# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Compound_5
_database_code_depnum_ccdc_archive 'CCDC 1557987'
_audit_update_record             
;
2018-02-02 deposited with the CCDC.
2018-02-13 downloaded from the CCDC.
;
_audit_creation_date             2016-10-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2013-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C32 H59 Cl3 P2 W'
_chemical_formula_sum            'C32 H59 Cl3 P2 W'
_chemical_formula_weight         795.93
_chemical_melting_point          ?
_chemical_oxdiff_formula         C33H58Cl4O2P2SiW
_chemical_oxdiff_usercomment     'small triangular plate'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.7156(4)
_cell_length_b                   23.4584(6)
_cell_length_c                   23.8845(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8245.0(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    10945
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      71.7440
_cell_measurement_theta_min      3.6890
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.830
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3248
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 12 -9 0.0354
3 -7 12 0.0272
-3 -8 -12 0.0272
4 2 14 0.0298
1 15 4 0.0439
-9 1 2 0.0233
9 -1 -2 0.0072

_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.076
_exptl_crystal_size_min          0.031
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.9985 11.9631 -8.9968 0.1548 0.0374 0.9857
2.9968 -6.9645 11.9992 0.2345 -0.0581 -0.9206
-2.9948 -8.0121 -12.0038 -0.9480 0.1229 0.2467
3.9948 2.0262 14.0032 0.7765 -0.0657 -0.6331
0.9967 14.9847 4.0051 0.9026 -0.0942 0.4719
-8.9985 0.9912 1.9821 -0.2239 -0.8935 0.2455
8.9985 -0.9912 -1.9821 0.2239 0.8935 -0.2455

_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            44726
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.032
_diffrn_reflns_theta_min         3.701
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1297
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -103.00  -9.00   1.00   22.50    --  -36.03 -77.00-120.00   94
  2  ω    -65.00  32.00   1.00   22.50    --  -36.03  19.00 120.00   97
  3  ω   -105.00  -7.00   1.00   22.50    --  -36.03 -19.00  90.00   98
  4  ω      1.00  75.00   1.00   22.50    --   36.03 -99.00   0.00   74
  5  ω     32.00  88.00   1.00   22.50    --   36.03-125.00-180.00   56
  6  ω     39.00 125.00   1.00   87.50    --  107.33 -45.00-120.00   86
  7  ω     39.00 121.00   1.00   87.50    --  107.33 -45.00 -30.00   82
  8  ω     37.00 115.00   1.00   87.50    --  107.33-111.00 120.00   78
  9  ω     91.00 156.00   1.00   87.50    --  107.33  45.00-150.00   65
 10  ω     39.00 124.00   1.00   87.50    --  107.33 -45.00  60.00   85
 11  ω     98.00 172.00   1.00   87.50    --  107.33  77.00  30.00   74
 12  ω     59.00 134.00   1.00   87.50    --  107.33 -77.00 120.00   75
 13  ω     54.00 110.00   1.00   87.50    --  107.33-111.00 -60.00   56
 14  ω     48.00 109.00   1.00   87.50    --  107.33 -95.00   0.00   61
 15  ω     50.00 164.00   1.00   87.50    --  107.33   0.00-180.00  114
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0384072000
_diffrn_orient_matrix_UB_12      0.0476325000
_diffrn_orient_matrix_UB_13      0.0376008000
_diffrn_orient_matrix_UB_21      0.0921366000
_diffrn_orient_matrix_UB_22      -0.0043050000
_diffrn_orient_matrix_UB_23      -0.0303511000
_diffrn_orient_matrix_UB_31      -0.0317240000
_diffrn_orient_matrix_UB_32      0.0450067000
_diffrn_orient_matrix_UB_33      -0.0426737000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5937
_reflns_number_total             8039
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.563
_refine_diff_density_min         -1.144
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         8039
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0525
_refine_ls_restrained_S_all      1.079
_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)+(0.0513P)²+31.5706P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1224
_refine_ls_wR_factor_ref         0.1335
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C19) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C124) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C24) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C22)
\\sim Ueq, Uanis(C23) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C7) \\sim Ueq, Uanis(C8) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C108) \\sim Ueq, Uanis(C107) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C27) = Uanis(C31) = Uanis(C30) = Uanis(C29) = Uanis(C32)
Uanis(C129) = Uanis(C130) = Uanis(C132) = Uanis(C131) = Uanis(C127)
Uanis(C18) = Uanis(C19) = Uanis(C20) = Uanis(C15) = Uanis(C16) = Uanis(C17)
Uanis(C115) = Uanis(C116) = Uanis(C117) = Uanis(C118) = Uanis(C119) =
Uanis(C120)
Uanis(C121) = Uanis(C126) = Uanis(C125) = Uanis(C3BA) = Uanis(C123) =
Uanis(C122)
Uanis(C21) = Uanis(C22) = Uanis(C23) = Uanis(C3BA) = Uanis(C26)
3. Others
 Sof(C127)=Sof(H127)=Sof(C129)=Sof(H12C)=Sof(H12D)=Sof(C130)=Sof(H13C)=
 Sof(H13D)=Sof(C131)=Sof(H13E)=Sof(H13F)=Sof(C132)=Sof(H13G)=Sof(H13H)=
 Sof(H28C)=Sof(H28D)=1-FVAR(1)
 Sof(C27)=Sof(H27)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(C30)=Sof(H30A)=Sof(H30B)=
 Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H28A)=Sof(H28B)=
 FVAR(1)
 Sof(C15)=Sof(H15)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(C19)=Sof(H19A)=Sof(H19B)=
 Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(C16)=Sof(H16A)=
 Sof(H16B)=1-FVAR(2)
 Sof(C115)=Sof(H115)=Sof(C117)=Sof(H11C)=Sof(H11D)=Sof(C120)=Sof(H12E)=
 Sof(H12F)=Sof(C116)=Sof(H11E)=Sof(H11F)=Sof(C119)=Sof(H11G)=Sof(H11H)=
 Sof(C118)=Sof(H11I)=Sof(H11J)=FVAR(2)
 Sof(C21)=Sof(H21)=Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(C26)=Sof(H26A)=Sof(H26B)=
 Sof(C124)=Sof(H12O)=Sof(H12P)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(C23)=Sof(H23A)=
 Sof(H23B)=1-FVAR(3)
 Sof(C121)=Sof(H121)=Sof(C122)=Sof(H12G)=Sof(H12H)=Sof(C3BA)=Sof(H3BA)=
 Sof(H3BB)=Sof(C126)=Sof(H12I)=Sof(H12J)=Sof(C123)=Sof(H12K)=Sof(H12L)=
 Sof(C125)=Sof(H12M)=Sof(H12N)=FVAR(3)
 Sof(C107)=Sof(H10C)=Sof(H10D)=Sof(C108)=Sof(H10E)=Sof(H10F)=1-FVAR(4)
 Sof(C8)=Sof(H8A)=Sof(H8B)=Sof(C7)=Sof(H7A)=Sof(H7B)=FVAR(4)
4.a Ternary CH refined with riding coordinates:
 C9(H9), C27(H27), C127(H127), C115(H115), C15(H15), C121(H121), C21(H21)
4.b Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C10(H10A,H10B), C2(H2A,H2B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B), C8(H8A,H8B), C7(H7A,H7B), C31(H31A,H31B), C30(H30A,H30B),
 C29(H29A,H29B), C32(H32A,H32B), C129(H12C,H12D), C130(H13C,H13D), C131(H13E,
 H13F), C132(H13G,H13H), C117(H11C,H11D), C120(H12E,H12F), C116(H11E,H11F),
 C119(H11G,H11H), C118(H11I,H11J), C20(H20A,H20B), C19(H19A,H19B), C18(H18A,
 H18B), C17(H17A,H17B), C16(H16A,H16B), C122(H12G,H12H), C3BA(H3BA,H3BB),
 C126(H12I,H12J), C123(H12K,H12L), C125(H12M,H12N), C22(H22A,H22B), C26(H26A,
 H26B), C124(H12O,H12P), C24(H24A,H24B), C23(H23A,H23B), C28(H28A,H28B),
 C28(H28C,H28D), C107(H10C,H10D), C108(H10E,H10F)
4.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.69545(2) 0.51362(2) 0.73886(2) 0.03876(10) Uani 1 1 d . . . . .
P1 P 0.59796(11) 0.51786(7) 0.82746(7) 0.0423(4) Uani 1 1 d . . . . .
P2 P 0.60795(12) 0.41927(7) 0.73402(7) 0.0450(4) Uani 1 1 d . . . . .
Cl1 Cl 0.81302(12) 0.46059(9) 0.79928(9) 0.0618(5) Uani 1 1 d . . . . .
Cl2 Cl 0.77421(14) 0.59461(8) 0.76863(9) 0.0675(5) Uani 1 1 d . . . . .
Cl3 Cl 0.77966(15) 0.48121(9) 0.66198(9) 0.0699(5) Uani 1 1 d . . . . .
C9 C 0.5227(5) 0.5796(3) 0.8313(3) 0.0537(18) Uani 1 1 d . . . . .
H9 H 0.4781 0.5726 0.8016 0.064 Uiso 1 1 calc R . . . .
C1 C 0.6036(4) 0.5470(3) 0.7028(3) 0.0454(15) Uani 1 1 d . . . . .
C14 C 0.4649(5) 0.5833(3) 0.8846(3) 0.0560(18) Uani 1 1 d . . . . .
H14A H 0.5038 0.5917 0.9163 0.067 Uiso 1 1 calc R . . . .
H14B H 0.4360 0.5467 0.8913 0.067 Uiso 1 1 calc R . . . .
C10 C 0.5616(6) 0.6355(4) 0.8167(4) 0.075(3) Uani 1 1 d . . . . .
H10A H 0.5939 0.6324 0.7814 0.090 Uiso 1 1 calc R . . . .
H10B H 0.6051 0.6465 0.8452 0.090 Uiso 1 1 calc R . . . .
C2 C 0.5270(7) 0.5742(5) 0.6729(5) 0.094(3) Uani 1 1 d . . . . .
H2A H 0.4881 0.5927 0.7002 0.113 Uiso 1 1 calc R . . . .
H2B H 0.4915 0.5447 0.6547 0.113 Uiso 1 1 calc R . . . .
C11 C 0.4885(7) 0.6822(4) 0.8116(4) 0.078(3) Uani 1 1 d . . . . .
H11A H 0.5175 0.7186 0.8047 0.094 Uiso 1 1 calc R . . . .
H11B H 0.4493 0.6738 0.7800 0.094 Uiso 1 1 calc R . . . .
C12 C 0.4317(7) 0.6859(4) 0.8643(4) 0.080(3) Uani 1 1 d . . . . .
H12A H 0.4695 0.6993 0.8949 0.096 Uiso 1 1 calc R . . . .
H12B H 0.3833 0.7135 0.8588 0.096 Uiso 1 1 calc R . . . .
C13 C 0.3915(6) 0.6298(4) 0.8794(4) 0.077(3) Uani 1 1 d . . . . .
H13A H 0.3479 0.6188 0.8510 0.093 Uiso 1 1 calc R . . . .
H13B H 0.3594 0.6332 0.9147 0.093 Uiso 1 1 calc R . . . .
C4 C 0.6169(9) 0.5929(5) 0.5860(4) 0.111(4) Uani 1 1 d . . . . .
H4A H 0.6405 0.6221 0.5618 0.166 Uiso 1 1 calc GR . . . .
H4B H 0.5835 0.5657 0.5641 0.166 Uiso 1 1 calc GR . . . .
H4C H 0.6662 0.5741 0.6047 0.166 Uiso 1 1 calc GR . . . .
C5 C 0.6023(12) 0.6673(5) 0.6580(6) 0.144(6) Uani 1 1 d . . . . .
H5A H 0.6443 0.6521 0.6849 0.217 Uiso 1 1 calc GR . . . .
