#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/42/4084276.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_4084276
loop_
_publ_author_name
'Krabbe, Stefan'
'Wagner, Michael'
'Löw, Christian'
'Dietz, Christina'
'Schürmann, Markus'
'Hoffmann, Alexander'
'Herres-Pawlis, Sonja'
'Lutter, Michael'
'Jurkschat, Klaus'
_publ_section_title
;
 Syntheses and Molecular Structures of [RSn{W(CO)3Cp}2][W(CO)3Cp],
 [RSn{W(CO)3Cp}Cl2], and [RSn{W(CO)3Cp}Cr(CO)5] (R =
 [4-t-Bu-2,6-{P(O)(OR′)2}2C6H2], R′ = Et,i-Pr).
 Autoionization Induced by Intramolecular P═O→ Sn
 Coordination
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4433
_journal_paper_doi               10.1021/om500649d
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety
'C38 H49 O12 P2 Sn W2, C8 H5 O3 W, 0.5(C7 H8)'
_chemical_formula_sum            'C49.5 H58 O15 P2 Sn W3'
_chemical_formula_weight         1625.14
_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                97.518(5)
_cell_angle_beta                 97.034(5)
_cell_angle_gamma                94.070(5)
_cell_formula_units_Z            2
_cell_length_a                   11.1707(6)
_cell_length_b                   15.8064(9)
_cell_length_c                   16.0709(9)
_cell_measurement_reflns_used    6079
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.1470
_cell_measurement_theta_min      2.5600
_cell_volume                     2781.1(3)
_computing_cell_refinement
'CrysAlisPro, Agilent Technologies, Version 1.171.33.55''
_computing_data_collection
'CrysAlisPro, Agilent Technologies, Version 1.171.33.55''
_computing_data_reduction
'CrysAlisPro, Agilent Technologies, Version 1.171.33.55''
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'enCIFer Version 1.4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'XcaliburS, Sapphire3'
_diffrn_measurement_method       'ω und ψ scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0756
_diffrn_reflns_av_sigmaI/netI    0.0907
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36360
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    6.747
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.941
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             1554
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.206
_refine_diff_density_min         -1.879
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.813
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         10365
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.813
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0821P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1066
_refine_ls_wR_factor_ref         0.1233
_reflns_number_gt                7361
_reflns_number_total             10365
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500649d_si_001.cif
_cod_data_source_block           compound2*0.5toluene
_cod_original_formula_sum        'C49.50 H58 O15 P2 Sn W3'
_cod_database_code               4084276
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 0.28093(3) 0.17996(2) 0.05114(2) 0.01850(11) Uani 1 1 d . . .
W2 W 0.38987(3) 0.45995(3) 0.24979(3) 0.02204(11) Uani 1 1 d . . .
W3 W 0.00142(4) 0.24249(3) 0.74927(3) 0.02738(12) Uani 1 1 d . . .
Sn1 Sn 0.42809(5) 0.28908(4) 0.18660(4) 0.01528(15) Uani 1 1 d . . .
P1 P 0.7049(2) 0.30224(16) 0.12938(14) 0.0167(5) Uani 1 1 d . . .
O1 O 0.5811(5) 0.3308(4) 0.1071(3) 0.0161(13) Uani 1 1 d . . .
O1' O 0.7532(6) 0.2501(4) 0.0533(4) 0.0251(15) Uani 1 1 d . . .
O1'' O 0.8098(6) 0.3746(4) 0.1615(4) 0.0251(16) Uani 1 1 d . . .
P2 P 0.4398(2) 0.18955(17) 0.35692(15) 0.0214(6) Uani 1 1 d . . .
O2 O 0.3466(5) 0.2121(4) 0.2903(4) 0.0207(15) Uani 1 1 d . . .
O2' O 0.4104(6) 0.1011(4) 0.3869(4) 0.0288(17) Uani 1 1 d . . .
O2'' O 0.4615(6) 0.2531(5) 0.4417(4) 0.0311(17) Uani 1 1 d . . .
C1 C 0.5877(8) 0.2360(5) 0.2486(5) 0.0126(18) Uani 1 1 d . . .
C2 C 0.7000(8) 0.2429(6) 0.2151(5) 0.016(2) Uani 1 1 d . . .
C3 C 0.7998(9) 0.2076(6) 0.2517(6) 0.022(2) Uani 1 1 d . . .
H3 H 0.8727 0.2133 0.2296 0.026 Uiso 1 1 calc R . .
C4 C 0.7934(8) 0.1634(6) 0.3215(5) 0.018(2) Uani 1 1 d . . .
C5 C 0.6831(8) 0.1591(6) 0.3547(5) 0.019(2) Uani 1 1 d . . .
H5 H 0.6768 0.1315 0.4018 0.023 Uiso 1 1 calc R . .
C6 C 0.5831(8) 0.1950(6) 0.3187(5) 0.016(2) Uani 1 1 d . . .
C7 C 0.9055(9) 0.1213(7) 0.3578(6) 0.026(2) Uani 1 1 d . . .
C8 C 1.0150(9) 0.1865(7) 0.3791(7) 0.036(3) Uani 1 1 d . . .
H8A H 0.9962 0.2345 0.4169 0.054 Uiso 1 1 calc R . .
H8B H 1.0360 0.2057 0.3281 0.054 Uiso 1 1 calc R . .
H8C H 1.0820 0.1606 0.4058 0.054 Uiso 1 1 calc R . .
C9 C 0.9316(11) 0.0494(8) 0.2891(7) 0.046(3) Uani 1 1 d . . .
H9A H 0.9975 0.0196 0.3114 0.068 Uiso 1 1 calc R . .
H9B H 0.9526 0.0741 0.2407 0.068 Uiso 1 1 calc R . .
H9C H 0.8607 0.0099 0.2725 0.068 Uiso 1 1 calc R . .
C10 C 0.8841(10) 0.0820(8) 0.4360(7) 0.044(3) Uani 1 1 d . . .
H10A H 0.8609 0.1249 0.4775 0.066 Uiso 1 1 calc R . .
H10B H 0.9571 0.0599 0.4587 0.066 Uiso 1 1 calc R . .
H10C H 0.8207 0.0363 0.4214 0.066 Uiso 1 1 calc R . .
C11 C 0.6705(9) 0.1922(6) -0.0114(6) 0.030(2) Uani 1 1 d . . .
H11 H 0.5907 0.1855 0.0076 0.036 Uiso 1 1 calc R . .
C12 C 0.7217(12) 0.1071(8) -0.0224(9) 0.058(4) Uani 1 1 d . . .
H12A H 0.8030 0.1146 -0.0356 0.087 Uiso 1 1 calc R . .
H12B H 0.6728 0.0698 -0.0678 0.087 Uiso 1 1 calc R . .
H12C H 0.7221 0.0823 0.0290 0.087 Uiso 1 1 calc R . .
C13 C 0.6602(11) 0.2348(8) -0.0911(6) 0.044(3) Uani 1 1 d . . .
H13A H 0.6337 0.2910 -0.0787 0.066 Uiso 1 1 calc R . .
H13B H 0.6026 0.2011 -0.1341 0.066 Uiso 1 1 calc R . .
