#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:09:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178771 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/25/4102514.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_4102514
loop_
_publ_author_name
'Sergey N. Semenov'
'Shiva F. Taghipourian'
'Olivier Blacque'
'Thomas Fox'
'Koushik Venkatesan'
'Heinz Berke'
_publ_section_title
;
 An Iron-Capped Metal-Organic Polyyne:
 {[Fe](C\\tbC)2[W]\\tbCC\\tbCC≡[W](C\\tbC)2[Fe]}
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7584
_journal_page_last               7585
_journal_paper_doi               10.1021/ja102570f
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C116 H98 P8 W2'
_chemical_formula_weight         2107.39
_chemical_name_systematic
;
[(μ-but-2-yn-1,4-diylidyne)bis(di{1,2-bis(diphenylphosphino)ethane}
(buta-1,3-diynyl)tungsten)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.530(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   36.6258(11)
_cell_length_b                   13.1143(4)
_cell_length_c                   20.2917(5)
_cell_measurement_reflns_used    7425
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      28.8352
_cell_measurement_theta_min      2.5811
_cell_volume                     9476.1(5)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
;
_computing_molecular_graphics
; ORTEP-3 for Windows, Version 2.01.
  Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
;
_computing_publication_material
; WinGX -- An integrated system of Windows programs for the solution,
 refinment and analysis of single crystal X-ray diffraction data,
 Version 1.80.00.
 Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
 SHELXL97. Program for crystal structure refinement.
 Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
 PLATON for Windows, Version 1.12.
 Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13. 
;
_computing_structure_refinement
; SHELXL97. Program for crystal structure refinement.
  Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_computing_structure_solution
; SHELXS97. Program for Crystal Structure solution.
  Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.  
;
_diffrn_ambient_temperature      183(2)
_diffrn_detector_area_resol_mean 10.4498
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
; Goniometer Xcalibur, detector: Ruby
Oxford Diffraction (2007). Oxford Diffraction Ltd.,
Xcalibur CCD system
;
_diffrn_measurement_method       'omega scans'
_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  0.0815
_diffrn_reflns_av_sigmaI/netI    0.1490
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            35043
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    2.612
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.796
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4248
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.545
_refine_diff_density_min         -0.812
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.752
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         8990
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.752
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0089P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0446
_refine_ls_wR_factor_ref         0.0494
_reflns_number_gt                5286
_reflns_number_total             8990
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja102570f_si_003.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4102514
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.55502(12) 0.2986(4) 0.29204(18) 0.0230(12) Uani 1 1 d .
C2 C 0.51733(11) 0.3016(3) 0.26360(18) 0.0229(12) Uani 1 1 d .
C3 C 0.66906(13) 0.2721(4) 0.32828(19) 0.0273(13) Uani 1 1 d .
C4 C 0.70085(15) 0.2621(4) 0.3359(2) 0.0313(14) Uani 1 1 d .
C5 C 0.73910(17) 0.2435(4) 0.3452(2) 0.0529(18) Uani 1 1 d .
C6 C 0.77152(17) 0.2256(6) 0.3532(3) 0.085(2) Uani 1 1 d .
H6 H 0.7970 0.2116 0.3595 0.102 Uiso 1 1 calc R
C7 C 0.64220(13) 0.3137(4) 0.4959(2) 0.0356(15) Uani 1 1 d .
H7A H 0.6231 0.3444 0.5155 0.043 Uiso 1 1 calc R
H7B H 0.6604 0.2810 0.5322 0.043 Uiso 1 1 calc R
C8 C 0.66161(13) 0.3965(4) 0.4651(2) 0.0348(14) Uani 1 1 d .
H8A H 0.6849 0.3704 0.4568 0.042 Uiso 1 1 calc R
H8B H 0.6676 0.4533 0.4964 0.042 Uiso 1 1 calc R
C9 C 0.58141(13) 0.1746(3) 0.4716(2) 0.0261(13) Uani 1 1 d .
C10 C 0.58978(14) 0.1304(4) 0.5362(2) 0.0371(14) Uani 1 1 d .
H10 H 0.6147 0.1200 0.5589 0.045 Uiso 1 1 calc R
C11 C 0.56115(16) 0.1020(4) 0.5664(2) 0.0436(15) Uani 1 1 d .
H11 H 0.5668 0.0732 0.6095 0.052 Uiso 1 1 calc R
C12 C 0.52447(15) 0.1164(4) 0.5325(2) 0.0411(15) Uani 1 1 d .