H5B H 0.5579 0.6903 0.6768 0.217 Uiso 1 1 calc GR . . . .
H5C H 0.6346 0.6902 0.6313 0.217 Uiso 1 1 calc GR . . . .
C3 C 0.5556(10) 0.6191(6) 0.6281(5) 0.111(4) Uani 1 1 d . . . . .
C6 C 0.4656(11) 0.6385(9) 0.5990(6) 0.203(11) Uani 1 1 d . . . . .
H6A H 0.4798 0.6637 0.5685 0.304 Uiso 1 1 calc GR . . . .
H6B H 0.4280 0.6582 0.6256 0.304 Uiso 1 1 calc GR . . . .
H6C H 0.4338 0.6058 0.5850 0.304 Uiso 1 1 calc GR . . . .
C8 C 0.5028(8) 0.4317(5) 0.7770(5) 0.054(4) Uani 0.68(2) 1 d . U P A 1
H8A H 0.4634 0.4586 0.7580 0.065 Uiso 0.68(2) 1 calc R . P A 1
H8B H 0.4699 0.3962 0.7814 0.065 Uiso 0.68(2) 1 calc R . P A 1
C7 C 0.5277(9) 0.4538(5) 0.8314(7) 0.057(4) Uani 0.68(2) 1 d . U P A 1
H7A H 0.5606 0.4246 0.8518 0.068 Uiso 0.68(2) 1 calc R . P A 1
H7B H 0.4729 0.4625 0.8522 0.068 Uiso 0.68(2) 1 calc R . P A 1
C27 C 0.5466(14) 0.4063(10) 0.6722(8) 0.063(3) Uani 0.562(16) 1 d . . P A 1
H27 H 0.4954 0.4328 0.6750 0.076 Uiso 0.562(16) 1 calc R . P A 1
C31 C 0.5093(13) 0.4255(10) 0.5685(9) 0.063(3) Uani 0.562(16) 1 d . . P A 1
H31A H 0.4596 0.4498 0.5804 0.076 Uiso 0.562(16) 1 calc R . P A 1
H31B H 0.5331 0.4393 0.5332 0.076 Uiso 0.562(16) 1 calc R . P A 1
C30 C 0.4778(12) 0.3592(8) 0.5641(7) 0.063(3) Uani 0.562(16) 1 d . . P A 1
H30A H 0.4359 0.3541 0.5332 0.076 Uiso 0.562(16) 1 calc R . P A 1
H30B H 0.5301 0.3348 0.5581 0.076 Uiso 0.562(16) 1 calc R . P A 1
C29 C 0.4317(11) 0.3443(8) 0.6192(6) 0.063(3) Uani 0.562(16) 1 d . . P A 1
H29A H 0.3822 0.3706 0.6263 0.076 Uiso 0.562(16) 1 calc R . P A 1
H29B H 0.4067 0.3061 0.6173 0.076 Uiso 0.562(16) 1 calc R . P A 1
C32 C 0.5896(11) 0.4216(7) 0.6169(6) 0.063(3) Uani 0.562(16) 1 d . . P A 1
H32A H 0.6339 0.3929 0.6065 0.076 Uiso 0.562(16) 1 calc R . P A 1
H32B H 0.6205 0.4580 0.6199 0.076 Uiso 0.562(16) 1 calc R . P A 1
C127 C 0.5672(18) 0.3982(12) 0.6615(10) 0.063(3) Uani 0.438(16) 1 d . . P A 2
H127 H 0.6208 0.3829 0.6423 0.076 Uiso 0.438(16) 1 calc R . P A 2
C129 C 0.4761(16) 0.3267(9) 0.6041(8) 0.063(3) Uani 0.438(16) 1 d . . P A 2
H12C H 0.5302 0.3112 0.5867 0.076 Uiso 0.438(16) 1 calc R . P A 2
H12D H 0.4308 0.2967 0.6058 0.076 Uiso 0.438(16) 1 calc R . P A 2
C130 C 0.4397(16) 0.3764(10) 0.5685(8) 0.063(3) Uani 0.438(16) 1 d . . P A 2
H13C H 0.3912 0.3968 0.5874 0.076 Uiso 0.438(16) 1 calc R . P A 2
H13D H 0.4186 0.3636 0.5321 0.076 Uiso 0.438(16) 1 calc R . P A 2
C131 C 0.5308(18) 0.4143(12) 0.5636(11) 0.063(3) Uani 0.438(16) 1 d . . P A 2
H13E H 0.5264 0.4418 0.5335 0.076 Uiso 0.438(16) 1 calc R . P A 2
H13F H 0.5840 0.3906 0.5579 0.076 Uiso 0.438(16) 1 calc R . P A 2
C132 C 0.5336(15) 0.4459(9) 0.6252(7) 0.063(3) Uani 0.438(16) 1 d . . P A 2
H13G H 0.5753 0.4779 0.6253 0.076 Uiso 0.438(16) 1 calc R . P A 2
H13H H 0.4738 0.4587 0.6366 0.076 Uiso 0.438(16) 1 calc R . P A 2
C115 C 0.6635(17) 0.5103(11) 0.8970(9) 0.090(3) Uani 0.636(13) 1 d . . P A 1
H115 H 0.7104 0.4820 0.8886 0.108 Uiso 0.636(13) 1 calc R . P A 1
C117 C 0.6951(16) 0.4709(8) 0.9919(7) 0.090(3) Uani 0.636(13) 1 d . . P A 1
H11C H 0.6669 0.4550 1.0252 0.108 Uiso 0.636(13) 1 calc R . P A 1
H11D H 0.7382 0.4436 0.9769 0.108 Uiso 0.636(13) 1 calc R . P A 1
C120 C 0.7188(15) 0.5658(8) 0.9104(8) 0.090(3) Uani 0.636(13) 1 d . . P A 1
H12E H 0.7566 0.5757 0.8785 0.108 Uiso 0.636(13) 1 calc R . P A 1
H12F H 0.6773 0.5972 0.9172 0.108 Uiso 0.636(13) 1 calc R . P A 1
C116 C 0.6197(13) 0.4882(8) 0.9457(7) 0.090(3) Uani 0.636(13) 1 d . . P A 1
H11E H 0.5839 0.4550 0.9357 0.108 Uiso 0.636(13) 1 calc R . P A 1
H11F H 0.5791 0.5168 0.9611 0.108 Uiso 0.636(13) 1 calc R . P A 1
C119 C 0.7769(12) 0.5567(8) 0.9605(6) 0.090(3) Uani 0.636(13) 1 d . . P A 1
H11G H 0.8294 0.5349 0.9486 0.108 Uiso 0.636(13) 1 calc R . P A 1
H11H H 0.7989 0.5937 0.9724 0.108 Uiso 0.636(13) 1 calc R . P A 1
C118 C 0.7431(13) 0.5311(8) 1.0051(6) 0.090(3) Uani 0.636(13) 1 d . . P A 1
H11I H 0.6989 0.5562 1.0224 0.108 Uiso 0.636(13) 1 calc R . P A 1
H11J H 0.7917 0.5249 1.0318 0.108 Uiso 0.636(13) 1 calc R . P A 1
C15 C 0.644(2) 0.4982(17) 0.8895(14) 0.079(4) Uani 0.364(13) 1 d . . P A 2
H15 H 0.6873 0.4682 0.8791 0.095 Uiso 0.364(13) 1 calc R . P A 2
C20 C 0.703(2) 0.5432(15) 0.9150(13) 0.079(4) Uani 0.364(13) 1 d . . P A 2
H20A H 0.6677 0.5731 0.9324 0.095 Uiso 0.364(13) 1 calc R . P A 2
H20B H 0.7440 0.5599 0.8876 0.095 Uiso 0.364(13) 1 calc R . P A 2
C19 C 0.7629(19) 0.5036(14) 0.9647(11) 0.079(4) Uani 0.364(13) 1 d . U P A 2
H19A H 0.7881 0.4691 0.9486 0.095 Uiso 0.364(13) 1 calc R . P A 2
H19B H 0.8113 0.5258 0.9817 0.095 Uiso 0.364(13) 1 calc R . P A 2
C18 C 0.689(2) 0.4908(15) 1.0058(12) 0.079(4) Uani 0.364(13) 1 d . . P A 2
H18A H 0.6511 0.5240 1.0119 0.095 Uiso 0.364(13) 1 calc R . P A 2
H18B H 0.7143 0.4787 1.0414 0.095 Uiso 0.364(13) 1 calc R . P A 2
C17 C 0.6315(18) 0.4402(13) 0.9776(10) 0.079(4) Uani 0.364(13) 1 d . . P A 2
H17A H 0.6719 0.4111 0.9631 0.095 Uiso 0.364(13) 1 calc R . P A 2
H17B H 0.5915 0.4228 1.0051 0.095 Uiso 0.364(13) 1 calc R . P A 2
C16 C 0.5756(19) 0.4668(14) 0.9298(11) 0.079(4) Uani 0.364(13) 1 d . . P A 2
H16A H 0.5318 0.4937 0.9447 0.095 Uiso 0.364(13) 1 calc R . P A 2
H16B H 0.5430 0.4374 0.9095 0.095 Uiso 0.364(13) 1 calc R . P A 2
C121 C 0.6576(13) 0.3588(8) 0.7669(9) 0.0746(18) Uani 0.560(9) 1 d . . P A 1
H121 H 0.6913 0.3751 0.7985 0.090 Uiso 0.560(9) 1 calc R . P A 1
C122 C 0.7308(13) 0.3355(7) 0.7293(9) 0.0746(18) Uani 0.560(9) 1 d . . P A 1
H12G H 0.7695 0.3663 0.7165 0.090 Uiso 0.560(9) 1 calc R . P A 1
H12H H 0.7034 0.3176 0.6968 0.090 Uiso 0.560(9) 1 calc R . P A 1
C3BA C 0.7399(14) 0.2511(8) 0.7811(10) 0.0746(18) Uani 0.560(9) 1 d . . P A 1
H3BA H 0.7790 0.2241 0.8003 0.090 Uiso 0.560(9) 1 calc R . P A 1
H3BB H 0.7115 0.2312 0.7501 0.090 Uiso 0.560(9) 1 calc R . P A 1
C126 C 0.5970(12) 0.3147(7) 0.7937(8) 0.0746(18) Uani 0.560(9) 1 d . . P A 1
H12I H 0.5623 0.2947 0.7653 0.090 Uiso 0.560(9) 1 calc R . P A 1
H12J H 0.5549 0.3327 0.8195 0.090 Uiso 0.560(9) 1 calc R . P A 1
C123 C 0.7883(11) 0.2912(7) 0.7618(8) 0.0746(18) Uani 0.560(9) 1 d . . P A 1
H12K H 0.8341 0.2754 0.7370 0.090 Uiso 0.560(9) 1 calc R . P A 1
H12L H 0.8194 0.3100 0.7925 0.090 Uiso 0.560(9) 1 calc R . P A 1
C125 C 0.6589(12) 0.2728(7) 0.8253(8) 0.0746(18) Uani 0.560(9) 1 d . . P A 1
H12M H 0.6239 0.2404 0.8385 0.090 Uiso 0.560(9) 1 calc R . P A 1
H12N H 0.6861 0.2915 0.8575 0.090 Uiso 0.560(9) 1 calc R . P A 1
C21 C 0.6829(17) 0.3556(11) 0.7497(12) 0.0746(18) Uani 0.440(9) 1 d . U P A 2
H21 H 0.7252 0.3692 0.7785 0.090 Uiso 0.440(9) 1 calc R . P A 2
C22 C 0.7464(16) 0.3388(9) 0.6978(11) 0.0746(18) Uani 0.440(9) 1 d . U P A 2
H22A H 0.7089 0.3236 0.6679 0.090 Uiso 0.440(9) 1 calc R . P A 2
H22B H 0.7764 0.3727 0.6838 0.090 Uiso 0.440(9) 1 calc R . P A 2
C26 C 0.6467(16) 0.3013(9) 0.7723(10) 0.0746(18) Uani 0.440(9) 1 d . U P A 2
H26A H 0.6142 0.2827 0.7420 0.090 Uiso 0.440(9) 1 calc R . P A 2
H26B H 0.6018 0.3112 0.8004 0.090 Uiso 0.440(9) 1 calc R . P A 2
C124 C 0.7121(18) 0.2541(12) 0.7998(11) 0.085(8) Uani 0.440(9) 1 d . U P A 2
H12O H 0.6796 0.2199 0.8110 0.101 Uiso 0.440(9) 1 calc R . P A 2
H12P H 0.7472 0.2688 0.8310 0.101 Uiso 0.440(9) 1 calc R . P A 2
C24 C 0.777(2) 0.2441(13) 0.7397(14) 0.108(9) Uani 0.440(9) 1 d . U P A 2
H24A H 0.8263 0.2181 0.7488 0.129 Uiso 0.440(9) 1 calc R . P A 2
H24B H 0.7395 0.2254 0.7119 0.129 Uiso 0.440(9) 1 calc R . P A 2
C23 C 0.8173(14) 0.2951(8) 0.7137(11) 0.0746(18) Uani 0.440(9) 1 d . U P A 2
H23A H 0.8507 0.2839 0.6805 0.090 Uiso 0.440(9) 1 calc R . P A 2
H23B H 0.8600 0.3122 0.7396 0.090 Uiso 0.440(9) 1 calc R . P A 2
C28 C 0.4998(6) 0.3477(3) 0.6660(3) 0.0603(19) Uani 1 1 d . . . . .