H13C H 0.7378 0.2394 -0.1109 0.066 Uiso 1 1 calc R . .
C14 C 0.8586(9) 0.4317(6) 0.1059(6) 0.024(2) Uani 1 1 d . . .
H14 H 0.8604 0.3991 0.0499 0.029 Uiso 1 1 calc R . .
C15 C 0.7819(9) 0.5045(7) 0.0972(7) 0.038(3) Uani 1 1 d . . .
H15A H 0.7034 0.4830 0.0677 0.057 Uiso 1 1 calc R . .
H15B H 0.8195 0.5442 0.0659 0.057 Uiso 1 1 calc R . .
H15C H 0.7733 0.5330 0.1524 0.057 Uiso 1 1 calc R . .
C16 C 0.9864(10) 0.4603(7) 0.1467(8) 0.045(3) Uani 1 1 d . . .
H16A H 0.9859 0.4832 0.2050 0.067 Uiso 1 1 calc R . .
H16B H 1.0203 0.5036 0.1176 0.067 Uiso 1 1 calc R . .
H16C H 1.0345 0.4123 0.1435 0.067 Uiso 1 1 calc R . .
C21 C 0.3700(10) 0.2581(8) 0.5028(6) 0.039(3) Uani 1 1 d . . .
H21 H 0.3004 0.2163 0.4816 0.046 Uiso 1 1 calc R . .
C22 C 0.4345(12) 0.2360(12) 0.5836(7) 0.079(6) Uani 1 1 d . . .
H22A H 0.4569 0.1784 0.5743 0.119 Uiso 1 1 calc R . .
H22B H 0.3818 0.2409 0.6266 0.119 Uiso 1 1 calc R . .
H22C H 0.5059 0.2747 0.6015 0.119 Uiso 1 1 calc R . .
C23 C 0.3307(14) 0.3470(10) 0.5091(9) 0.076(5) Uani 1 1 d . . .
H23A H 0.4007 0.3877 0.5186 0.114 Uiso 1 1 calc R . .
H23B H 0.2843 0.3565 0.5555 0.114 Uiso 1 1 calc R . .
H23C H 0.2818 0.3539 0.4574 0.114 Uiso 1 1 calc R . .
C24 C 0.3470(12) 0.0247(7) 0.3349(7) 0.041(3) Uani 1 1 d . . .
H24 H 0.2900 0.0422 0.2904 0.050 Uiso 1 1 calc R . .
C25 C 0.4335(16) -0.0310(9) 0.2945(10) 0.081(5) Uani 1 1 d . . .
H25A H 0.4744 -0.0003 0.2570 0.122 Uiso 1 1 calc R . .
H25B H 0.3894 -0.0819 0.2631 0.122 Uiso 1 1 calc R . .
H25C H 0.4918 -0.0465 0.3377 0.122 Uiso 1 1 calc R . .
C26 C 0.2758(11) -0.0196(8) 0.3945(7) 0.049(3) Uani 1 1 d . . .
H26A H 0.3310 -0.0367 0.4386 0.073 Uiso 1 1 calc R . .
H26B H 0.2283 -0.0693 0.3633 0.073 Uiso 1 1 calc R . .
H26C H 0.2232 0.0191 0.4191 0.073 Uiso 1 1 calc R . .
O31 O 0.3575(7) 0.0909(5) -0.1177(5) 0.043(2) Uani 1 1 d . . .
O32 O 0.4917(6) 0.0746(4) 0.1159(4) 0.0318(17) Uani 1 1 d . . .
O33 O 0.3699(7) 0.3363(5) -0.0338(4) 0.0352(18) Uani 1 1 d . . .
C31 C 0.3316(9) 0.1245(6) -0.0545(6) 0.024(2) Uani 1 1 d . . .
C32 C 0.4179(9) 0.1161(6) 0.0934(6) 0.025(2) Uani 1 1 d . . .
C33 C 0.3407(9) 0.2792(6) -0.0007(6) 0.023(2) Uani 1 1 d . . .
C34 C 0.1292(7) 0.1846(5) 0.1395(5) 0.0433(14) Uani 1 1 d G . .
H34 H 0.1462 0.2085 0.1962 0.052 Uiso 1 1 calc R . .
C35 C 0.0937(7) 0.2284(5) 0.0716(5) 0.0433(14) Uani 1 1 d G . .
H35 H 0.0829 0.2866 0.0752 0.052 Uiso 1 1 calc R . .
C36 C 0.0772(7) 0.1695(5) -0.0027(5) 0.0433(14) Uani 1 1 d G . .
H36 H 0.0536 0.1815 -0.0571 0.052 Uiso 1 1 calc R . .
C37 C 0.1026(7) 0.0892(5) 0.0193(5) 0.0433(14) Uani 1 1 d G . .
H37 H 0.0987 0.0385 -0.0180 0.052 Uiso 1 1 calc R . .
C38 C 0.1347(7) 0.0985(5) 0.1072(5) 0.0433(14) Uani 1 1 d G . .
H38 H 0.1559 0.0552 0.1386 0.052 Uiso 1 1 calc R . .
O41 O 0.6403(8) 0.4247(6) 0.3436(6) 0.059(3) Uani 1 1 d . . .
O42 O 0.3689(10) 0.5386(7) 0.4364(6) 0.071(3) Uani 1 1 d . . .
O43 O 0.1650(7) 0.3508(5) 0.2906(6) 0.053(2) Uani 1 1 d . . .
C41 C 0.5471(11) 0.4339(7) 0.3097(7) 0.039(3) Uani 1 1 d . . .
C42 C 0.3793(10) 0.5108(8) 0.3691(8) 0.040(3) Uani 1 1 d . . .
C43 C 0.2507(10) 0.3878(7) 0.2752(7) 0.034(3) Uani 1 1 d . . .
C44 C 0.4280(6) 0.4927(4) 0.1162(4) 0.0285(11) Uani 1 1 d G . .
H44 H 0.4648 0.4553 0.0797 0.034 Uiso 1 1 calc R . .
C45 C 0.4881(6) 0.5601(4) 0.1775(4) 0.0285(11) Uani 1 1 d G . .
H45 H 0.5712 0.5746 0.1882 0.034 Uiso 1 1 calc R . .
C46 C 0.3989(6) 0.6014(4) 0.2196(4) 0.0285(11) Uani 1 1 d G . .
H46 H 0.4135 0.6478 0.2627 0.034 Uiso 1 1 calc R . .
C47 C 0.2837(6) 0.5596(4) 0.1843(4) 0.0285(11) Uani 1 1 d G . .
H47 H 0.2096 0.5737 0.2002 0.034 Uiso 1 1 calc R . .
C48 C 0.3017(6) 0.4924(4) 0.1204(4) 0.0285(11) Uani 1 1 d G . .
H48 H 0.2413 0.4548 0.0872 0.034 Uiso 1 1 calc R . .
O51 O -0.0318(7) 0.3481(5) 0.9224(4) 0.0358(18) Uani 1 1 d . . .
O52 O -0.2596(8) 0.2685(7) 0.6704(6) 0.074(3) Uani 1 1 d . . .
O53 O -0.1111(8) 0.0805(5) 0.8127(5) 0.050(2) Uani 1 1 d . . .