H12 H 0.5051 0.0953 0.5519 0.049 Uiso 1 1 calc R
C13 C 0.51640(14) 0.1617(4) 0.4705(2) 0.0416(15) Uani 1 1 d .
H13 H 0.4915 0.1728 0.4484 0.050 Uiso 1 1 calc R
C14 C 0.54415(13) 0.1910(4) 0.4400(2) 0.0363(15) Uani 1 1 d .
H14 H 0.5380 0.2223 0.3977 0.044 Uiso 1 1 calc R
C15 C 0.65162(15) 0.1058(4) 0.4528(2) 0.0314(14) Uani 1 1 d .
C16 C 0.63736(16) 0.0063(5) 0.4428(2) 0.0425(16) Uani 1 1 d .
H16 H 0.6115 -0.0039 0.4304 0.051 Uiso 1 1 calc R
C17 C 0.66153(19) -0.0777(5) 0.4514(2) 0.0569(18) Uani 1 1 d .
H17 H 0.6519 -0.1434 0.4442 0.068 Uiso 1 1 calc R
C18 C 0.69947(18) -0.0624(6) 0.4704(3) 0.062(2) Uani 1 1 d .
H18 H 0.7157 -0.1179 0.4768 0.074 Uiso 1 1 calc R
C19 C 0.71355(17) 0.0341(6) 0.4800(3) 0.059(2) Uani 1 1 d .
H19 H 0.7394 0.0435 0.4924 0.070 Uiso 1 1 calc R
C20 C 0.69028(15) 0.1181(5) 0.4718(2) 0.0438(16) Uani 1 1 d .
H20 H 0.7005 0.1831 0.4790 0.053 Uiso 1 1 calc R
C21 C 0.59709(14) 0.5191(4) 0.4160(2) 0.0295(13) Uani 1 1 d .
C22 C 0.56050(15) 0.4841(4) 0.4107(2) 0.0387(15) Uani 1 1 d .
H22 H 0.5536 0.4209 0.3908 0.046 Uiso 1 1 calc R
C23 C 0.53441(16) 0.5400(5) 0.4339(2) 0.0487(17) Uani 1 1 d .
H23 H 0.5103 0.5144 0.4303 0.058 Uiso 1 1 calc R
C24 C 0.54382(18) 0.6320(5) 0.4619(2) 0.0558(18) Uani 1 1 d .
H24 H 0.5261 0.6708 0.4769 0.067 Uiso 1 1 calc R
C25 C 0.58008(19) 0.6691(4) 0.4685(2) 0.0547(18) Uani 1 1 d .
H25 H 0.5866 0.7325 0.4884 0.066 Uiso 1 1 calc R
C26 C 0.60607(16) 0.6132(4) 0.4460(2) 0.0463(16) Uani 1 1 d .
H26 H 0.6302 0.6387 0.4510 0.056 Uiso 1 1 calc R
C27 C 0.65980(14) 0.5372(4) 0.3564(2) 0.0312(13) Uani 1 1 d .
C28 C 0.69864(16) 0.5307(4) 0.3696(2) 0.0458(15) Uani 1 1 d .
H28 H 0.7107 0.4755 0.3942 0.055 Uiso 1 1 calc R
C29 C 0.71975(16) 0.6035(5) 0.3474(3) 0.0586(18) Uani 1 1 d .
H29 H 0.7458 0.5979 0.3579 0.070 Uiso 1 1 calc R
C30 C 0.70292(17) 0.6839(4) 0.3100(3) 0.0502(17) Uani 1 1 d .
H30 H 0.7175 0.7330 0.2952 0.060 Uiso 1 1 calc R
C31 C 0.66519(16) 0.6926(4) 0.2941(2) 0.0480(16) Uani 1 1 d .
H31 H 0.6536 0.7464 0.2673 0.058 Uiso 1 1 calc R
C32 C 0.64386(15) 0.6204(4) 0.3181(2) 0.0377(14) Uani 1 1 d .
H32 H 0.6179 0.6281 0.3082 0.045 Uiso 1 1 calc R
C33 C 0.57072(13) 0.2672(4) 0.1433(2) 0.0332(14) Uani 1 1 d .
H33A H 0.5461 0.2986 0.1305 0.040 Uiso 1 1 calc R
H33B H 0.5801 0.2613 0.1026 0.040 Uiso 1 1 calc R
C34 C 0.56624(13) 0.1600(4) 0.1698(2) 0.0301(14) Uani 1 1 d .