H28A H 0.5461 0.3190 0.6599 0.072 Uiso 0.562(16) 1 calc R . P A 1
H28B H 0.4693 0.3387 0.7009 0.072 Uiso 0.562(16) 1 calc R . P A 1
H28C H 0.4449 0.3598 0.6851 0.072 Uiso 0.438(16) 1 calc R . P A 2
H28D H 0.5270 0.3169 0.6872 0.072 Uiso 0.438(16) 1 calc R . P A 2
C107 C 0.4980(16) 0.4708(11) 0.8070(11) 0.044(7) Uani 0.32(2) 1 d . U P A 2
H10C H 0.4534 0.4691 0.8369 0.053 Uiso 0.32(2) 1 calc R . P A 2
H10D H 0.4689 0.4848 0.7733 0.053 Uiso 0.32(2) 1 calc R . P A 2
C108 C 0.544(2) 0.4081(14) 0.7964(13) 0.066(9) Uani 0.32(2) 1 d . U P A 2
H10E H 0.4976 0.3791 0.7910 0.079 Uiso 0.32(2) 1 calc R . P A 2
H10F H 0.5827 0.3971 0.8274 0.079 Uiso 0.32(2) 1 calc R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 P1 2.5587(17) . ?
W1 P2 2.5634(16) . ?
W1 Cl1 2.5737(18) . ?
W1 Cl2 2.3363(18) . ?
W1 Cl3 2.3421(18) . ?
W1 C1 1.783(6) . ?
P1 C9 1.826(7) . ?
P1 C7 1.825(11) . ?
P1 C115 1.928(19) . ?
P1 C15 1.69(3) . ?
P1 C107 1.90(2) . ?
P2 C8 1.879(10) . ?
P2 C27 1.76(2) . ?
P2 C127 1.90(2) . ?
P2 C121 1.778(19) . ?
P2 C21 1.89(3) . ?
P2 C108 1.78(3) . ?
C9 C14 1.533(9) . ?
C9 C10 1.473(11) . ?
C1 C2 1.479(11) . ?
C14 C13 1.541(11) . ?
C10 C11 1.540(11) . ?
C2 C3 1.559(15) . ?
C11 C12 1.514(12) . ?
C12 C13 1.487(13) . ?
C4 C3 1.485(16) . ?
C5 C3 1.503(19) . ?
C3 C6 1.563(17) . ?
C8 C7 1.45(2) . ?
C27 C32 1.51(3) . ?
C27 C28 1.54(2) . ?
C31 C30 1.63(3) . ?
C31 C32 1.65(3) . ?
C30 C29 1.52(2) . ?
C29 C28 1.503(16) . ?
C127 C132 1.50(4) . ?
C127 C28 1.55(3) . ?
C129 C130 1.54(3) . ?
C129 C28 1.598(19) . ?
C130 C131 1.61(4) . ?
C131 C132 1.65(3) . ?
C115 C120 1.57(3) . ?
C115 C116 1.43(3) . ?
C117 C116 1.62(2) . ?
C117 C118 1.61(3) . ?
C120 C119 1.49(2) . ?
C119 C118 1.32(2) . ?
C15 C20 1.50(5) . ?
C15 C16 1.58(4) . ?
C20 C19 1.74(4) . ?
C19 C18 1.50(4) . ?
C18 C17 1.60(4) . ?
C17 C16 1.54(3) . ?
C121 C122 1.51(3) . ?
C121 C126 1.51(2) . ?
C122 C123 1.55(2) . ?
C3BA C123 1.27(3) . ?
C3BA C125 1.67(3) . ?
C126 C125 1.54(2) . ?
C21 C22 1.60(3) . ?
C21 C26 1.48(3) . ?
C22 C23 1.51(3) . ?
C26 C124 1.61(3) . ?
C124 C24 1.74(4) . ?
C24 C23 1.47(3) . ?
C107 C108 1.64(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 W1 P2 77.83(5) . . ?
P1 W1 Cl1 86.10(6) . . ?
P2 W1 Cl1 86.88(6) . . ?
Cl2 W1 P1 89.71(7) . . ?
Cl2 W1 P2 164.82(7) . . ?
Cl2 W1 Cl1 83.63(7) . . ?
Cl2 W1 Cl3 103.90(8) . . ?
Cl3 W1 P1 163.28(7) . . ?
Cl3 W1 P2 87.14(7) . . ?
Cl3 W1 Cl1 85.81(7) . . ?
C1 W1 P1 87.5(2) . . ?
C1 W1 P2 88.7(2) . . ?
C1 W1 Cl1 172.9(2) . . ?
C1 W1 Cl2 99.6(2) . . ?
C1 W1 Cl3 99.5(2) . . ?
C9 P1 W1 114.3(2) . . ?
C9 P1 C115 109.4(9) . . ?
C9 P1 C107 90.3(9) . . ?
C7 P1 W1 109.2(4) . . ?
C7 P1 C9 107.9(5) . . ?
C7 P1 C115 99.4(9) . . ?
C115 P1 W1 115.4(8) . . ?
C15 P1 W1 119.2(13) . . ?
C15 P1 C9 114.6(14) . . ?
C15 P1 C107 112.2(15) . . ?
C107 P1 W1 101.5(7) . . ?
C8 P2 W1 104.8(3) . . ?
C27 P2 W1 116.5(8) . . ?
C27 P2 C8 93.6(7) . . ?
C27 P2 C121 116.4(10) . . ?
C127 P2 W1 115.1(9) . . ?
C121 P2 W1 117.5(7) . . ?
C121 P2 C8 102.8(8) . . ?
C21 P2 W1 112.3(8) . . ?
C21 P2 C127 99.2(12) . . ?
C108 P2 W1 110.8(9) . . ?
C108 P2 C127 123.8(13) . . ?
C108 P2 C21 91.5(15) . . ?
C14 C9 P1 115.0(5) . . ?
C10 C9 P1 117.3(6) . . ?
C10 C9 C14 111.3(7) . . ?
C2 C1 W1 179.6(7) . . ?
C9 C14 C13 111.2(6) . . ?
C9 C10 C11 112.3(8) . . ?
C1 C2 C3 114.7(9) . . ?
C12 C11 C10 111.1(7) . . ?
C13 C12 C11 111.7(8) . . ?
C12 C13 C14 111.6(8) . . ?
C2 C3 C6 105.9(12) . . ?
C4 C3 C2 110.5(11) . . ?
C4 C3 C5 110.8(13) . . ?
C4 C3 C6 109.5(12) . . ?
C5 C3 C2 107.8(11) . . ?
C5 C3 C6 112.3(14) . . ?
C7 C8 P2 109.7(9) . . ?
C8 C7 P1 113.1(10) . . ?
C32 C27 P2 118.7(14) . . ?
C32 C27 C28 108.3(13) . . ?
C28 C27 P2 117.7(14) . . ?
C30 C31 C32 101.3(15) . . ?
C29 C30 C31 106.9(15) . . ?
C28 C29 C30 109.5(13) . . ?
C27 C32 C31 109.0(15) . . ?
C132 C127 P2 116.0(17) . . ?
C132 C127 C28 114(2) . . ?
C28 C127 P2 109.7(15) . . ?
C130 C129 C28 110.7(16) . . ?
C129 C130 C131 99.7(19) . . ?
C130 C131 C132 101.8(19) . . ?
C127 C132 C131 100.9(19) . . ?
C120 C115 P1 111.0(14) . . ?
C116 C115 P1 120.6(15) . . ?
C116 C115 C120 111.7(18) . . ?
C118 C117 C116 102.3(15) . . ?
C119 C120 C115 110.0(15) . . ?
C115 C116 C117 109.8(17) . . ?
C118 C119 C120 120.0(17) . . ?
C119 C118 C117 114.0(15) . . ?
C20 C15 P1 114(3) . . ?
C20 C15 C16 117(3) . . ?
C16 C15 P1 114(2) . . ?
C15 C20 C19 101(2) . . ?
C18 C19 C20 101(2) . . ?
C19 C18 C17 105(2) . . ?
C16 C17 C18 107(2) . . ?
C17 C16 C15 107(2) . . ?
C122 C121 P2 108.7(13) . . ?
C122 C121 C126 115.2(16) . . ?
C126 C121 P2 119.5(13) . . ?
C121 C122 C123 109.7(16) . . ?
C123 C3BA C125 113.9(18) . . ?
C121 C126 C125 107.3(14) . . ?
C3BA C123 C122 111.9(16) . . ?
C126 C125 C3BA 107.8(15) . . ?
C22 C21 P2 112.3(16) . . ?
C26 C21 P2 122.7(17) . . ?
C26 C21 C22 106(2) . . ?
C23 C22 C21 112(2) . . ?
C21 C26 C124 122(2) . . ?
C26 C124 C24 94.9(19) . . ?
C23 C24 C124 117(2) . . ?
C24 C23 C22 112(2) . . ?
C29 C28 C27 114.6(12) . . ?
C127 C28 C129 108.2(13) . . ?
C108 C107 P1 104.1(19) . . ?
C107 C108 P2 102(2) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.509 0.250 0.000 419.5 85.8 ?
2 -0.955 0.250 0.500 419.5 87.6 ?
3 -0.169 0.750 0.500 419.5 85.0 ?
4 -0.167 0.750 0.000 419.5 86.8 ?



_ins_header                      
;
TITL RK14_scaled in Pbca 
REM Pbca (#61 in standard setting)
CELL 1.54184  14.715593  23.458353  23.884463  90.0000  90.0000  90.0000
ZERR   11.00   0.000352   0.000593   0.000712   0.0000   0.0000   0.0000
LATT  1
SYMM -x+1/2,-y, z+1/2 
SYMM -x, y+1/2,-z+1/2 
SYMM  x+1/2,-y+1/2,-z 
SFAC C H O Si P Cl W
UNIT 363.00 638.00 22.00 11.00 22.00 44.00 11.00
TREF
HKLF 4
END
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.353
_oxdiff_exptl_absorpt_empirical_full_min 0.771
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Compound_4
_database_code_depnum_ccdc_archive 'CCDC 1822000'
_audit_update_record             
;
2018-02-02 deposited with the CCDC.