C51 C -0.0221(9) 0.3082(7) 0.8569(7) 0.031(3) Uani 1 1 d . . .
C52 C -0.1632(11) 0.2593(7) 0.7017(7) 0.040(3) Uani 1 1 d . . .
C53 C -0.0705(11) 0.1432(8) 0.7893(7) 0.038(3) Uani 1 1 d . . .
C54 C 0.1171(7) 0.1843(5) 0.6438(4) 0.0337(12) Uani 1 1 d G . .
H54 H 0.0895 0.1333 0.6087 0.040 Uiso 1 1 calc R . .
C55 C 0.1908(7) 0.1920(5) 0.7227(4) 0.0337(12) Uani 1 1 d G . .
H55 H 0.2203 0.1471 0.7488 0.040 Uiso 1 1 calc R . .
C56 C 0.2119(7) 0.2799(5) 0.7552(4) 0.0337(12) Uani 1 1 d G . .
H56 H 0.2577 0.3031 0.8064 0.040 Uiso 1 1 calc R . .
C57 C 0.1512(7) 0.3264(5) 0.6964(4) 0.0337(12) Uani 1 1 d G . .
H57 H 0.1501 0.3857 0.7020 0.040 Uiso 1 1 calc R . .
C58 C 0.0927(7) 0.2673(5) 0.6275(4) 0.0337(12) Uani 1 1 d G . .
H58 H 0.0461 0.2808 0.5798 0.040 Uiso 1 1 calc R . .
C2L C 0.9132(14) 0.4297(10) 0.4930(11) 0.066(4) Uani 1 1 d . . .
H2L H 0.8553 0.3835 0.4884 0.079 Uiso 0.50 1 calc PR A 1
C1L C 0.821(3) 0.355(2) 0.486(2) 0.078(10) Uani 0.50 1 d P B 2
H1L1 H 0.7424 0.3724 0.4689 0.118 Uiso 0.50 1 calc PR B 2
H1L2 H 0.8225 0.3356 0.5405 0.118 Uiso 0.50 1 calc PR B 2
H1L3 H 0.8397 0.3099 0.4454 0.118 Uiso 0.50 1 calc PR B 2
C3L C 0.9586(14) 0.4753(12) 0.5722(10) 0.076(5) Uani 1 1 d . . .
H3L H 0.9320 0.4590 0.6209 0.092 Uiso 1 1 calc R . .
C4L C 0.9550(15) 0.4540(11) 0.4217(12) 0.080(5) Uani 1 1 d . . .
H4L H 0.9258 0.4233 0.3688 0.096 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
Sn Sn -0.6537 1.4246 '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
C31 W1 C33 77.5(4) . .
C31 W1 C32 77.3(4) . .
C33 W1 C32 110.8(4) . .
C31 W1 C36 94.5(3) . .
C33 W1 C36 100.0(3) . .
C32 W1 C36 145.3(3) . .
C31 W1 C35 128.1(3) . .
C33 W1 C35 96.2(4) . .
C32 W1 C35 147.4(4) . .
C36 W1 C35 35.09(16) . .
C31 W1 C37 87.8(3) . .
C33 W1 C37 131.7(3) . .
C32 W1 C37 110.3(3) . .
C36 W1 C37 35.02(16) . .
C35 W1 C37 58.2(2) . .
C31 W1 C34 145.8(3) . .
C33 W1 C34 123.9(4) . .
C32 W1 C34 112.4(3) . .
C36 W1 C34 58.2(2) . .
C35 W1 C34 34.93(15) . .
C37 W1 C34 58.0(2) . .
C31 W1 C38 115.1(3) . .
C33 W1 C38 154.1(4) . .
C32 W1 C38 94.5(3) . .
C36 W1 C38 58.1(2) . .
C35 W1 C38 58.0(2) . .
C37 W1 C38 34.82(15) . .
C34 W1 C38 34.77(15) . .
C31 W1 Sn1 127.4(3) . .
C33 W1 Sn1 75.1(3) . .
C32 W1 Sn1 71.8(3) . .
C36 W1 Sn1 133.9(2) . .
C35 W1 Sn1 99.0(2) . .
C37 W1 Sn1 142.6(2) . .
C34 W1 Sn1 86.09(19) . .
C38 W1 Sn1 109.0(2) . .
C43 W2 C41 112.5(5) . .
C43 W2 C42 79.2(5) . .
C41 W2 C42 78.3(5) . .
C43 W2 C47 98.6(4) . .
C41 W2 C47 146.6(4) . .
C42 W2 C47 96.8(4) . .
C43 W2 C48 97.6(4) . .
C41 W2 C48 141.9(4) . .
C42 W2 C48 131.9(4) . .
C47 W2 C48 35.60(14) . .
C43 W2 C46 129.3(4) . .
C41 W2 C46 111.3(4) . .
C42 W2 C46 86.0(4) . .
C47 W2 C46 35.42(14) . .
C48 W2 C46 58.9(2) . .
C43 W2 C44 127.2(4) . .
C41 W2 C44 106.8(4) . .
C42 W2 C44 143.9(4) . .
C47 W2 C44 58.9(2) . .
C48 W2 C44 35.34(14) . .
C46 W2 C44 58.5(2) . .
C43 W2 C45 155.4(4) . .
C41 W2 C45 91.8(4) . .
C42 W2 C45 110.8(4) . .
C47 W2 C45 58.7(2) . .
C48 W2 C45 58.6(2) . .
C46 W2 C45 35.07(13) . .
C44 W2 C45 35.02(13) . .
C43 W2 Sn1 74.3(3) . .
C41 W2 Sn1 72.6(3) . .
C42 W2 Sn1 128.6(4) . .
C47 W2 Sn1 129.83(17) . .
C48 W2 Sn1 95.03(17) . .
C46 W2 Sn1 143.95(17) . .
C44 W2 Sn1 85.66(17) . .
C45 W2 Sn1 111.53(16) . .
C53 W3 C52 85.9(5) . .
C53 W3 C51 87.2(4) . .
C52 W3 C51 90.2(4) . .
C53 W3 C57 157.0(4) . .
C52 W3 C57 113.0(4) . .
C51 W3 C57 105.0(3) . .
C53 W3 C56 125.6(4) . .
C52 W3 C56 147.6(4) . .
C51 W3 C56 98.0(3) . .
C57 W3 C56 34.64(14) . .
C53 W3 C58 135.3(4) . .
C52 W3 C58 95.9(4) . .
C51 W3 C58 137.3(3) . .
C57 W3 C58 34.58(14) . .
C56 W3 C58 57.5(2) . .
C53 W3 C55 99.5(4) . .
C52 W3 C55 146.7(4) . .
C51 W3 C55 122.7(3) . .
C57 W3 C55 57.5(2) . .
C56 W3 C55 34.56(14) . .
C58 W3 C55 57.3(2) . .
C53 W3 C54 104.2(4) . .
C52 W3 C54 112.3(4) . .
C51 W3 C54 155.1(4) . .
C57 W3 C54 57.4(2) . .
C56 W3 C54 57.4(2) . .
C58 W3 C54 34.46(14) . .
C55 W3 C54 34.45(14) . .