H34A H 0.5698 0.1110 0.1361 0.036 Uiso 1 1 calc R
H34B H 0.5407 0.1524 0.1750 0.036 Uiso 1 1 calc R
C35 C 0.57941(13) 0.4774(4) 0.1788(2) 0.0266(13) Uani 1 1 d .
C36 C 0.55971(13) 0.5239(4) 0.2200(2) 0.0327(14) Uani 1 1 d .
H36 H 0.5575 0.4906 0.2594 0.039 Uiso 1 1 calc R
C37 C 0.54304(14) 0.6175(4) 0.2056(2) 0.0398(15) Uani 1 1 d .
H37 H 0.5296 0.6469 0.2343 0.048 Uiso 1 1 calc R
C38 C 0.54664(14) 0.6663(4) 0.1482(3) 0.0484(16) Uani 1 1 d .
H38 H 0.5363 0.7308 0.1386 0.058 Uiso 1 1 calc R
C39 C 0.56530(16) 0.6219(5) 0.1044(3) 0.0519(17) Uani 1 1 d .
H39 H 0.5671 0.6554 0.0648 0.062 Uiso 1 1 calc R
C40 C 0.58137(14) 0.5275(4) 0.1196(2) 0.0424(16) Uani 1 1 d .
H40 H 0.5938 0.4968 0.0897 0.051 Uiso 1 1 calc R
C41 C 0.64445(14) 0.3651(4) 0.1692(2) 0.0312(14) Uani 1 1 d .
C42 C 0.66782(15) 0.4466(5) 0.1873(2) 0.0528(18) Uani 1 1 d .
H42 H 0.6621 0.4961 0.2161 0.063 Uiso 1 1 calc R
C43 C 0.69969(16) 0.4562(5) 0.1633(3) 0.062(2) Uani 1 1 d .
H43 H 0.7152 0.5125 0.1758 0.075 Uiso 1 1 calc R
C44 C 0.70893(16) 0.3847(6) 0.1215(3) 0.062(2) Uani 1 1 d .
H44 H 0.7307 0.3918 0.1059 0.075 Uiso 1 1 calc R
C45 C 0.68645(17) 0.3040(6) 0.1030(3) 0.072(2) Uani 1 1 d .
H45 H 0.6925 0.2553 0.0739 0.086 Uiso 1 1 calc R
C46 C 0.65405(14) 0.2929(5) 0.1272(2) 0.0561(15) Uani 1 1 d .
H46 H 0.6388 0.2361 0.1147 0.067 Uiso 1 1 calc R
C47 C 0.63907(13) 0.0662(4) 0.2294(2) 0.0286(13) Uani 1 1 d .
C48 C 0.66805(14) 0.0376(4) 0.2824(2) 0.0372(14) Uani 1 1 d .
H48 H 0.6666 0.0524 0.3265 0.045 Uiso 1 1 calc R
C49 C 0.69902(15) -0.0124(4) 0.2716(3) 0.0491(17) Uani 1 1 d .
H49 H 0.7184 -0.0308 0.3081 0.059 Uiso 1 1 calc R
C50 C 0.70131(16) -0.0354(5) 0.2065(3) 0.0538(18) Uani 1 1 d .
H50 H 0.7220 -0.0707 0.1990 0.065 Uiso 1 1 calc R
C51 C 0.67354(16) -0.0065(4) 0.1536(3) 0.0494(17) Uani 1 1 d .
H51 H 0.6756 -0.0194 0.1095 0.059 Uiso 1 1 calc R
C52 C 0.64185(14) 0.0424(4) 0.1647(2) 0.0386(15) Uani 1 1 d .
H52 H 0.6223 0.0592 0.1281 0.046 Uiso 1 1 calc R
C53 C 0.57536(13) 0.0188(4) 0.2794(2) 0.0262(12) Uani 1 1 d .
C54 C 0.58783(15) -0.0805(4) 0.2801(2) 0.0424(15) Uani 1 1 d .
H54 H 0.6084 -0.0956 0.2623 0.051 Uiso 1 1 calc R
C55 C 0.57025(16) -0.1577(4) 0.3071(3) 0.0521(17) Uani 1 1 d .
H55 H 0.5795 -0.2238 0.3082 0.062 Uiso 1 1 calc R
C56 C 0.53953(16) -0.1383(5) 0.3321(2) 0.0479(16) Uani 1 1 d .