2018-02-13 downloaded from the CCDC.
;
_audit_creation_date             2016-09-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2013-3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H57 Cl3 O2 P2 Si W'
_chemical_formula_sum            'C33 H57 Cl3 O2 P2 Si W'
_chemical_formula_weight         866.01
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C33 H57 Cl3 O2 P2 Si W'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.3178(2)
_cell_length_b                   16.6846(3)
_cell_length_c                   18.1264(3)
_cell_angle_alpha                99.3043(14)
_cell_angle_beta                 95.4402(14)
_cell_angle_gamma                106.7416(16)
_cell_volume                     3763.42(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    27799
_cell_measurement_temperature    150
_cell_measurement_theta_max      73.7650
_cell_measurement_theta_min      2.4970
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.967
_exptl_absorpt_correction_T_max  0.453
_exptl_absorpt_correction_T_min  0.245
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1760
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
6 5 0 0.0901
-8 2 5 0.0738
-4 -8 1 0.0830
-1 0 -11 0.0942
6 -9 -3 0.0718
-6 6 6 0.0686
-5 10 -1 0.0653
-2 10 -7 0.0879
-5 10 -2 0.0634
6 -9 -1 0.0725
4 -1 9 0.0933
6 4 3 0.0800
-7 7 -5 0.0587
1 -9 8 0.1472

_exptl_crystal_size_max          0.283
_exptl_crystal_size_mid          0.185
_exptl_crystal_size_min          0.144
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
5.9883 5.0049 0.0185 -0.2645 0.8715 0.4138
-8.0040 1.9864 4.9855 0.8232 -0.2479 -0.4821
-3.9870 -8.0020 0.9815 -0.0285 -0.8675 -0.5555
-0.9834 0.0065 -11.0000 -0.0614 -0.6972 0.6905
6.0126 -8.9872 -2.9988 -0.9579 -0.3223 -0.0316
-6.0127 5.9863 5.9944 0.8572 0.2695 -0.3027
-5.0091 9.9907 -0.9971 0.8691 0.2568 0.3704
-2.0027 9.9983 -6.9899 0.5413 0.1749 0.8561
-5.0076 9.9914 -1.9969 0.8560 0.2011 0.4360
6.0098 -8.9885 -0.9992 -0.9317 -0.2108 -0.1627
3.9854 -1.0011 9.0051 -0.2606 0.7648 -0.5130
5.9854 4.0032 3.0166 -0.2718 0.9654 0.1712
-6.9975 6.9924 -5.0042 0.8425 -0.3544 0.4336
1.0006 -9.0006 7.9890 -0.3984 -0.1300 -0.9065

_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0193
_diffrn_reflns_av_unetI/netI     0.0120
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            76209
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.860
_diffrn_reflns_theta_min         2.498
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1297
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -106.00 -18.00   1.00    5.00    --  -37.35 -38.00 150.00   88
  2  ω    -91.00  -2.00   1.00    5.00    --  -37.35 125.00 -60.00   89
  3  ω    -30.00  64.00   1.00    5.00    --   37.35 -77.00  60.00   94
  4  ω     18.00 106.00   1.00    5.00    --   37.35  38.00 -30.00   88
  5  ω    -30.00  54.00   1.00    5.00    --   37.35 -57.00-120.00   84
  6  ω     11.00 105.00   1.00    5.00    --   37.35  77.00   0.00   94
  7  ω     11.00 105.00   1.00    5.00    --   37.35  77.00 -90.00   94
  8  ω    -34.00  67.00   1.00    5.00    --   37.35 -19.00 -60.00  101
  9  ω      1.00  76.00   1.00    5.00    --   37.35 -99.00-150.00   75
 10  ω      8.00 109.00   1.00    5.00    --   37.35  19.00-180.00  101
 11  ω    -30.00  54.00   1.00    5.00    --   37.35 -57.00 150.00   84
 12  ω      1.00  76.00   1.00    5.00    --   37.35 -99.00-180.00   75
 13  ω      5.00  33.00   1.00    5.00    --   37.35  88.00 -73.29   28
 14  ω    -32.00  56.00   1.00    5.00    --   37.35 -38.00  30.00   88
 15  ω      1.00  76.00   1.00    5.00    --   37.35 -99.00 -90.00   75
 16  ω     21.00 105.00   1.00    5.00    --   37.35  57.00 -30.00   84
 17  ω     23.00  91.00   1.00    5.00    --   37.35-125.00 120.00   68
 18  ω      1.00  76.00   1.00    5.00    --   37.35 -99.00 120.00   75
 19  ω     44.00 131.00   1.00    5.00    --  111.00 -64.00  90.00   87
 20  ω     41.00 116.00   1.00    5.00    --  111.00-111.00  90.00   75
 21  ω     41.00 136.00   1.00    5.00    --  111.00 -25.00 150.00   95
 22  ω     41.00 116.00   1.00    5.00    --  111.00-111.00   0.00   75
 23  ω     44.00 131.00   1.00    5.00    --  111.00 -64.00-150.00   87
 24  ω     41.00 116.00   1.00    5.00    --  111.00-111.00 -60.00   75
 25  ω     41.00 116.00   1.00    5.00    --  111.00-111.00  30.00   75
 26  ω     91.00 178.00   1.00    5.00    --  111.00  64.00-180.00   87
 27  ω     43.00 138.00   1.00    5.00    --  111.00 -77.00   0.00   95
 28  ω     41.00 116.00   1.00    5.00    --  111.00-111.00-120.00   75
 29  ω     42.00 146.00   1.00    5.00    --  111.00 -92.00-120.00  104
 30  ω     43.00 138.00   1.00    5.00    --  111.00 -77.00  90.00   95
 31  ω     42.00 146.00   1.00    5.00    --  111.00 -92.00  90.00  104
 32  ω     84.00 178.00   1.00    5.00    --  111.00  77.00 -30.00   94
 33  ω     41.00 157.00   1.00    5.00    --  111.00 -12.00 150.00  116
 34  ω     44.00 131.00   1.00    5.00    --  111.00 -64.00 -60.00   87
 35  ω     41.00 157.00   1.00    5.00    --  111.00 -12.00  30.00  116
 36  ω     42.00 130.00   1.00    5.00    --  111.00 -38.00   0.00   88
 37  ω     43.00 128.00   1.00    5.00    --  111.00 -50.00-120.00   85
 38  ω     86.00 178.00   1.00    5.00    --  111.00  25.00  90.00   92
 39  ω     41.00 116.00   1.00    5.00    --  111.00-111.00-180.00   75
 40  ω     84.00 178.00   1.00    5.00    --  111.00  77.00 150.00   94
 41  ω     94.00 178.00   1.00    5.00    --  111.00  50.00 120.00   84
 42  ω     57.00 150.00   1.00    5.00    --  111.00 178.00 120.00   93
 43  ω     94.00 178.00   1.00    5.00    --  111.00  50.00 -30.00   84
 44  ω    100.00 178.00   1.00    5.00    --  111.00 111.00  60.00   78
 45  ω     41.00 116.00   1.00    5.00    --  111.00-111.00 120.00   75
 46  ω    100.00 178.00   1.00    5.00    --  111.00 111.00-150.00   78
 47  ω    100.00 178.00   1.00    5.00    --  111.00 111.00 -90.00   78
 48  ω     84.00 174.00   1.00    5.00    --  111.00  77.00-150.00   90
 49  ω     43.00  93.00   1.00    5.00    --  111.00 -92.00 -90.00   50
 50  ω     95.00 133.00   1.00    5.00    --  111.00  50.00 150.00   38
 51  ω     57.00 108.00   1.00    5.00    --  111.00 178.00 -90.00   51
 52  ω     80.00 110.00   1.00    5.00    --  111.00 -27.00-150.59   30
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0831603000
_diffrn_orient_matrix_UB_12      0.0466012000
_diffrn_orient_matrix_UB_13      0.0130437000
_diffrn_orient_matrix_UB_21      0.0840149000
_diffrn_orient_matrix_UB_22      0.0734091000
_diffrn_orient_matrix_UB_23      0.0559131000
_diffrn_orient_matrix_UB_31      0.0308510000
_diffrn_orient_matrix_UB_32      0.0460091000
_diffrn_orient_matrix_UB_33      -0.0655025000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13046
_reflns_number_total             15176
_reflns_odcompleteness_completeness 98.56
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.117
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     763
_refine_ls_number_reflns         15176
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0310
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0218P)²+12.3498P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0714
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C16(H16), C10(H10), C128(H43), C22(H22), C121(H55), C122(H49), C28(H28),
 C110(H61)
2.b Secondary CH2 refined with riding coordinates:
 C27(H27a,H27b), C24(H24a,H24b), C23(H23a,H23b), C25(H25a,H25b), C26(H26a,
 H26b), C17(H17a,H17b), C19(H19a,H19b), C21(H21a,H21b), C20(H20a,H20b),
 C18(H18a,H18b), C8(H8a,H8b), C9(H9a,H9b), C109(H42a,H42b), C15(H15a,H15b),
 C11(H11a,H11b), C108(H41a,H41b), C13(H13a,H13b), C14(H14a,H14b), C120(H56a,
 H56b), C129(H44a,H44b), C33(H33a,H33b), C116(H60a,H60b), C133(H48a,H48b),
 C118(H58a,H58b), C123(H54a,H54b), C127(H50a,H50b), C119(H57a,H57b), C117(H59a,
 H59b), C29(H29a,H29b), C30(H30a,H30b), C32(H32a,H32b), C31(H31a,H31b),
 C131(H46a,H46b), C130(H45a,H45b), C132(H47a,H47b), C124(H53a,H53b), C12(H12a,
 H12b), C126(H51a,H51b), C125(H52a,H52b), C115(H66a,H66b), C113(H64a,H64b),
 C112(H63a,H63b), C114(H65a,H65b), C111(H62a,H62b)
2.c Idealised Me refined as rotating group:
 C103(H38a,H38b,H38c), C104(H37a,H37b,H37c), C105(H36a,H36b,H36c), C5(H5a,H5b,
 H5c), C3(H3a,H3b,H3c), C4(H4a,H4b,H4c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.93825(2) 0.25248(2) 0.73385(2) 0.02017(4) Uani 1 1 d . . . . .
W2 W 0.43440(2) 0.75030(2) 0.73222(2) 0.02105(4) Uani 1 1 d . . . . .
Cl3 Cl 0.77825(7) 0.38918(5) 0.86966(5) 0.03619(19) Uani 1 1 d . . . . .
Cl2 Cl 1.03016(7) 0.47646(5) 0.88718(5) 0.03421(18) Uani 1 1 d . . . . .
Si1 Si 0.90414(7) 0.39401(6) 0.80601(5) 0.02485(18) Uani 1 1 d . . . . .
P1 P 0.92451(7) 0.19329(5) 0.85482(4) 0.02331(16) Uani 1 1 d . . . . .
P2 P 0.74320(6) 0.16136(5) 0.71128(5) 0.02241(16) Uani 1 1 d . . . . .
Cl1 Cl 0.88179(8) 0.47935(6) 0.73710(5) 0.0413(2) Uani 1 1 d . . . . .
O2 O 0.9088(2) 0.3161(2) 0.58168(16) 0.0481(7) Uani 1 1 d . . . . .
C7 C 0.9177(3) 0.2956(2) 0.6378(2) 0.0313(8) Uani 1 1 d . . . . .
C27 C 1.0719(3) 0.1012(2) 0.8539(2) 0.0312(7) Uani 1 1 d . . . . .
H27A H 1.1053 0.1390 0.8203 0.037 Uiso 1 1 calc R . . . .
H27B H 1.1041 0.1290 0.9067 0.037 Uiso 1 1 calc R . . . .
C24 C 0.9216(3) -0.0578(2) 0.8752(2) 0.0390(9) Uani 1 1 d . . . . .