C1 Sn1 O1 78.0(3) . .
C1 Sn1 O2 76.5(3) . .
O1 Sn1 O2 154.1(2) . .
C1 Sn1 W2 116.5(2) . .
O1 Sn1 W2 94.01(15) . .
O2 Sn1 W2 100.88(15) . .
C1 Sn1 W1 117.1(2) . .
O1 Sn1 W1 96.67(14) . .
O2 Sn1 W1 91.37(15) . .
W2 Sn1 W1 126.44(2) . .
O1 P1 O1' 113.4(3) . .
O1 P1 O1'' 116.6(4) . .
O1' P1 O1'' 102.7(4) . .
O1 P1 C2 108.1(4) . .
O1' P1 C2 111.4(4) . .
O1'' P1 C2 104.2(4) . .
P1 O1 Sn1 117.4(3) . .
C11 O1' P1 121.0(6) . .
C14 O1'' P1 123.0(5) . .
O2 P2 O2' 114.5(4) . .
O2 P2 O2'' 115.4(4) . .
O2' P2 O2'' 103.1(4) . .
O2 P2 C6 108.3(4) . .
O2' P2 C6 111.4(4) . .
O2'' P2 C6 103.7(4) . .
P2 O2 Sn1 114.4(3) . .
C24 O2' P2 126.3(6) . .
C21 O2'' P2 121.8(7) . .
C6 C1 C2 118.0(8) . .
C6 C1 Sn1 122.3(6) . .
C2 C1 Sn1 119.7(6) . .
C3 C2 C1 120.4(8) . .
C3 C2 P1 123.0(7) . .
C1 C2 P1 116.5(6) . .
C2 C3 C4 121.3(9) . .
C2 C3 H3 119.3 . .
C4 C3 H3 119.3 . .
C5 C4 C3 117.4(8) . .
C5 C4 C7 123.0(8) . .
C3 C4 C7 119.6(8) . .
C6 C5 C4 121.5(8) . .
C6 C5 H5 119.3 . .
C4 C5 H5 119.3 . .
C1 C6 C5 121.4(8) . .
C1 C6 P2 115.2(6) . .
C5 C6 P2 123.4(6) . .
C10 C7 C8 109.2(9) . .
C10 C7 C9 108.5(9) . .
C8 C7 C9 109.0(9) . .
C10 C7 C4 111.9(8) . .
C8 C7 C4 110.5(8) . .
C9 C7 C4 107.7(8) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O1' C11 C12 108.1(9) . .
O1' C11 C13 106.6(8) . .
C12 C11 C13 113.5(10) . .
O1' C11 H11 109.5 . .
C12 C11 H11 109.5 . .
C13 C11 H11 109.5 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
O1'' C14 C15 110.6(8) . .
O1'' C14 C16 105.1(7) . .
C15 C14 C16 113.0(9) . .
O1'' C14 H14 109.3 . .
C15 C14 H14 109.3 . .
C16 C14 H14 109.3 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C23 C21 O2'' 106.8(9) . .
C23 C21 C22 114.5(12) . .
O2'' C21 C22 105.2(9) . .
C23 C21 H21 110.1 . .
O2'' C21 H21 110.1 . .
C22 C21 H21 110.1 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O2' C24 C25 111.6(11) . .
O2' C24 C26 105.2(8) . .
C25 C24 C26 113.2(11) . .
O2' C24 H24 108.9 . .
C25 C24 H24 108.9 . .
C26 C24 H24 108.9 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O31 C31 W1 177.7(9) . .
O32 C32 W1 175.5(9) . .
O33 C33 W1 176.4(8) . .
C35 C34 C38 108.0 . .
C35 C34 W1 71.9(3) . .
C38 C34 W1 72.8(3) . .
C35 C34 H34 126.0 . .
C38 C34 H34 126.0 . .
W1 C34 H34 121.0 . .
C34 C35 C36 108.0 . .
C34 C35 W1 73.2(3) . .
C36 C35 W1 72.3(3) . .
C34 C35 H35 126.0 . .
C36 C35 H35 126.0 . .
W1 C35 H35 120.3 . .
C37 C36 C35 108.0 . .
C37 C36 W1 73.0(3) . .
C35 C36 W1 72.6(3) . .
C37 C36 H36 126.0 . .
C35 C36 H36 126.0 . .
W1 C36 H36 120.2 . .
C38 C37 C36 108.0 . .
C38 C37 W1 73.1(3) . .
C36 C37 W1 72.0(3) . .
C38 C37 H37 126.0 . .
C36 C37 H37 126.0 . .
W1 C37 H37 120.7 . .
C37 C38 C34 108.0 . .
C37 C38 W1 72.1(3) . .
C34 C38 W1 72.4(3) . .
C37 C38 H38 126.0 . .
C34 C38 H38 126.0 . .
W1 C38 H38 121.2 . .
O41 C41 W2 175.2(10) . .
O42 C42 W2 177.5(11) . .
O43 C43 W2 175.1(10) . .
C45 C44 C48 108.0 . .
C45 C44 W2 73.0(3) . .
C48 C44 W2 71.2(3) . .
C45 C44 H44 126.0 . .
C48 C44 H44 126.0 . .
W2 C44 H44 121.5 . .
C44 C45 C46 108.0 . .
C44 C45 W2 72.0(3) . .
C46 C45 W2 71.7(3) . .
C44 C45 H45 126.0 . .
C46 C45 H45 126.0 . .
W2 C45 H45 122.0 . .
C47 C46 C45 108.0 . .
C47 C46 W2 71.3(3) . .
C45 C46 W2 73.2(3) . .
C47 C46 H46 126.0 . .
C45 C46 H46 126.0 . .
W2 C46 H46 121.2 . .
C46 C47 C48 108.0 . .
C46 C47 W2 73.3(3) . .
C48 C47 W2 72.3(3) . .
C46 C47 H47 126.0 . .
C48 C47 H47 126.0 . .
W2 C47 H47 120.2 . .
C44 C48 C47 108.0 . .
C44 C48 W2 73.4(3) . .
C47 C48 W2 72.0(3) . .
C44 C48 H48 126.0 . .
C47 C48 H48 126.0 . .
W2 C48 H48 120.3 . .
O51 C51 W3 177.6(9) . .
O52 C52 W3 177.4(10) . .
O53 C53 W3 177.4(10) . .
C55 C54 C58 108.0 . .
C55 C54 W3 72.6(3) . .
C58 C54 W3 72.5(3) . .
C55 C54 H54 126.0 . .
C58 C54 H54 126.0 . .
W3 C54 H54 120.7 . .
C54 C55 C56 108.0 . .
C54 C55 W3 73.0(3) . .
C56 C55 W3 72.3(3) . .
C54 C55 H55 126.0 . .
C56 C55 H55 126.0 . .
W3 C55 H55 120.5 . .
C57 C56 C55 108.0 . .
C57 C56 W3 72.6(3) . .
C55 C56 W3 73.1(3) . .
C57 C56 H56 126.0 . .
C55 C56 H56 126.0 . .
W3 C56 H56 120.1 . .
C56 C57 C58 108.0 . .
C56 C57 W3 72.7(3) . .
C58 C57 W3 73.1(3) . .
