
C31 H31A 1.079(9) .
C31 H31B 1.077(10) .
C31 H31C 1.077(9) .
C32 H32A 1.077(9) .
C32 H32B 1.086(9) .
C32 H32C 1.075(10) .
C33 H33A 1.067(10) .
C33 H33B 1.075(10) .
C33 H33C 1.076(11) .
C34 H34A 1.070(10) .
C34 H34B 1.056(11) .
C34 H34C 1.077(9) .
C35 H35A 1.077(9) .
C35 H35B 1.067(9) .
C35 H35C 1.083(9) .
C36 H36A 1.065(10) .
C36 H36B 1.068(11) .
C36 H36C 1.068(14) .
C37 H37A 1.069(9) .
C37 H37B 1.073(10) .
C37 H37C 1.090(9) .
C38 C39 1.435(4) .
C38 C42 1.441(4) .
C39 C40 1.419(4) .
C39 C44 1.501(4) .
C40 C41 1.418(4) .
C40 C45 1.513(4) .
C41 C42 1.416(4) .
C41 C46 1.501(4) .
C42 C43 1.497(4) .
C43 H43A 1.082(9) .
C43 H43B 1.086(9) .
C43 H43C 1.087(10) .
C44 H44A 1.072(8) .
C44 H44B 1.083(8) .
C44 H44C 1.085(9) .
C45 H45A 1.092(9) .
C45 H45B 1.062(10) .
C45 H45C 1.068(10) .
C46 H46A 1.077(10) .
C46 H46B 1.085(10) .
C46 H46C 1.045(9) .
C47 H47A 1.078(9) .
C47 H47B 1.085(10) .
C47 H47C 1.071(10) .
C48 H48A 1.088(10) .
C48 H48B 1.065(9) .
C48 H48C 1.071(11) .
C49 H49A 1.073(9) .
C49 H49B 1.075(10) .
C49 H49C 1.077(8) .
C50 C54 1.430(5) .
C50 C51 1.436(5) .
C51 C52 1.413(5) .
C51 C56 1.500(5) .
C52 C53 1.421(5) .
C52 C57 1.503(5) .
C53 C54 1.413(5) .
C53 C58 1.504(5) .
C54 C55 1.507(5) .
C55 H55A 1.093(9) .
C55 H55B 1.080(11) .
C55 H55C 1.069(9) .
C56 H56A 1.056(15) .
C56 H56B 1.096(16) .
C56 H56C 1.083(10) .
C57 H57A 1.057(13) .
C57 H57B 1.059(10) .
C57 H57C 1.072(12) .
C58 H58A 1.065(11) .
C58 H58B 1.074(10) .
C58 H58C 1.078(9) .
C59 H59A 1.088(14) .
C59 H59B 1.055(16) .
C59 H59C 1.09(2) .
C60 H60A 1.083(16) .
C60 H60B 1.061(11) .
C60 H60C 1.072(12) .
C61 H61A 1.058(13) .
C61 H61B 1.18(4) .
C61 H61C 1.069(16) .
C71 C72 1.498(14) 1_665
C71 H71A 1.07(2) .
C71 H71B 1.12(3) .
C71 H71C 1.24(3) .
C72 C71 1.498(14) 1_445
C72 C73 1.539(9) .
C72 H72A 1.073(14) .
C72 H72B 0.86(3) .
C73 C73 1.367(19) 2_565
C73 H73A 1.121(18) .
C73 H73B 1.09(2) .