H56 H 0.5282 -0.1907 0.3508 0.057 Uiso 1 1 calc R
C57 C 0.52559(15) -0.0421(4) 0.3296(2) 0.0454(16) Uani 1 1 d .
H57 H 0.5040 -0.0290 0.3447 0.054 Uiso 1 1 calc R
C58 C 0.54347(15) 0.0360(4) 0.3045(2) 0.0389(14) Uani 1 1 d .
H58 H 0.5341 0.1019 0.3043 0.047 Uiso 1 1 calc R
P1 P 0.61994(3) 0.21517(13) 0.43330(5) 0.0287(3) Uani 1 1 d .
P2 P 0.63094(4) 0.44049(11) 0.38474(6) 0.0290(4) Uani 1 1 d .
P3 P 0.60226(4) 0.35299(11) 0.20310(6) 0.0259(3) Uani 1 1 d .
P4 P 0.59895(3) 0.12890(11) 0.25141(6) 0.0266(3) Uani 1 1 d .
W1 W 0.607520(6) 0.286493(17) 0.316695(9) 0.02187(6) 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 0.0033 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'
P P 0.1023 0.0942 '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
C2 C1 W1 170.3(3) .
C2 C2 C1 178.1(4) 2_655
C4 C3 W1 177.6(5) .
C3 C4 C5 176.5(6) .
C6 C5 C4 178.7(7) .
C5 C6 H6 180.0 .
C8 C7 P1 112.9(3) .
C8 C7 H7A 109.0 .
P1 C7 H7A 109.0 .
C8 C7 H7B 109.0 .
P1 C7 H7B 109.0 .
H7A C7 H7B 107.8 .
C7 C8 P2 110.1(3) .
C7 C8 H8A 109.6 .
P2 C8 H8A 109.6 .
C7 C8 H8B 109.6 .
P2 C8 H8B 109.6 .
H8A C8 H8B 108.2 .
C14 C9 C10 118.4(4) .
C14 C9 P1 122.0(3) .
C10 C9 P1 119.6(4) .
C11 C10 C9 120.2(5) .
C11 C10 H10 119.9 .
C9 C10 H10 119.9 .
C12 C11 C10 119.7(5) .
C12 C11 H11 120.1 .
C10 C11 H11 120.1 .
C13 C12 C11 120.0(5) .
C13 C12 H12 120.0 .
C11 C12 H12 120.0 .
C12 C13 C14 121.3(5) .
C12 C13 H13 119.4 .
C14 C13 H13 119.4 .
C13 C14 C9 120.4(4) .
C13 C14 H14 119.8 .
C9 C14 H14 119.8 .
C20 C15 C16 118.0(5) .
C20 C15 P1 121.6(5) .
C16 C15 P1 120.1(4) .
C17 C16 C15 120.8(6) .
C17 C16 H16 119.6 .
C15 C16 H16 119.6 .
C18 C17 C16 119.4(6) .
C18 C17 H17 120.3 .
C16 C17 H17 120.3 .
C19 C18 C17 120.1(7) .
C19 C18 H18 119.9 .
C17 C18 H18 119.9 .
C18 C19 C20 121.5(6) .
C18 C19 H19 119.3 .
C20 C19 H19 119.3 .
C19 C20 C15 120.2(6) .
C19 C20 H20 119.9 .
C15 C20 H20 119.9 .
C26 C21 C22 116.9(5) .
C26 C21 P2 122.9(4) .
C22 C21 P2 120.1(4) .
C23 C22 C21 122.0(5) .
C23 C22 H22 119.0 .
C21 C22 H22 119.0 .
C24 C23 C22 119.6(6) .
C24 C23 H23 120.2 .
C22 C23 H23 120.2 .
C23 C24 C25 120.0(6) .
C23 C24 H24 120.0 .
C25 C24 H24 120.0 .
C26 C25 C24 120.3(6) .
C26 C25 H25 119.8 .
C24 C25 H25 119.8 .
C25 C26 C21 121.1(6) .
C25 C26 H26 119.5 .
C21 C26 H26 119.5 .
C32 C27 C28 115.8(5) .
C32 C27 P2 121.6(4) .
C28 C27 P2 122.6(4) .
C29 C28 C27 121.7(6) .
C29 C28 H28 119.1 .
C27 C28 H28 119.1 .