C56 C57 H57 126.0 . .
C58 C57 H57 126.0 . .
W3 C57 H57 120.0 . .
C57 C58 C54 108.0 . .
C57 C58 W3 72.4(3) . .
C54 C58 W3 73.0(3) . .
C57 C58 H58 126.0 . .
C54 C58 H58 126.0 . .
W3 C58 H58 120.4 . .
C4L C2L C3L 119.3(17) . .
C4L C2L C1L 121(2) . .
C3L C2L C1L 120(2) . .
C4L C2L H2L 120.4 . .
C3L C2L H2L 120.4 . .
C2L C1L H1L1 109.5 . .
C2L C1L H1L2 109.5 . .
H1L1 C1L H1L2 109.5 . .
C2L C1L H1L3 109.5 . .
H1L1 C1L H1L3 109.5 . .
H1L2 C1L H1L3 109.5 . .
C2L C3L C4L 119.8(17) . 2_766
C2L C3L H3L 120.1 . .
C4L C3L H3L 120.1 2_766 .
C2L C4L C3L 120.8(17) . 2_766
C2L C4L H4L 119.6 . .
C3L C4L H4L 119.6 2_766 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 C31 1.971(11) .
W1 C33 1.983(9) .
W1 C32 1.991(10) .
W1 C36 2.320(8) .
W1 C35 2.324(8) .
W1 C37 2.333(8) .
W1 C34 2.340(8) .
W1 C38 2.346(8) .
W1 Sn1 2.8557(7) .
W2 C43 1.978(11) .
W2 C41 1.993(12) .
W2 C42 2.000(12) .
W2 C47 2.321(7) .
W2 C48 2.325(7) .
W2 C46 2.347(7) .
W2 C44 2.354(7) .
W2 C45 2.367(7) .
W2 Sn1 2.8391(8) .
W3 C53 1.933(12) .
W3 C52 1.953(12) .
W3 C51 1.954(12) .
W3 C57 2.369(8) .
W3 C56 2.371(8) .
W3 C58 2.378(7) .
W3 C55 2.380(8) .
W3 C54 2.385(7) .
Sn1 C1 2.207(8) .
Sn1 O1 2.363(6) .
Sn1 O2 2.415(6) .
P1 O1 1.501(6) .
P1 O1' 1.557(7) .
P1 O1'' 1.567(7) .
P1 C2 1.769(9) .
O1' C11 1.473(11) .
O1'' C14 1.473(11) .
P2 O2 1.495(6) .
P2 O2' 1.563(7) .
P2 O2'' 1.566(7) .
P2 C6 1.784(9) .
O2' C24 1.459(12) .
O2'' C21 1.500(12) .
C1 C6 1.376(11) .
C1 C2 1.428(12) .
C2 C3 1.384(12) .
C3 C4 1.403(12) .
C3 H3 0.9300 .
C4 C5 1.403(13) .
C4 C7 1.547(12) .
C5 C6 1.386(12) .
C5 H5 0.9300 .
C7 C10 1.509(13) .
C7 C8 1.517(15) .
C7 C9 1.547(15) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.497(15) .
C11 C13 1.519(14) .
C11 H11 0.9800 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 C15 1.493(14) .
C14 C16 1.509(13) .
C14 H14 0.9800 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C21 C23 1.496(18) .
C21 C22 1.501(15) .
C21 H21 0.9800 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 C25 1.502(18) .
C24 C26 1.524(15) .
C24 H24 0.9800 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
O31 C31 1.162(12) .
O32 C32 1.143(11) .
O33 C33 1.154(11) .
C34 C35 1.400(6) .
C34 C38 1.400(6) .
C34 H34 0.9300 .
C35 C36 1.400(6) .
C35 H35 0.9300 .
C36 C37 1.400(6) .
C36 H36 0.9300 .
C37 C38 1.400(6) .
C37 H37 0.9300 .
C38 H38 0.9300 .
O41 C41 1.143(12) .
O42 C42 1.136(13) .
O43 C43 1.155(12) .
C44 C45 1.420(5) .
C44 C48 1.420(5) .
C44 H44 0.9300 .
C45 C46 1.420(5) .
C45 H45 0.9300 .
C46 C47 1.420(5) .
C46 H46 0.9300 .
C47 C48 1.421(5) .
C47 H47 0.9300 .
C48 H48 0.9300 .
O51 C51 1.177(13) .
O52 C52 1.158(13) .
O53 C53 1.185(13) .
C54 C55 1.411(6) .
C54 C58 1.411(6) .
C54 H54 0.9300 .
C55 C56 1.411(6) .
C55 H55 0.9300 .
C56 C57 1.411(6) .
C56 H56 0.9300 .
C57 C58 1.411(6) .
C57 H57 0.9300 .
C58 H58 0.9300 .
C2L C4L 1.38(2) .
C2L C3L 1.40(2) .
C2L C1L 1.49(4) .
C2L H2L 0.9300 .
C1L H1L1 0.9600 .
C1L H1L2 0.9600 .
C1L H1L3 0.9600 .
C3L C4L 1.41(2) 2_766
C3L H3L 0.9300 .
C4L C3L 1.41(2) 2_766
C4L H4L 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C43 W2 Sn1 C1 -115.0(4) .
C41 W2 Sn1 C1 5.3(4) .
C42 W2 Sn1 C1 -53.2(5) .
C47 W2 Sn1 C1 156.9(3) .
C48 W2 Sn1 C1 148.5(3) .
C46 W2 Sn1 C1 107.9(4) .
C44 W2 Sn1 C1 114.4(3) .
C45 W2 Sn1 C1 90.3(3) .
C43 W2 Sn1 O1 166.4(4) .
C41 W2 Sn1 O1 -73.2(4) .
C42 W2 Sn1 O1 -131.8(4) .
C47 W2 Sn1 O1 78.3(3) .
C48 W2 Sn1 O1 69.9(2) .
C46 W2 Sn1 O1 29.4(3) .
C44 W2 Sn1 O1 35.8(2) .
C45 W2 Sn1 O1 11.7(2) .
C43 W2 Sn1 O2 -34.8(4) .
C41 W2 Sn1 O2 85.5(4) .
C42 W2 Sn1 O2 26.9(4) .
C47 W2 Sn1 O2 -123.0(3) .
C48 W2 Sn1 O2 -131.3(2) .
C46 W2 Sn1 O2 -171.9(3) .
C44 W2 Sn1 O2 -165.4(2) .
C45 W2 Sn1 O2 170.5(2) .
C43 W2 Sn1 W1 65.1(3) .
C41 W2 Sn1 W1 -174.6(4) .
C42 W2 Sn1 W1 126.8(4) .
C47 W2 Sn1 W1 -23.1(2) .
C48 W2 Sn1 W1 -31.39(17) .
C46 W2 Sn1 W1 -72.0(3) .
C44 W2 Sn1 W1 -65.50(16) .
C45 W2 Sn1 W1 -89.60(17) .
C31 W1 Sn1 C1 -58.0(4) .
C33 W1 Sn1 C1 -119.0(4) .
C32 W1 Sn1 C1 -0.7(4) .
C36 W1 Sn1 C1 151.4(4) .