H24A H 0.8895 -0.0948 0.9097 0.047 Uiso 1 1 calc R . . . .
H24B H 0.8891 -0.0873 0.8228 0.047 Uiso 1 1 calc R . . . .
C23 C 0.8968(3) 0.0270(2) 0.8926(2) 0.0350(8) Uani 1 1 d . . . . .
H23A H 0.9210 0.0531 0.9468 0.042 Uiso 1 1 calc R . . . .
H23B H 0.8192 0.0161 0.8824 0.042 Uiso 1 1 calc R . . . .
C25 C 1.0409(3) -0.0445(2) 0.8840(2) 0.0387(9) Uani 1 1 d . . . . .
H25A H 1.0726 -0.0204 0.9376 0.046 Uiso 1 1 calc R . . . .
H25B H 1.0537 -0.1001 0.8695 0.046 Uiso 1 1 calc R . . . .
C26 C 1.0932(3) 0.0158(2) 0.8345(2) 0.0368(8) Uani 1 1 d . . . . .
H26A H 1.0652 -0.0103 0.7807 0.044 Uiso 1 1 calc R . . . .
H26B H 1.1706 0.0252 0.8420 0.044 Uiso 1 1 calc R . . . .
C17 C 0.6970(4) 0.0880(3) 0.5563(2) 0.0430(10) Uani 1 1 d . . . . .
H17A H 0.7701 0.1195 0.5501 0.052 Uiso 1 1 calc R . . . .
H17B H 0.6522 0.1256 0.5511 0.052 Uiso 1 1 calc R . . . .
C19 C 0.7156(4) -0.0541(3) 0.5009(3) 0.0538(12) Uani 1 1 d . . . . .
H19A H 0.7885 -0.0285 0.4907 0.065 Uiso 1 1 calc R . . . .
H19B H 0.6821 -0.1070 0.4625 0.065 Uiso 1 1 calc R . . . .
C21 C 0.7634(3) 0.0041(2) 0.6425(2) 0.0392(9) Uani 1 1 d . . . . .
H21A H 0.8384 0.0334 0.6391 0.047 Uiso 1 1 calc R . . . .
H21B H 0.7604 -0.0119 0.6927 0.047 Uiso 1 1 calc R . . . .
C20 C 0.7208(4) -0.0765(3) 0.5803(3) 0.0523(12) Uani 1 1 d . . . . .
H20A H 0.6491 -0.1095 0.5877 0.063 Uiso 1 1 calc R . . . .
H20B H 0.7675 -0.1129 0.5840 0.063 Uiso 1 1 calc R . . . .
C18 C 0.6541(4) 0.0066(3) 0.4943(3) 0.0582(13) Uani 1 1 d . . . . .
H18A H 0.5790 -0.0219 0.4979 0.070 Uiso 1 1 calc R . . . .
H18B H 0.6570 0.0226 0.4441 0.070 Uiso 1 1 calc R . . . .
P4 P 0.23664(6) 0.66580(5) 0.70151(5) 0.02329(16) Uani 1 1 d . . . . .
P3 P 0.40742(6) 0.68550(5) 0.85001(4) 0.02179(16) Uani 1 1 d . . . . .
Cl4 Cl 0.53262(7) 0.97402(6) 0.88480(5) 0.0382(2) Uani 1 1 d . . . . .
Si2 Si 0.40152(7) 0.89032(6) 0.80871(5) 0.02694(19) Uani 1 1 d . . . . .
Cl5 Cl 0.36457(9) 0.97266(6) 0.74190(6) 0.0452(2) Uani 1 1 d . . . . .
C34 C 0.4931(3) 0.6802(2) 0.67452(19) 0.0282(7) Uani 1 1 d . . . . .
C35 C 0.5583(3) 0.6424(3) 0.6249(2) 0.0332(8) Uani 1 1 d . . . . .
C38 C 0.5498(4) 0.6682(3) 0.5477(2) 0.0484(11) Uani 1 1 d . . . . .
H38A H 0.4759 0.6457 0.5229 0.073 Uiso 1 1 calc GR . . . .
H38B H 0.5946 0.6448 0.5163 0.073 Uiso 1 1 calc GR . . . .
H38C H 0.5735 0.7306 0.5547 0.073 Uiso 1 1 calc GR . . . .
C37 C 0.5157(4) 0.5443(3) 0.6126(3) 0.0529(12) Uani 1 1 d . . . . .
H37A H 0.5162 0.5269 0.6618 0.079 Uiso 1 1 calc GR . . . .
H37B H 0.5607 0.5192 0.5828 0.079 Uiso 1 1 calc GR . . . .
H37C H 0.4430 0.5243 0.5856 0.079 Uiso 1 1 calc GR . . . .
C36 C 0.6735(4) 0.6757(5) 0.6622(3) 0.083(2) Uani 1 1 d . . . . .
H36A H 0.6994 0.7379 0.6675 0.125 Uiso 1 1 calc GR . . . .
H36B H 0.7164 0.6497 0.6309 0.125 Uiso 1 1 calc GR . . . .
H36C H 0.6791 0.6609 0.7123 0.125 Uiso 1 1 calc GR . . . .
Cl6 Cl 0.28400(7) 0.88460(6) 0.88066(5) 0.03695(19) Uani 1 1 d . . . . .
C8 C 0.7839(3) 0.1666(2) 0.8672(2) 0.0301(7) Uani 1 1 d . . . . .
H8A H 0.7718 0.1343 0.9085 0.036 Uiso 1 1 calc R . . . .
H8B H 0.7656 0.2200 0.8817 0.036 Uiso 1 1 calc R . . . .
C9 C 0.7122(3) 0.1134(2) 0.7945(2) 0.0311(7) Uani 1 1 d . . . . .
H9A H 0.6374 0.1074 0.8004 0.037 Uiso 1 1 calc R . . . .
H9B H 0.7201 0.0555 0.7859 0.037 Uiso 1 1 calc R . . . .
C6 C 1.0865(3) 0.3359(2) 0.7618(2) 0.0325(8) Uani 1 1 d . . . . .
C16 C 0.6972(3) 0.0654(2) 0.6344(2) 0.0334(8) Uani 1 1 d . . . . .
H16 H 0.6224 0.0343 0.6388 0.040 Uiso 1 1 calc R . . . .
O1 O 1.1703(2) 0.38159(18) 0.77251(18) 0.0457(7) Uani 1 1 d . . . . .
C10 C 0.6430(2) 0.2187(2) 0.70367(18) 0.0238(6) Uani 1 1 d . . . . .
H10 H 0.6505 0.2541 0.7552 0.029 Uiso 1 1 calc R . . . .
C1 C 1.0021(3) 0.1851(2) 0.67783(18) 0.0254(7) Uani 1 1 d . . . . .
C42 C 0.2636(3) 0.6560(2) 0.85405(19) 0.0274(7) Uani 1 1 d . . . . .
H42A H 0.2465 0.6208 0.8929 0.033 Uiso 1 1 calc R . . . .
H42B H 0.2432 0.7083 0.8685 0.033 Uiso 1 1 calc R . . . .
C15 C 0.6616(3) 0.2822(2) 0.6505(2) 0.0293(7) Uani 1 1 d . . . . .
H15A H 0.6493 0.2509 0.5975 0.035 Uiso 1 1 calc R . . . .
H15B H 0.7360 0.3200 0.6621 0.035 Uiso 1 1 calc R . . . .
C2 C 1.0708(3) 0.1534(2) 0.6278(2) 0.0309(7) Uani 1 1 d . . . . .
C11 C 0.5274(3) 0.1606(2) 0.6870(2) 0.0346(8) Uani 1 1 d . . . . .
H11A H 0.5127 0.1269 0.6347 0.042 Uiso 1 1 calc R . . . .
H11B H 0.5160 0.1202 0.7221 0.042 Uiso 1 1 calc R . . . .
C41 C 0.2013(3) 0.6060(2) 0.7772(2) 0.0300(7) Uani 1 1 d . . . . .
H41A H 0.1245 0.5936 0.7793 0.036 Uiso 1 1 calc R . . . .
H41B H 0.2161 0.5508 0.7656 0.036 Uiso 1 1 calc R . . . .
C13 C 0.4706(3) 0.2807(3) 0.6462(2) 0.0394(9) Uani 1 1 d . . . . .
H13A H 0.4506 0.2517 0.5924 0.047 Uiso 1 1 calc R . . . .
H13B H 0.4249 0.3172 0.6571 0.047 Uiso 1 1 calc R . . . .
C14 C 0.5863(3) 0.3362(2) 0.6598(2) 0.0369(8) Uani 1 1 d . . . . .
H14A H 0.6034 0.3713 0.7116 0.044 Uiso 1 1 calc R . . . .
H14B H 0.5969 0.3754 0.6237 0.044 Uiso 1 1 calc R . . . .
C43 C 0.4360(3) 0.5816(2) 0.84140(18) 0.0264(7) Uani 1 1 d . . . . .
H43 H 0.4024 0.5494 0.7892 0.032 Uiso 1 1 calc R . . . .
C22 C 0.9518(3) 0.0889(2) 0.84449(19) 0.0274(7) Uani 1 1 d . . . . .
H22 H 0.9237 0.0594 0.7908 0.033 Uiso 1 1 calc R . . . .
C55 C 0.1449(3) 0.7311(2) 0.69981(18) 0.0256(7) Uani 1 1 d . . . . .
H55 H 0.1685 0.7750 0.7478 0.031 Uiso 1 1 calc R . . . .
C49 C 0.4671(3) 0.7551(2) 0.94395(18) 0.0271(7) Uani 1 1 d . . . . .
H49 H 0.4435 0.8068 0.9441 0.033 Uiso 1 1 calc R . . . .
C28 C 0.9919(3) 0.2638(2) 0.9474(2) 0.0364(8) Uani 1 1 d . . . . .
H28 H 0.9605 0.3118 0.9522 0.044 Uiso 1 1 calc R . . . .
C56 C 0.1549(3) 0.7816(2) 0.6358(2) 0.0338(8) Uani 1 1 d . . . . .
H56A H 0.1287 0.7415 0.5866 0.041 Uiso 1 1 calc R . . . .
H56B H 0.2305 0.8130 0.6365 0.041 Uiso 1 1 calc R . . . .
C44 C 0.3890(4) 0.5230(2) 0.8940(3) 0.0439(10) Uani 1 1 d . . . . .
H44A H 0.3117 0.5136 0.8894 0.053 Uiso 1 1 calc R . . . .
H44B H 0.4208 0.5506 0.9469 0.053 Uiso 1 1 calc R . . . .
C33 C 1.1111(3) 0.3070(3) 0.9507(2) 0.0409(9) Uani 1 1 d . . . . .
H33A H 1.1235 0.3343 0.9063 0.049 Uiso 1 1 calc R . . . .
H33B H 1.1486 0.2636 0.9489 0.049 Uiso 1 1 calc R . . . .
C60 C 0.0284(3) 0.6851(3) 0.7005(2) 0.0414(9) Uani 1 1 d . . . . .
H60A H 0.0217 0.6547 0.7433 0.050 Uiso 1 1 calc R . . . .
H60B H -0.0007 0.6421 0.6531 0.050 Uiso 1 1 calc R . . . .
C48 C 0.5540(3) 0.5926(3) 0.8439(3) 0.0415(9) Uani 1 1 d . . . . .
H48A H 0.5918 0.6216 0.8952 0.050 Uiso 1 1 calc R . . . .
H48B H 0.5830 0.6288 0.8079 0.050 Uiso 1 1 calc R . . . .
C58 C -0.0252(3) 0.7986(3) 0.6458(2) 0.0431(10) Uani 1 1 d . . . . .
H58A H -0.0645 0.8406 0.6538 0.052 Uiso 1 1 calc R . . . .
H58B H -0.0565 0.7594 0.5966 0.052 Uiso 1 1 calc R . . . .