C30 C29 C28 120.5(6) .
C30 C29 H29 119.8 .
C28 C29 H29 119.8 .
C31 C30 C29 120.3(6) .
C31 C30 H30 119.9 .
C29 C30 H30 119.9 .
C30 C31 C32 119.3(5) .
C30 C31 H31 120.4 .
C32 C31 H31 120.4 .
C31 C32 C27 122.4(5) .
C31 C32 H32 118.8 .
C27 C32 H32 118.8 .
C34 C33 P3 115.6(3) .
C34 C33 H33A 108.4 .
P3 C33 H33A 108.4 .
C34 C33 H33B 108.4 .
P3 C33 H33B 108.4 .
H33A C33 H33B 107.4 .
C33 C34 P4 114.7(3) .
C33 C34 H34A 108.6 .
P4 C34 H34A 108.6 .
C33 C34 H34B 108.6 .
P4 C34 H34B 108.6 .
H34A C34 H34B 107.6 .
C36 C35 C40 117.4(5) .
C36 C35 P3 120.1(4) .
C40 C35 P3 122.5(4) .
C35 C36 C37 122.7(5) .
C35 C36 H36 118.6 .
C37 C36 H36 118.6 .
C38 C37 C36 118.4(5) .
C38 C37 H37 120.8 .
C36 C37 H37 120.8 .
C37 C38 C39 121.2(5) .
C37 C38 H38 119.4 .
C39 C38 H38 119.4 .
C38 C39 C40 119.2(5) .
C38 C39 H39 120.4 .
C40 C39 H39 120.4 .
C39 C40 C35 121.0(5) .
C39 C40 H40 119.5 .
C35 C40 H40 119.5 .
C42 C41 C46 118.1(5) .
C42 C41 P3 119.7(4) .
C46 C41 P3 122.1(4) .
C41 C42 C43 120.6(6) .
C41 C42 H42 119.7 .
C43 C42 H42 119.7 .
C44 C43 C42 121.0(6) .
C44 C43 H43 119.5 .
C42 C43 H43 119.5 .
C45 C44 C43 119.6(6) .
C45 C44 H44 120.2 .
C43 C44 H44 120.2 .
C44 C45 C46 120.1(6) .
C44 C45 H45 120.0 .
C46 C45 H45 120.0 .
C41 C46 C45 120.6(6) .
C41 C46 H46 119.7 .
C45 C46 H46 119.7 .
C52 C47 C48 117.9(5) .
C52 C47 P4 125.4(4) .
C48 C47 P4 116.7(4) .
C49 C48 C47 121.4(5) .
C49 C48 H48 119.3 .
C47 C48 H48 119.3 .
C48 C49 C50 119.8(5) .
C48 C49 H49 120.1 .
C50 C49 H49 120.1 .
C51 C50 C49 119.9(6) .
C51 C50 H50 120.0 .
C49 C50 H50 120.0 .
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 119.6 .
C51 C52 H52 119.6 .
C54 C53 C58 116.8(5) .
C54 C53 P4 124.5(4) .
C58 C53 P4 118.6(4) .
C53 C54 C55 120.9(5) .
C53 C54 H54 119.6 .
C55 C54 H54 119.6 .
C56 C55 C54 120.9(5) .
C56 C55 H55 119.6 .
C54 C55 H55 119.6 .
C57 C56 C55 119.7(6) .
C57 C56 H56 120.2 .
C55 C56 H56 120.2 .
C56 C57 C58 119.9(5) .
C56 C57 H57 120.0 .
C58 C57 H57 120.0 .
C57 C58 C53 121.7(5) .
C57 C58 H58 119.2 .
C53 C58 H58 119.2 .
C15 P1 C9 101.1(2) .
C15 P1 C7 104.0(2) .
C9 P1 C7 99.7(2) .
C15 P1 W1 117.84(15) .
C9 P1 W1 121.54(15) .
C7 P1 W1 110.01(16) .
C27 P2 C21 101.9(2) .
C27 P2 C8 102.6(2) .
C21 P2 C8 101.1(2) .
C27 P2 W1 122.63(15) .
C21 P2 W1 118.38(17) .
C8 P2 W1 107.28(17) .
C41 P3 C35 101.1(2) .
C41 P3 C33 104.9(2) .
C35 P3 C33 100.8(2) .
C41 P3 W1 119.90(15) .
C35 P3 W1 120.04(16) .