C35 W1 Sn1 C1 147.0(3) .
C37 W1 Sn1 C1 99.2(4) .
C34 W1 Sn1 C1 114.4(3) .
C38 W1 Sn1 C1 87.8(3) .
C31 W1 Sn1 O1 21.9(4) .
C33 W1 Sn1 O1 -39.1(3) .
C32 W1 Sn1 O1 79.2(3) .
C36 W1 Sn1 O1 -128.7(3) .
C35 W1 Sn1 O1 -133.1(2) .
C37 W1 Sn1 O1 179.1(4) .
C34 W1 Sn1 O1 -165.7(2) .
C38 W1 Sn1 O1 167.7(2) .
C31 W1 Sn1 O2 -133.4(4) .
C33 W1 Sn1 O2 165.5(3) .
C32 W1 Sn1 O2 -76.2(3) .
C36 W1 Sn1 O2 75.9(3) .
C35 W1 Sn1 O2 71.5(2) .
C37 W1 Sn1 O2 23.7(4) .
C34 W1 Sn1 O2 38.9(3) .
C38 W1 Sn1 O2 12.3(3) .
C31 W1 Sn1 W2 121.9(3) .
C33 W1 Sn1 W2 60.9(3) .
C32 W1 Sn1 W2 179.2(3) .
C36 W1 Sn1 W2 -28.7(3) .
C35 W1 Sn1 W2 -33.1(2) .
C37 W1 Sn1 W2 -80.9(3) .
C34 W1 Sn1 W2 -65.7(2) .
C38 W1 Sn1 W2 -92.3(2) .
O1' P1 O1 Sn1 123.4(4) .
O1'' P1 O1 Sn1 -117.6(4) .
C2 P1 O1 Sn1 -0.8(5) .
C1 Sn1 O1 P1 2.4(4) .
O2 Sn1 O1 P1 -6.7(7) .
W2 Sn1 O1 P1 118.6(3) .
W1 Sn1 O1 P1 -113.9(3) .
O1 P1 O1' C11 -34.7(8) .
O1'' P1 O1' C11 -161.3(7) .
C2 P1 O1' C11 87.6(7) .
O1 P1 O1'' C14 -70.6(8) .
O1' P1 O1'' C14 54.0(8) .
C2 P1 O1'' C14 170.4(7) .
O2' P2 O2 Sn1 -144.3(4) .
O2'' P2 O2 Sn1 96.4(4) .
C6 P2 O2 Sn1 -19.3(5) .
C1 Sn1 O2 P2 15.7(4) .
O1 Sn1 O2 P2 24.9(7) .
W2 Sn1 O2 P2 -99.1(4) .
W1 Sn1 O2 P2 133.3(4) .
O2 P2 O2' C24 33.5(10) .
O2'' P2 O2' C24 159.5(8) .
C6 P2 O2' C24 -89.9(9) .
O2 P2 O2'' C21 71.9(8) .
O2' P2 O2'' C21 -53.6(8) .
C6 P2 O2'' C21 -169.8(7) .
O1 Sn1 C1 C6 176.8(8) .
O2 Sn1 C1 C6 -7.3(7) .
W2 Sn1 C1 C6 88.3(7) .
W1 Sn1 C1 C6 -91.8(7) .
O1 Sn1 C1 C2 -4.0(7) .
O2 Sn1 C1 C2 171.9(7) .
W2 Sn1 C1 C2 -92.6(7) .
W1 Sn1 C1 C2 87.4(7) .
C6 C1 C2 C3 1.2(13) .
Sn1 C1 C2 C3 -178.0(7) .
C6 C1 C2 P1 -175.9(7) .
Sn1 C1 C2 P1 4.9(10) .
O1 P1 C2 C3 -179.6(7) .
O1' P1 C2 C3 55.1(9) .
O1'' P1 C2 C3 -54.9(9) .
O1 P1 C2 C1 -2.5(8) .
O1' P1 C2 C1 -127.8(7) .
O1'' P1 C2 C1 122.1(7) .
C1 C2 C3 C4 0.8(14) .
P1 C2 C3 C4 177.8(7) .
C2 C3 C4 C5 -2.2(13) .
C2 C3 C4 C7 177.1(9) .
C3 C4 C5 C6 1.6(13) .
C7 C4 C5 C6 -177.7(9) .
C2 C1 C6 C5 -1.8(13) .
Sn1 C1 C6 C5 177.3(7) .
C2 C1 C6 P2 179.7(7) .
Sn1 C1 C6 P2 -1.1(10) .
C4 C5 C6 C1 0.4(14) .
C4 C5 C6 P2 178.7(7) .
O2 P2 C6 C1 14.2(8) .
O2' P2 C6 C1 141.0(7) .
O2'' P2 C6 C1 -108.8(7) .
O2 P2 C6 C5 -164.2(8) .
O2' P2 C6 C5 -37.4(9) .
O2'' P2 C6 C5 72.8(9) .
C5 C4 C7 C10 -4.5(14) .
C3 C4 C7 C10 176.2(9) .
C5 C4 C7 C8 -126.3(10) .
C3 C4 C7 C8 54.3(12) .
C5 C4 C7 C9 114.7(10) .
C3 C4 C7 C9 -64.7(12) .
P1 O1' C11 C12 -129.6(8) .
P1 O1' C11 C13 108.1(8) .
P1 O1'' C14 C15 83.2(9) .
P1 O1'' C14 C16 -154.5(7) .
P2 O2'' C21 C23 -118.2(10) .
P2 O2'' C21 C22 119.8(10) .
P2 O2' C24 C25 90.6(11) .
P2 O2' C24 C26 -146.3(8) .
C33 W1 C31 O31 -111(22) .
C32 W1 C31 O31 134(22) .
C36 W1 C31 O31 -12(22) .
C35 W1 C31 O31 -23(22) .
C37 W1 C31 O31 22(22) .
C34 W1 C31 O31 22(22) .
C38 W1 C31 O31 45(22) .
Sn1 W1 C31 O31 -171(22) .
C31 W1 C32 O32 -72(11) .
C33 W1 C32 O32 -143(11) .
C36 W1 C32 O32 8(12) .
C35 W1 C32 O32 74(11) .
C37 W1 C32 O32 11(11) .
C34 W1 C32 O32 74(11) .
C38 W1 C32 O32 43(11) .
Sn1 W1 C32 O32 152(11) .
C31 W1 C33 O33 75(15) .
C32 W1 C33 O33 146(15) .
C36 W1 C33 O33 -18(15) .
C35 W1 C33 O33 -53(15) .
C37 W1 C33 O33 -1(15) .
C34 W1 C33 O33 -76(15) .
C38 W1 C33 O33 -48(15) .
Sn1 W1 C33 O33 -151(15) .
C31 W1 C34 C35 -79.0(7) .
C33 W1 C34 C35 42.6(4) .
C32 W1 C34 C35 -179.7(4) .
C36 W1 C34 C35 -37.52(11) .
C37 W1 C34 C35 -79.04(17) .
C38 W1 C34 C35 -116.18(16) .
Sn1 W1 C34 C35 111.8(3) .
C31 W1 C34 C38 37.1(7) .
C33 W1 C34 C38 158.8(4) .