C54 C 0.4277(4) 0.7203(3) 1.0123(2) 0.0467(11) Uani 1 1 d . . . . .
H54A H 0.4518 0.6704 1.0178 0.056 Uiso 1 1 calc R . . . .
H54B H 0.3492 0.7012 1.0048 0.056 Uiso 1 1 calc R . . . .
C50 C 0.5883(3) 0.7890(3) 0.9553(2) 0.0505(12) Uani 1 1 d . . . . .
H50A H 0.6178 0.7414 0.9585 0.061 Uiso 1 1 calc R . . . .
H50B H 0.6118 0.8137 0.9114 0.061 Uiso 1 1 calc R . . . .
C57 C 0.0912(3) 0.8449(3) 0.6445(3) 0.0426(9) Uani 1 1 d . . . . .
H57A H 0.1208 0.8876 0.6920 0.051 Uiso 1 1 calc R . . . .
H57B H 0.0972 0.8755 0.6019 0.051 Uiso 1 1 calc R . . . .
C59 C -0.0353(3) 0.7485(3) 0.7081(3) 0.0492(11) Uani 1 1 d . . . . .
H59A H -0.1110 0.7170 0.7070 0.059 Uiso 1 1 calc R . . . .
H59B H -0.0098 0.7885 0.7575 0.059 Uiso 1 1 calc R . . . .
C29 C 0.9697(5) 0.2258(3) 1.0165(2) 0.0559(13) Uani 1 1 d . . . . .
H29A H 1.0034 0.1803 1.0179 0.067 Uiso 1 1 calc R . . . .
H29B H 0.8922 0.1999 1.0140 0.067 Uiso 1 1 calc R . . . .
C30 C 1.0134(5) 0.2956(3) 1.0886(2) 0.0659(16) Uani 1 1 d . . . . .
H30A H 0.9760 0.3390 1.0887 0.079 Uiso 1 1 calc R . . . .
H30B H 1.0000 0.2698 1.1336 0.079 Uiso 1 1 calc R . . . .
C32 C 1.1556(4) 0.3753(3) 1.0242(3) 0.0573(13) Uani 1 1 d . . . . .
H32A H 1.2333 0.3996 1.0271 0.069 Uiso 1 1 calc R . . . .
H32B H 1.1241 0.4221 1.0229 0.069 Uiso 1 1 calc R . . . .
C31 C 1.1318(5) 0.3384(3) 1.0931(3) 0.0720(17) Uani 1 1 d . . . . .
H31A H 1.1573 0.3844 1.1387 0.086 Uiso 1 1 calc R . . . .
H31B H 1.1698 0.2960 1.0975 0.086 Uiso 1 1 calc R . . . .
O4 O 0.4290(2) 0.8364(2) 0.59013(17) 0.0521(8) Uani 1 1 d . . . . .
O3 O 0.6726(2) 0.8655(2) 0.78102(18) 0.0522(8) Uani 1 1 d . . . . .
C39 C 0.4287(3) 0.8064(3) 0.6422(2) 0.0357(8) Uani 1 1 d . . . . .
C40 C 0.5861(3) 0.8243(2) 0.7667(2) 0.0350(8) Uani 1 1 d . . . . .
C46 C 0.5270(3) 0.4474(2) 0.8755(2) 0.0393(9) Uani 1 1 d . . . . .
H46A H 0.5653 0.4717 0.9276 0.047 Uiso 1 1 calc R . . . .
H46B H 0.5368 0.3909 0.8593 0.047 Uiso 1 1 calc R . . . .
C45 C 0.4096(4) 0.4366(3) 0.8749(3) 0.0475(10) Uani 1 1 d . . . . .
H45A H 0.3826 0.4016 0.9122 0.057 Uiso 1 1 calc R . . . .
H45B H 0.3704 0.4058 0.8243 0.057 Uiso 1 1 calc R . . . .
C47 C 0.5724(4) 0.5058(3) 0.8232(3) 0.0480(11) Uani 1 1 d . . . . .
H47A H 0.5387 0.4787 0.7705 0.058 Uiso 1 1 calc R . . . .
H47B H 0.6494 0.5142 0.8262 0.058 Uiso 1 1 calc R . . . .
C53 C 0.4701(4) 0.7893(3) 1.0842(2) 0.0453(10) Uani 1 1 d . . . . .
H53A H 0.4412 0.8371 1.0802 0.054 Uiso 1 1 calc R . . . .
H53B H 0.4459 0.7654 1.1283 0.054 Uiso 1 1 calc R . . . .
C12 C 0.4521(3) 0.2138(3) 0.6961(2) 0.0417(9) Uani 1 1 d . . . . .
H12A H 0.4621 0.2427 0.7496 0.050 Uiso 1 1 calc R . . . .
H12B H 0.3780 0.1756 0.6826 0.050 Uiso 1 1 calc R . . . .
C51 C 0.6298(4) 0.8572(3) 1.0277(2) 0.0533(12) Uani 1 1 d . . . . .
H51A H 0.7083 0.8762 1.0357 0.064 Uiso 1 1 calc R . . . .
H51B H 0.6061 0.9073 1.0223 0.064 Uiso 1 1 calc R . . . .
C52 C 0.5896(4) 0.8225(3) 1.0963(2) 0.0503(11) Uani 1 1 d . . . . .
H52A H 0.6188 0.7759 1.1046 0.060 Uiso 1 1 calc R . . . .
H52B H 0.6147 0.8685 1.1420 0.060 Uiso 1 1 calc R . . . .
C5 C 1.0217(4) 0.1393(4) 0.5459(2) 0.0549(12) Uani 1 1 d . . . . .
H5A H 0.9524 0.0952 0.5369 0.082 Uiso 1 1 calc GR . . . .
H5B H 1.0682 0.1208 0.5128 0.082 Uiso 1 1 calc GR . . . .
H5C H 1.0127 0.1927 0.5351 0.082 Uiso 1 1 calc GR . . . .
C3 C 1.1800(3) 0.2221(3) 0.6385(3) 0.0594(13) Uani 1 1 d . . . . .
H3A H 1.1704 0.2762 0.6302 0.089 Uiso 1 1 calc GR . . . .
H3B H 1.2228 0.2038 0.6020 0.089 Uiso 1 1 calc GR . . . .
H3C H 1.2163 0.2299 0.6899 0.089 Uiso 1 1 calc GR . . . .
C4 C 1.0855(5) 0.0713(3) 0.6466(3) 0.0698(17) Uani 1 1 d . . . . .
H4A H 1.1185 0.0822 0.6995 0.105 Uiso 1 1 calc GR . . . .
H4B H 1.1312 0.0517 0.6135 0.105 Uiso 1 1 calc GR . . . .
H4C H 1.0164 0.0273 0.6391 0.105 Uiso 1 1 calc GR . . . .
C66 C 0.2411(4) 0.6140(3) 0.5458(2) 0.0406(9) Uani 1 1 d . . . . .
H66A H 0.2278 0.6679 0.5386 0.049 Uiso 1 1 calc R . . . .
H66B H 0.3187 0.6261 0.5584 0.049 Uiso 1 1 calc R . . . .
C61 C 0.1865(4) 0.5830(3) 0.6120(2) 0.0467(10) Uani 1 1 d . . . . .
H61 H 0.1109 0.5804 0.5988 0.056 Uiso 1 1 calc R . . . .
C64 C 0.1998(4) 0.4606(3) 0.4801(3) 0.0610(13) Uani 1 1 d . . . . .
H64A H 0.2734 0.4598 0.4931 0.073 Uiso 1 1 calc R . . . .
H64B H 0.1684 0.4203 0.4315 0.073 Uiso 1 1 calc R . . . .
C63 C 0.1372(5) 0.4335(3) 0.5400(3) 0.0630(14) Uani 1 1 d . . . . .
H63A H 0.1381 0.3756 0.5454 0.076 Uiso 1 1 calc R . . . .
H63B H 0.0627 0.4308 0.5252 0.076 Uiso 1 1 calc R . . . .
C65 C 0.2007(5) 0.5479(3) 0.4724(3) 0.0680(15) Uani 1 1 d . . . . .
H65A H 0.1277 0.5464 0.4536 0.082 Uiso 1 1 calc R . . . .
H65B H 0.2458 0.5661 0.4340 0.082 Uiso 1 1 calc R . . . .
C62 C 0.1823(7) 0.4962(3) 0.6171(3) 0.091(2) Uani 1 1 d . . . . .
H62A H 0.1372 0.4773 0.6553 0.109 Uiso 1 1 calc R . . . .
H62B H 0.2546 0.4948 0.6341 0.109 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 Si1 2.6880(9) . ?
W1 P1 2.5473(8) . ?
W1 P2 2.5590(8) . ?
W1 C7 2.013(4) . ?
W1 C6 2.023(4) . ?
W1 C1 1.834(3) . ?
W2 P4 2.5618(8) . ?
W2 P3 2.5544(8) . ?
W2 Si2 2.6887(9) . ?
W2 C34 1.833(4) . ?
W2 C39 2.015(4) . ?
W2 C40 2.018(4) . ?
Cl3 Si1 2.1137(13) . ?
Cl2 Si1 2.1026(12) . ?
Si1 Cl1 2.1035(13) . ?
P1 C8 1.841(4) . ?
P1 C22 1.864(3) . ?
P1 C28 1.863(4) . ?
P2 C9 1.845(4) . ?
P2 C16 1.853(4) . ?
P2 C10 1.860(3) . ?
O2 C7 1.131(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C26 1.523(5) . ?
C27 C22 1.543(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C23 1.533(5) . ?
C24 C25 1.529(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C22 1.530(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.519(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.539(5) . ?
C17 C16 1.523(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.544(7) . ?
C19 C18 1.487(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C20 1.534(5) . ?
C21 C16 1.544(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
P4 C41 1.843(3) . ?
P4 C55 1.858(3) . ?
P4 C61 1.877(4) . ?
P3 C42 1.846(3) . ?
P3 C43 1.865(3) . ?
P3 C49 1.858(3) . ?
Cl4 Si2 2.1016(13) . ?
Si2 Cl5 2.1003(13) . ?
Si2 Cl6 2.1215(13) . ?
C34 C35 1.497(5) . ?
C35 C38 1.531(5) . ?
C35 C37 1.542(6) . ?
C35 C36 1.520(6) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.527(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C6 O1 1.133(4) . ?
C16 H16 1.0000 . ?
C10 H10 1.0000 . ?
C10 C15 1.529(5) . ?
C10 C11 1.536(4) . ?
C1 C2 1.489(5) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C41 1.527(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C14 1.533(5) . ?
C2 C5 1.516(5) . ?
C2 C3 1.543(6) . ?
C2 C4 1.526(5) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.523(5) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.524(5) . ?
C13 C12 1.527(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C43 H43 1.0000 . ?
C43 C44 1.522(5) . ?
C43 C48 1.525(5) . ?
C22 H22 1.0000 . ?
C55 H55 1.0000 . ?
C55 C56 1.533(5) . ?
C55 C60 1.522(5) . ?
C49 H49 1.0000 . ?
C49 C54 1.526(5) . ?
C49 C50 1.530(5) . ?
C28 H28 1.0000 . ?
C28 C33 1.533(6) . ?
C28 C29 1.509(5) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.532(5) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.535(5) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C32 1.547(5) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C59 1.534(6) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C47 1.531(5) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C57 1.524(6) . ?
C58 C59 1.503(6) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C53 1.530(5) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.530(6) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.543(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.520(8) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C31 1.500(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
O4 C39 1.136(5) . ?
O3 C40 1.139(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C45 1.520(6) . ?
C46 C47 1.510(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C53 C52 1.509(7) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.533(6) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C61 1.545(6) . ?
C66 C65 1.524(6) . ?
C61 H61 1.0000 . ?