C33 P3 W1 107.62(15) .
C47 P4 C53 100.6(2) .
C47 P4 C34 105.6(2) .
C53 P4 C34 101.4(2) .
C47 P4 W1 120.40(16) .
C53 P4 W1 120.58(16) .
C34 P4 W1 105.90(16) .
C1 W1 C3 170.89(15) .
C1 W1 P3 82.41(12) .
C3 W1 P3 89.08(11) .
C1 W1 P4 86.16(15) .
C3 W1 P4 89.09(13) .
P3 W1 P4 79.46(4) .
C1 W1 P2 106.17(15) .
C3 W1 P2 78.46(13) .
P3 W1 P2 100.14(4) .
P4 W1 P2 167.55(4) .
C1 W1 P1 103.50(12) .
C3 W1 P1 84.96(11) .
P3 W1 P1 174.01(4) .
P4 W1 P1 99.79(5) .
P2 W1 P1 79.30(5) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.366(5) .
C1 W1 1.877(4) .
C2 C2 1.260(8) 2_655
C3 C4 1.145(6) .
C3 W1 2.219(5) .
C4 C5 1.391(7) .
C5 C6 1.184(7) .
C6 H6 0.9300 .
C7 C8 1.512(6) .
C7 P1 1.861(4) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 P2 1.843(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C14 1.382(6) .
C9 C10 1.399(5) .
C9 P1 1.842(4) .
C10 C11 1.384(6) .
C10 H10 0.9300 .
C11 C12 1.372(6) .
C11 H11 0.9300 .
C12 C13 1.360(6) .
C12 H12 0.9300 .
C13 C14 1.362(6) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C20 1.387(6) .
C15 C16 1.402(7) .
C15 P1 1.829(5) .
C16 C17 1.399(7) .
C16 H16 0.9300 .
C17 C18 1.367(7) .
C17 H17 0.9300 .
C18 C19 1.363(8) .
C18 H18 0.9300 .
C19 C20 1.378(7) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C26 1.382(6) .
C21 C22 1.397(6) .
C21 P2 1.835(5) .
C22 C23 1.373(7) .
C22 H22 0.9300 .
C23 C24 1.343(7) .
C23 H23 0.9300 .
C24 C25 1.392(7) .
C24 H24 0.9300 .
C25 C26 1.362(7) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C32 1.386(6) .
C27 C28 1.387(6) .
C27 P2 1.828(5) .
C28 C29 1.369(7) .
C28 H28 0.9300 .
C29 C30 1.360(7) .
C29 H29 0.9300 .
C30 C31 1.348(6) .
C30 H30 0.9300 .
C31 C32 1.386(6) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.526(6) .
C33 P3 1.849(4) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 P4 1.849(4) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.369(6) .
C35 C40 1.385(6) .
C35 P3 1.848(5) .
C36 C37 1.371(6) .
C36 H36 0.9300 .
C37 C38 1.362(6) .
C37 H37 0.9300 .
C38 C39 1.371(6) .
C38 H38 0.9300 .
C39 C40 1.375(7) .
C39 H39 0.9300 .
C40 H40 0.9300 .
C41 C42 1.365(7) .
C41 C46 1.374(7) .
C41 P3 1.839(5) .
C42 C43 1.372(7) .
C42 H42 0.9300 .
C43 C44 1.359(7) .
C43 H43 0.9300 .
C44 C45 1.340(8) .
C44 H44 0.9300 .
C45 C46 1.394(7) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C47 C52 1.374(6) .
C47 C48 1.375(6) .
C47 P4 1.829(5) .
C48 C49 1.371(6) .
C48 H48 0.9300 .
C49 C50 1.376(6) .
C49 H49 0.9300 .
C50 C51 1.349(7) .
C50 H50 0.9300 .
C51 C52 1.390(7) .
C51 H51 0.9300 .
C52 H52 0.9300 .
C53 C54 1.378(6) .
C53 C58 1.398(6) .
C53 P4 1.839(5) .
C54 C55 1.379(7) .
C54 H54 0.9300 .
C55 C56 1.362(7) .
C55 H55 0.9300 .
C56 C57 1.357(7) .
C56 H56 0.9300 .
C57 C58 1.375(7) .
C57 H57 0.9300 .
C58 H58 0.9300 .
P1 W1 2.4853(11) .
P2 W1 2.4833(13) .
P3 W1 2.4297(12) .
P4 W1 2.4352(13) .