C32 W1 C34 C38 -63.5(4) .
C36 W1 C34 C38 78.65(18) .
C35 W1 C34 C38 116.18(16) .
C37 W1 C34 C38 37.13(11) .
Sn1 W1 C34 C38 -132.1(3) .
C38 C34 C35 C36 0.0 .
W1 C34 C35 C36 64.4(3) .
C38 C34 C35 W1 -64.4(3) .
C31 W1 C35 C34 135.5(5) .
C33 W1 C35 C34 -145.5(4) .
C32 W1 C35 C34 0.5(7) .
C36 W1 C35 C34 115.82(15) .
C37 W1 C35 C34 78.36(17) .
C38 W1 C35 C34 37.10(11) .
Sn1 W1 C35 C34 -69.7(3) .
C31 W1 C35 C36 19.6(5) .
C33 W1 C35 C36 98.6(4) .
C32 W1 C35 C36 -115.3(7) .
C37 W1 C35 C36 -37.46(11) .
C34 W1 C35 C36 -115.82(15) .
C38 W1 C35 C36 -78.72(17) .
Sn1 W1 C35 C36 174.5(3) .
C34 C35 C36 C37 0.0 .
W1 C35 C36 C37 64.9(3) .
C34 C35 C36 W1 -64.9(3) .
C31 W1 C36 C37 79.7(4) .
C33 W1 C36 C37 157.8(4) .
C32 W1 C36 C37 5.5(7) .
C35 W1 C36 C37 -115.73(15) .
C34 W1 C36 C37 -78.38(17) .
C38 W1 C36 C37 -37.19(11) .
Sn1 W1 C36 C37 -123.3(4) .
C31 W1 C36 C35 -164.6(4) .
C33 W1 C36 C35 -86.5(4) .
C32 W1 C36 C35 121.2(7) .
C37 W1 C36 C35 115.73(15) .
C34 W1 C36 C35 37.35(11) .
C38 W1 C36 C35 78.54(17) .
Sn1 W1 C36 C35 -7.6(4) .
C35 C36 C37 C38 0.0 .
W1 C36 C37 C38 64.7(3) .
C35 C36 C37 W1 -64.7(3) .
C31 W1 C37 C38 142.9(4) .
C33 W1 C37 C38 -145.9(5) .
C32 W1 C37 C38 67.3(4) .
C36 W1 C37 C38 -116.02(16) .
C35 W1 C37 C38 -78.48(17) .
C34 W1 C37 C38 -37.08(11) .
Sn1 W1 C37 C38 -19.1(5) .
C31 W1 C37 C36 -101.1(4) .
C33 W1 C37 C36 -29.9(5) .
C32 W1 C37 C36 -176.7(4) .
C35 W1 C37 C36 37.54(11) .
C34 W1 C37 C36 78.95(17) .
C38 W1 C37 C36 116.02(16) .
Sn1 W1 C37 C36 96.9(5) .
C36 C37 C38 C34 0.0 .
W1 C37 C38 C34 64.0(3) .
C36 C37 C38 W1 -64.0(3) .
C35 C34 C38 C37 0.0 .
W1 C34 C38 C37 -63.8(3) .
C35 C34 C38 W1 63.8(3) .
C31 W1 C38 C37 -41.7(4) .
C33 W1 C38 C37 73.0(9) .
C32 W1 C38 C37 -119.8(4) .
C36 W1 C38 C37 37.41(11) .
C35 W1 C38 C37 79.02(17) .
C34 W1 C38 C37 116.30(16) .
Sn1 W1 C38 C37 167.9(3) .
C31 W1 C38 C34 -158.0(4) .
C33 W1 C38 C34 -43.3(9) .
C32 W1 C38 C34 123.9(4) .
C36 W1 C38 C34 -78.90(18) .
C35 W1 C38 C34 -37.28(11) .
C37 W1 C38 C34 -116.30(16) .
Sn1 W1 C38 C34 51.6(3) .
C43 W2 C41 O41 -155(13) .
C42 W2 C41 O41 -82(13) .
C47 W2 C41 O41 3(13) .
C48 W2 C41 O41 66(13) .
C46 W2 C41 O41 -1(13) .
C44 W2 C41 O41 61(13) .
C45 W2 C41 O41 29(13) .
Sn1 W2 C41 O41 141(13) .
C43 W2 C42 O42 -25(27) .
C41 W2 C42 O42 -141(27) .
C47 W2 C42 O42 73(27) .
C48 W2 C42 O42 66(27) .
C46 W2 C42 O42 106(27) .
C44 W2 C42 O42 117(27) .
C45 W2 C42 O42 132(27) .
Sn1 W2 C42 O42 -85(27) .
C41 W2 C43 O43 137(12) .
C42 W2 C43 O43 64(12) .
C47 W2 C43 O43 -31(12) .
C48 W2 C43 O43 -67(12) .
C46 W2 C43 O43 -11(12) .
C44 W2 C43 O43 -88(12) .
C45 W2 C43 O43 -53(12) .
Sn1 W2 C43 O43 -160(12) .
C43 W2 C44 C45 154.9(5) .
C41 W2 C44 C45 -68.2(4) .
C42 W2 C44 C45 25.0(7) .
C47 W2 C44 C45 78.68(15) .
C48 W2 C44 C45 116.43(14) .
C46 W2 C44 C45 36.98(9) .
Sn1 W2 C44 C45 -138.6(2) .
C43 W2 C44 C48 38.5(5) .
C41 W2 C44 C48 175.4(4) .
C42 W2 C44 C48 -91.5(7) .
C47 W2 C44 C48 -37.75(9) .
C46 W2 C44 C48 -79.45(15) .
C45 W2 C44 C48 -116.43(14) .
Sn1 W2 C44 C48 105.0(2) .
C48 C44 C45 C46 0.0 .
W2 C44 C45 C46 -63.1(3) .
C48 C44 C45 W2 63.1(3) .
C43 W2 C45 C44 -54.2(9) .
C41 W2 C45 C44 117.2(4) .
C42 W2 C45 C44 -164.6(4) .
C47 W2 C45 C44 -79.28(15) .
C48 W2 C45 C44 -37.34(10) .
C46 W2 C45 C44 -116.74(14) .
Sn1 W2 C45 C44 45.2(2) .
C43 W2 C45 C46 62.5(9) .
C41 W2 C45 C46 -126.0(4) .
C42 W2 C45 C46 -47.8(4) .
C47 W2 C45 C46 37.46(10) .
C48 W2 C45 C46 79.40(15) .
C44 W2 C45 C46 116.74(14) .
Sn1 W2 C45 C46 161.9(2) .
C44 C45 C46 C47 0.0 .
W2 C45 C46 C47 -63.2(3) .
C44 C45 C46 W2 63.2(3) .
C43 W2 C46 C47 -35.2(5) .
C41 W2 C46 C47 176.5(4) .
C42 W2 C46 C47 -107.7(4) .
C48 W2 C46 C47 37.76(9) .
C44 W2 C46 C47 79.36(15) .
C45 W2 C46 C47 116.29(14) .
Sn1 W2 C46 C47 86.9(4) .
C43 W2 C46 C45 -151.5(5) .