C61 C62 1.452(7) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C63 1.480(7) . ?
C64 C65 1.483(7) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C62 1.553(7) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 W1 Si1 89.13(3) . . ?
P1 W1 P2 78.79(3) . . ?
P2 W1 Si1 94.96(3) . . ?
C7 W1 Si1 86.85(11) . . ?
C7 W1 P1 168.46(10) . . ?
C7 W1 P2 90.78(10) . . ?
C7 W1 C6 90.68(15) . . ?
C6 W1 Si1 77.45(10) . . ?
C6 W1 P1 99.00(11) . . ?
C6 W1 P2 172.18(10) . . ?
C1 W1 Si1 159.50(10) . . ?
C1 W1 P1 102.97(10) . . ?
C1 W1 P2 103.51(10) . . ?
C1 W1 C7 84.13(14) . . ?
C1 W1 C6 84.28(14) . . ?
P4 W2 Si2 93.90(3) . . ?
P3 W2 P4 79.26(3) . . ?
P3 W2 Si2 87.75(3) . . ?
C34 W2 P4 101.82(11) . . ?
C34 W2 P3 103.60(11) . . ?
C34 W2 Si2 162.02(11) . . ?
C34 W2 C39 85.67(15) . . ?
C34 W2 C40 84.33(15) . . ?
C39 W2 P4 92.56(11) . . ?
C39 W2 P3 168.65(10) . . ?
C39 W2 Si2 84.96(11) . . ?
C39 W2 C40 89.83(16) . . ?
C40 W2 P4 173.55(11) . . ?
C40 W2 P3 97.51(11) . . ?
C40 W2 Si2 80.34(11) . . ?
Cl3 Si1 W1 122.40(4) . . ?
Cl2 Si1 W1 115.71(4) . . ?
Cl2 Si1 Cl3 99.20(5) . . ?
Cl2 Si1 Cl1 100.03(5) . . ?
Cl1 Si1 W1 115.24(5) . . ?
Cl1 Si1 Cl3 100.68(5) . . ?
C8 P1 W1 106.13(11) . . ?
C8 P1 C22 104.04(16) . . ?
C8 P1 C28 102.16(17) . . ?
C22 P1 W1 111.81(11) . . ?
C28 P1 W1 119.86(13) . . ?
C28 P1 C22 110.98(16) . . ?
C9 P2 W1 109.39(12) . . ?
C9 P2 C16 101.07(17) . . ?
C9 P2 C10 101.48(15) . . ?
C16 P2 W1 119.18(12) . . ?
C16 P2 C10 106.43(16) . . ?
C10 P2 W1 116.75(11) . . ?
O2 C7 W1 175.6(3) . . ?
H27A C27 H27B 108.0 . . ?
C26 C27 H27A 109.4 . . ?
C26 C27 H27B 109.4 . . ?
C26 C27 C22 110.9(3) . . ?
C22 C27 H27A 109.4 . . ?
C22 C27 H27B 109.4 . . ?
H24A C24 H24B 107.9 . . ?
C23 C24 H24A 109.2 . . ?
C23 C24 H24B 109.2 . . ?
C25 C24 H24A 109.2 . . ?
C25 C24 H24B 109.2 . . ?
C25 C24 C23 111.9(3) . . ?
C24 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
C24 C23 C22 111.0(3) . . ?
H23A C23 H23B 108.0 . . ?
C22 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
C24 C25 H25A 109.6 . . ?
C24 C25 H25B 109.6 . . ?
H25A C25 H25B 108.1 . . ?
C26 C25 C24 110.4(3) . . ?
C26 C25 H25A 109.6 . . ?
C26 C25 H25B 109.6 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
C25 C26 C27 110.8(3) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 H17A 109.6 . . ?
C18 C17 H17B 109.6 . . ?
C16 C17 H17A 109.6 . . ?
C16 C17 H17B 109.6 . . ?
C16 C17 C18 110.5(4) . . ?
H19A C19 H19B 107.9 . . ?
C20 C19 H19A 109.3 . . ?
C20 C19 H19B 109.3 . . ?
C18 C19 H19A 109.3 . . ?
C18 C19 H19B 109.3 . . ?
C18 C19 C20 111.7(4) . . ?
H21A C21 H21B 108.1 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 C16 110.6(3) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C19 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
C21 C20 C19 111.4(4) . . ?
C21 C20 H20A 109.4 . . ?
C21 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C17 C18 H18A 109.2 . . ?
C17 C18 H18B 109.2 . . ?
C19 C18 C17 112.2(4) . . ?
C19 C18 H18A 109.2 . . ?
C19 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C41 P4 W2 108.21(11) . . ?
C41 P4 C55 104.36(16) . . ?
C41 P4 C61 104.29(18) . . ?
C55 P4 W2 115.48(11) . . ?
C55 P4 C61 103.71(19) . . ?
C61 P4 W2 119.31(15) . . ?
C42 P3 W2 106.03(11) . . ?
C42 P3 C43 103.63(16) . . ?
C42 P3 C49 103.33(16) . . ?
C43 P3 W2 112.61(11) . . ?
C49 P3 W2 118.40(11) . . ?
C49 P3 C43 111.12(15) . . ?
Cl4 Si2 W2 115.19(5) . . ?
Cl4 Si2 Cl6 98.70(5) . . ?
Cl5 Si2 W2 115.31(5) . . ?
Cl5 Si2 Cl4 101.39(5) . . ?
Cl5 Si2 Cl6 99.84(6) . . ?
Cl6 Si2 W2 122.93(4) . . ?
C35 C34 W2 166.5(3) . . ?
C34 C35 C38 110.1(3) . . ?
C34 C35 C37 109.1(3) . . ?
C34 C35 C36 109.0(3) . . ?
C38 C35 C37 108.4(3) . . ?
C36 C35 C38 109.2(4) . . ?
C36 C35 C37 111.2(4) . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
P1 C8 H8A 109.4 . . ?
P1 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 P1 111.1(2) . . ?
C9 C8 H8A 109.4 . . ?
C9 C8 H8B 109.4 . . ?
P2 C9 H9A 109.1 . . ?
P2 C9 H9B 109.1 . . ?
C8 C9 P2 112.4(2) . . ?
C8 C9 H9A 109.1 . . ?
C8 C9 H9B 109.1 . . ?
H9A C9 H9B 107.8 . . ?
O1 C6 W1 175.5(3) . . ?
P2 C16 H16 107.4 . . ?
C17 C16 P2 112.4(3) . . ?
C17 C16 C21 110.4(3) . . ?
C17 C16 H16 107.4 . . ?
C21 C16 P2 111.5(3) . . ?
C21 C16 H16 107.4 . . ?
P2 C10 H10 105.3 . . ?
C15 C10 P2 115.2(2) . . ?
C15 C10 H10 105.3 . . ?
C15 C10 C11 110.2(3) . . ?
C11 C10 P2 114.5(2) . . ?
C11 C10 H10 105.3 . . ?
C2 C1 W1 164.2(3) . . ?
P3 C42 H42A 109.6 . . ?
P3 C42 H42B 109.6 . . ?
H42A C42 H42B 108.1 . . ?
C41 C42 P3 110.2(2) . . ?
C41 C42 H42A 109.6 . . ?
C41 C42 H42B 109.6 . . ?
C10 C15 H15A 109.7 . . ?
C10 C15 H15B 109.7 . . ?
C10 C15 C14 109.9(3) . . ?
H15A C15 H15B 108.2 . . ?
C14 C15 H15A 109.7 . . ?
C14 C15 H15B 109.7 . . ?
C1 C2 C5 109.3(3) . . ?
C1 C2 C3 109.4(3) . . ?
C1 C2 C4 110.7(3) . . ?
C5 C2 C3 107.3(4) . . ?
C4 C2 C5 110.9(4) . . ?
C4 C2 C3 109.3(4) . . ?
C10 C11 H11A 109.6 . . ?
C10 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
C12 C11 C10 110.3(3) . . ?
C12 C11 H11A 109.6 . . ?
C12 C11 H11B 109.6 . . ?
P4 C41 H41A 109.3 . . ?
P4 C41 H41B 109.3 . . ?
C42 C41 P4 111.5(2) . . ?
C42 C41 H41A 109.3 . . ?
C42 C41 H41B 109.3 . . ?
H41A C41 H41B 108.0 . . ?
H13A C13 H13B 108.0 . . ?
C14 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C14 C13 C12 111.4(3) . . ?
C12 C13 H13A 109.4 . . ?
C12 C13 H13B 109.4 . . ?
C15 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
C13 C14 C15 111.7(3) . . ?
C13 C14 H14A 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 107.9 . . ?
P3 C43 H43 105.3 . . ?
C44 C43 P3 117.3(2) . . ?
C44 C43 H43 105.3 . . ?
C48 C43 P3 112.3(2) . . ?
C48 C43 H43 105.3 . . ?
C48 C43 C44 110.2(3) . . ?
P1 C22 H22 105.7 . . ?
C27 C22 P1 111.4(2) . . ?
C27 C22 H22 105.7 . . ?
C23 C22 P1 116.7(2) . . ?
C23 C22 C27 110.7(3) . . ?
C23 C22 H22 105.7 . . ?
P4 C55 H55 105.6 . . ?
C56 C55 P4 113.1(2) . . ?
C56 C55 H55 105.6 . . ?
C60 C55 P4 116.6(3) . . ?
C60 C55 H55 105.6 . . ?
C60 C55 C56 109.5(3) . . ?
P3 C49 H49 104.8 . . ?
C54 C49 P3 116.1(3) . . ?
C54 C49 H49 104.8 . . ?
C54 C49 C50 111.1(3) . . ?
C50 C49 P3 113.9(2) . . ?
C50 C49 H49 104.8 . . ?
P1 C28 H28 104.7 . . ?
C33 C28 P1 114.5(3) . . ?
C33 C28 H28 104.7 . . ?
C29 C28 P1 115.9(3) . . ?
C29 C28 H28 104.7 . . ?
C29 C28 C33 111.0(4) . . ?
C55 C56 H56A 109.4 . . ?
C55 C56 H56B 109.4 . . ?
C55 C56 C57 111.0(3) . . ?
H56A C56 H56B 108.0 . . ?
C57 C56 H56A 109.4 . . ?
C57 C56 H56B 109.4 . . ?
C43 C44 H44A 109.4 . . ?
C43 C44 H44B 109.4 . . ?
C43 C44 C45 111.3(3) . . ?
H44A C44 H44B 108.0 . . ?
C45 C44 H44A 109.4 . . ?
C45 C44 H44B 109.4 . . ?
C28 C33 H33A 109.6 . . ?
C28 C33 H33B 109.6 . . ?
C28 C33 C32 110.4(4) . . ?
H33A C33 H33B 108.1 . . ?
C32 C33 H33A 109.6 . . ?
C32 C33 H33B 109.6 . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
C55 C60 C59 110.7(3) . . ?
H60A C60 H60B 108.1 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
C43 C48 C47 110.6(3) . . ?
H48A C48 H48B 108.1 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H58A C58 H58B 108.1 . . ?
C57 C58 H58A 109.6 . . ?
C57 C58 H58B 109.6 . . ?
C59 C58 H58A 109.6 . . ?
C59 C58 H58B 109.6 . . ?
C59 C58 C57 110.2(3) . . ?
C49 C54 H54A 109.6 . . ?
C49 C54 H54B 109.6 . . ?
C49 C54 C53 110.2(3) . . ?
H54A C54 H54B 108.1 . . ?
C53 C54 H54A 109.6 . . ?
C53 C54 H54B 109.6 . . ?
C49 C50 H50A 109.6 . . ?
C49 C50 H50B 109.6 . . ?
H50A C50 H50B 108.1 . . ?
C51 C50 C49 110.4(3) . . ?
C51 C50 H50A 109.6 . . ?
C51 C50 H50B 109.6 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C58 C57 C56 110.7(3) . . ?