C41 W2 C46 C45 60.2(4) .
C42 W2 C46 C45 136.0(4) .
C47 W2 C46 C45 -116.29(14) .
C48 W2 C46 C45 -78.53(15) .
C44 W2 C46 C45 -36.93(9) .
Sn1 W2 C46 C45 -29.4(4) .
C45 C46 C47 C48 0.0 .
W2 C46 C47 C48 -64.5(3) .
C45 C46 C47 W2 64.5(3) .
C43 W2 C47 C46 153.2(4) .
C41 W2 C47 C46 -6.0(7) .
C42 W2 C47 C46 73.2(4) .
C48 W2 C47 C46 -115.72(13) .
C44 W2 C47 C46 -78.26(14) .
C45 W2 C47 C46 -37.07(9) .
Sn1 W2 C47 C46 -130.1(3) .
C43 W2 C47 C48 -91.1(4) .
C41 W2 C47 C48 109.8(7) .
C42 W2 C47 C48 -171.1(4) .
C46 W2 C47 C48 115.72(13) .
C44 W2 C47 C48 37.46(9) .
C45 W2 C47 C48 78.65(15) .
Sn1 W2 C47 C48 -14.3(3) .
C45 C44 C48 C47 0.0 .
W2 C44 C48 C47 64.2(3) .
C45 C44 C48 W2 -64.2(3) .
C46 C47 C48 C44 0.0 .
W2 C47 C48 C44 -65.1(3) .
C46 C47 C48 W2 65.1(3) .
C43 W2 C48 C44 -150.0(4) .
C41 W2 C48 C44 -7.1(6) .
C42 W2 C48 C44 127.7(5) .
C47 W2 C48 C44 115.80(13) .
C46 W2 C48 C44 78.24(14) .
C45 W2 C48 C44 36.99(9) .
Sn1 W2 C48 C44 -75.2(2) .
C43 W2 C48 C47 94.2(4) .
C41 W2 C48 C47 -122.9(6) .
C42 W2 C48 C47 11.9(5) .
C46 W2 C48 C47 -37.56(10) .
C44 W2 C48 C47 -115.80(13) .
C45 W2 C48 C47 -78.81(15) .
Sn1 W2 C48 C47 169.0(2) .
C53 W3 C51 O51 112(20) .
C52 W3 C51 O51 -162(20) .
C57 W3 C51 O51 -48(20) .
C56 W3 C51 O51 -14(20) .
C58 W3 C51 O51 -63(20) .
C55 W3 C51 O51 12(20) .
C54 W3 C51 O51 -7(21) .
C53 W3 C52 O52 -111(25) .
C51 W3 C52 O52 162(25) .
C57 W3 C52 O52 56(25) .
C56 W3 C52 O52 57(25) .
C58 W3 C52 O52 25(25) .
C55 W3 C52 O52 -9(25) .
C54 W3 C52 O52 -7(25) .
C52 W3 C53 O53 133(23) .
C51 W3 C53 O53 -136(23) .
C57 W3 C53 O53 -13(23) .
C56 W3 C53 O53 -38(23) .
C58 W3 C53 O53 39(23) .
C55 W3 C53 O53 -13(23) .
C54 W3 C53 O53 21(23) .
C53 W3 C54 C55 -86.1(4) .
C52 W3 C54 C55 -177.5(5) .
C51 W3 C54 C55 29.3(8) .
C57 W3 C54 C55 78.68(15) .
C56 W3 C54 C55 37.29(10) .
C58 W3 C54 C55 116.00(14) .
C53 W3 C54 C58 157.9(4) .
C52 W3 C54 C58 66.5(5) .
C51 W3 C54 C58 -86.7(9) .
C57 W3 C54 C58 -37.32(10) .
C56 W3 C54 C58 -78.72(16) .
C55 W3 C54 C58 -116.00(14) .
C58 C54 C55 C56 0.0 .
W3 C54 C55 C56 -64.3(3) .
C58 C54 C55 W3 64.3(3) .
C53 W3 C55 C54 101.3(4) .
C52 W3 C55 C54 4.2(8) .
C51 W3 C55 C54 -165.8(4) .
C57 W3 C55 C54 -78.48(16) .
C56 W3 C55 C54 -115.90(14) .
C58 W3 C55 C54 -37.16(10) .
C53 W3 C55 C56 -142.8(4) .
C52 W3 C55 C56 120.1(8) .
C51 W3 C55 C56 -50.0(4) .
C57 W3 C55 C56 37.42(10) .
C58 W3 C55 C56 78.73(16) .
C54 W3 C55 C56 115.90(14) .
C54 C55 C56 C57 0.0 .
W3 C55 C56 C57 -64.7(3) .
C54 C55 C56 W3 64.7(3) .
C53 W3 C56 C57 162.8(5) .
C52 W3 C56 C57 -1.8(7) .
C51 W3 C56 C57 -104.9(4) .
C58 W3 C56 C57 37.36(10) .
C55 W3 C56 C57 115.69(14) .
C54 W3 C56 C57 78.52(16) .
C53 W3 C56 C55 47.2(5) .
C52 W3 C56 C55 -117.4(7) .
C51 W3 C56 C55 139.4(4) .
C57 W3 C56 C55 -115.69(14) .
C58 W3 C56 C55 -78.33(16) .
C54 W3 C56 C55 -37.17(10) .
C55 C56 C57 C58 0.0 .
W3 C56 C57 C58 -65.0(3) .
C55 C56 C57 W3 65.0(3) .
C53 W3 C57 C56 -37.9(10) .
C52 W3 C57 C56 179.0(4) .
C51 W3 C57 C56 82.2(4) .
C58 W3 C57 C56 -115.66(14) .
C55 W3 C57 C56 -37.32(10) .
C54 W3 C57 C56 -78.47(15) .
C53 W3 C57 C58 77.8(10) .
C52 W3 C57 C58 -65.4(4) .
C51 W3 C57 C58 -162.1(4) .
C56 W3 C57 C58 115.66(14) .
C55 W3 C57 C58 78.33(16) .
C54 W3 C57 C58 37.19(10) .
C56 C57 C58 C54 0.0 .
W3 C57 C58 C54 -64.8(3) .
C56 C57 C58 W3 64.8(3) .
C55 C54 C58 C57 0.0 .
W3 C54 C58 C57 64.4(3) .
C55 C54 C58 W3 -64.4(3) .
C53 W3 C58 C57 -147.1(6) .
C52 W3 C58 C57 122.7(4) .
C51 W3 C58 C57 25.9(5) .
C56 W3 C58 C57 -37.42(10) .
C55 W3 C58 C57 -78.70(15) .
C54 W3 C58 C57 -115.85(14) .
C53 W3 C58 C54 -31.3(6) .
C52 W3 C58 C54 -121.4(4) .
C51 W3 C58 C54 141.8(5) .
C57 W3 C58 C54 115.85(14) .
C56 W3 C58 C54 78.43(16) .
C55 W3 C58 C54 37.15(10) .
C4L C2L C3L C4L 1(3) 2_766
C1L C2L C3L C4L -179.6(18) 2_766
C3L C2L C4L C3L -1(3) 2_766
C1L C2L C4L C3L 179.6(18) 2_766