C58 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
H57A C57 H57B 108.1 . . ?
C60 C59 H59A 109.3 . . ?
C60 C59 H59B 109.3 . . ?
C58 C59 C60 111.8(4) . . ?
C58 C59 H59A 109.3 . . ?
C58 C59 H59B 109.3 . . ?
H59A C59 H59B 107.9 . . ?
C28 C29 H29A 109.7 . . ?
C28 C29 H29B 109.7 . . ?
C28 C29 C30 110.0(4) . . ?
H29A C29 H29B 108.2 . . ?
C30 C29 H29A 109.7 . . ?
C30 C29 H29B 109.7 . . ?
C29 C30 H30A 109.4 . . ?
C29 C30 H30B 109.4 . . ?
H30A C30 H30B 108.0 . . ?
C31 C30 C29 111.0(5) . . ?
C31 C30 H30A 109.4 . . ?
C31 C30 H30B 109.4 . . ?
C33 C32 H32A 109.3 . . ?
C33 C32 H32B 109.3 . . ?
H32A C32 H32B 108.0 . . ?
C31 C32 C33 111.7(4) . . ?
C31 C32 H32A 109.3 . . ?
C31 C32 H32B 109.3 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C32 C31 C30 110.9(4) . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 108.0 . . ?
O4 C39 W2 176.7(3) . . ?
O3 C40 W2 175.2(3) . . ?
H46A C46 H46B 108.1 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C47 C46 H46A 109.5 . . ?
C47 C46 H46B 109.5 . . ?
C47 C46 C45 110.5(3) . . ?
C44 C45 H45A 109.3 . . ?
C44 C45 H45B 109.3 . . ?
C46 C45 C44 111.7(4) . . ?
C46 C45 H45A 109.3 . . ?
C46 C45 H45B 109.3 . . ?
H45A C45 H45B 107.9 . . ?
C48 C47 H47A 109.3 . . ?
C48 C47 H47B 109.3 . . ?
C46 C47 C48 111.4(3) . . ?
C46 C47 H47A 109.3 . . ?
C46 C47 H47B 109.3 . . ?
H47A C47 H47B 108.0 . . ?
C54 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C52 C53 C54 111.3(4) . . ?
C52 C53 H53A 109.4 . . ?
C52 C53 H53B 109.4 . . ?
C11 C12 C13 111.8(3) . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
C13 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
H12A C12 H12B 107.9 . . ?
C50 C51 H51A 109.4 . . ?
C50 C51 H51B 109.4 . . ?
H51A C51 H51B 108.0 . . ?
C52 C51 C50 111.0(4) . . ?
C52 C51 H51A 109.4 . . ?
C52 C51 H51B 109.4 . . ?
C53 C52 C51 110.6(3) . . ?
C53 C52 H52A 109.5 . . ?
C53 C52 H52B 109.5 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 108.1 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
H66A C66 H66B 107.9 . . ?
C61 C66 H66A 109.3 . . ?
C61 C66 H66B 109.3 . . ?
C65 C66 H66A 109.3 . . ?
C65 C66 H66B 109.3 . . ?
C65 C66 C61 111.8(4) . . ?
P4 C61 H61 104.8 . . ?
C66 C61 P4 111.0(3) . . ?
C66 C61 H61 104.8 . . ?
C62 C61 P4 116.8(4) . . ?
C62 C61 C66 113.4(4) . . ?
C62 C61 H61 104.8 . . ?
H64A C64 H64B 108.2 . . ?
C63 C64 H64A 109.7 . . ?
C63 C64 H64B 109.7 . . ?
C65 C64 H64A 109.7 . . ?
C65 C64 H64B 109.7 . . ?
C65 C64 C63 109.9(4) . . ?
C64 C63 H63A 109.3 . . ?
C64 C63 H63B 109.3 . . ?
C64 C63 C62 111.4(4) . . ?
H63A C63 H63B 108.0 . . ?
C62 C63 H63A 109.3 . . ?
C62 C63 H63B 109.3 . . ?
C66 C65 H65A 108.8 . . ?
C66 C65 H65B 108.8 . . ?
C64 C65 C66 113.9(4) . . ?
C64 C65 H65A 108.8 . . ?
C64 C65 H65B 108.8 . . ?
H65A C65 H65B 107.7 . . ?
C61 C62 C63 111.9(5) . . ?
C61 C62 H62A 109.2 . . ?
C61 C62 H62B 109.2 . . ?
C63 C62 H62A 109.2 . . ?
C63 C62 H62B 109.2 . . ?
H62A C62 H62B 107.9 . . ?

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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
W1 P1 C8 C9 49.5(2) . . . . ?
W1 P1 C22 C27 80.4(2) . . . . ?
W1 P1 C22 C23 -151.0(2) . . . . ?
W1 P1 C28 C33 -55.1(3) . . . . ?
W1 P1 C28 C29 173.7(3) . . . . ?
W1 P2 C9 C8 26.9(3) . . . . ?
W1 P2 C16 C17 -69.5(3) . . . . ?
W1 P2 C16 C21 55.0(3) . . . . ?
W1 P2 C10 C15 48.3(3) . . . . ?
W1 P2 C10 C11 177.6(2) . . . . ?
W1 C1 C2 C5 -84.1(10) . . . . ?
W1 C1 C2 C3 33.1(11) . . . . ?
W1 C1 C2 C4 153.6(9) . . . . ?
W2 P4 C41 C42 35.0(3) . . . . ?
W2 P4 C55 C56 65.8(3) . . . . ?
W2 P4 C55 C60 -165.9(2) . . . . ?
W2 P4 C61 C66 -39.9(4) . . . . ?
W2 P4 C61 C62 92.2(5) . . . . ?
W2 P3 C42 C41 48.7(2) . . . . ?
W2 P3 C43 C44 -160.0(3) . . . . ?
W2 P3 C43 C48 70.7(3) . . . . ?
W2 P3 C49 C54 166.1(3) . . . . ?
W2 P3 C49 C50 -63.1(3) . . . . ?
W2 C34 C35 C38 -61.0(12) . . . . ?
W2 C34 C35 C37 -179.8(10) . . . . ?
W2 C34 C35 C36 58.7(13) . . . . ?
Si1 W1 C1 C2 -12.8(12) . . . . ?
P1 W1 C1 C2 -137.7(9) . . . . ?
P1 C8 C9 P2 -50.5(3) . . . . ?
P1 C28 C33 C32 170.4(3) . . . . ?
P1 C28 C29 C30 -169.7(4) . . . . ?
P2 W1 C1 C2 140.9(9) . . . . ?
P2 C10 C15 C14 -170.0(2) . . . . ?
P2 C10 C11 C12 169.7(3) . . . . ?
C7 W1 C1 C2 51.5(10) . . . . ?
C24 C23 C22 P1 176.9(3) . . . . ?
C24 C23 C22 C27 -54.2(4) . . . . ?
C24 C25 C26 C27 57.5(4) . . . . ?
C23 C24 C25 C26 -56.0(4) . . . . ?
C25 C24 C23 C22 54.7(4) . . . . ?
C26 C27 C22 P1 -172.1(2) . . . . ?
C26 C27 C22 C23 56.2(4) . . . . ?
C20 C19 C18 C17 54.8(6) . . . . ?
C20 C21 C16 P2 177.5(3) . . . . ?
C20 C21 C16 C17 -56.9(4) . . . . ?
C18 C17 C16 P2 -177.7(3) . . . . ?
C18 C17 C16 C21 57.1(4) . . . . ?
C18 C19 C20 C21 -54.0(5) . . . . ?
P4 W2 C34 C35 143.0(11) . . . . ?
P4 C55 C56 C57 -170.9(3) . . . . ?
P4 C55 C60 C59 173.5(3) . . . . ?
P4 C61 C62 C63 178.7(4) . . . . ?
P3 W2 C34 C35 -135.4(11) . . . . ?
P3 C42 C41 P4 -55.6(3) . . . . ?
P3 C43 C44 C45 174.2(3) . . . . ?
P3 C43 C48 C47 -170.3(3) . . . . ?
P3 C49 C54 C53 -171.1(3) . . . . ?
P3 C49 C50 C51 170.3(3) . . . . ?
Si2 W2 C34 C35 -7.5(14) . . . . ?
C8 P1 C22 C27 -165.5(2) . . . . ?
C8 P1 C22 C23 -36.9(3) . . . . ?
C8 P1 C28 C33 -172.0(3) . . . . ?
C8 P1 C28 C29 56.9(4) . . . . ?
C9 P2 C16 C17 170.7(3) . . . . ?
C9 P2 C16 C21 -64.8(3) . . . . ?
C9 P2 C10 C15 167.1(2) . . . . ?
C9 P2 C10 C11 -63.5(3) . . . . ?
C6 W1 C1 C2 -39.8(10) . . . . ?
C16 P2 C9 C8 153.5(3) . . . . ?
C16 P2 C10 C15 -87.6(3) . . . . ?
C16 P2 C10 C11 41.8(3) . . . . ?
C16 C17 C18 C19 -56.9(6) . . . . ?
C16 C21 C20 C19 54.7(5) . . . . ?
C10 P2 C9 C8 -97.0(3) . . . . ?
C10 P2 C16 C17 65.1(3) . . . . ?
C10 P2 C16 C21 -170.4(3) . . . . ?
C10 C15 C14 C13 -56.6(4) . . . . ?
C10 C11 C12 C13 56.1(4) . . . . ?
C42 P3 C43 C44 -45.9(3) . . . . ?
C42 P3 C43 C48 -175.1(3) . . . . ?
C42 P3 C49 C54 49.3(3) . . . . ?
C42 P3 C49 C50 -179.9(3) . . . . ?
C15 C10 C11 C12 -58.6(4) . . . . ?
C11 C10 C15 C14 58.6(4) . . . . ?
C41 P4 C55 C56 -175.5(3) . . . . ?
C41 P4 C55 C60 -47.3(3) . . . . ?
C41 P4 C61 C66 -160.7(3) . . . . ?
C41 P4 C61 C62 -28.7(5) . . . . ?
C14 C13 C12 C11 -53.9(5) . . . . ?
C43 P3 C42 C41 -70.1(2) . . . . ?
C43 P3 C49 C54 -61.3(3) . . . . ?
C43 P3 C49 C50 69.6(3) . . . . ?
C43 C44 C45 C46 55.0(5) . . . . ?
C43 C48 C47 C46 -57.8(5) . . . . ?
C22 P1 C8 C9 -68.6(3) . . . . ?
C22 P1 C28 C33 77.7(3) . . . . ?
C22 P1 C28 C29 -53.5(4) . . . . ?
C22 C27 C26 C25 -57.9(4) . . . . ?
C55 P4 C41 C42 -88.5(3) . . . . ?
C55 P4 C61 C66 90.3(3) . . . . ?
C55 P4 C61 C62 -137.7(5) . . . . ?
C55 C56 C57 C58 -57.6(4) . . . . ?
C55 C60 C59 C58 57.4(5) . . . . ?
C49 P3 C42 C41 173.9(2) . . . . ?
C49 P3 C43 C44 64.5(3) . . . . ?
C49 P3 C43 C48 -64.8(3) . . . . ?
C49 C54 C53 C52 -57.2(5) . . . . ?
C49 C50 C51 C52 56.0(5) . . . . ?
C28 P1 C8 C9 175.9(2) . . . . ?
C28 P1 C22 C27 -56.3(3) . . . . ?
C28 P1 C22 C23 72.3(3) . . . . ?
C28 C33 C32 C31 55.1(5) . . . . ?
C28 C29 C30 C31 -57.8(6) . . . . ?
C56 C55 C60 C59 -56.5(4) . . . . ?
C44 C43 C48 C47 56.8(4) . . . . ?
C33 C28 C29 C30 57.5(5) . . . . ?
C33 C32 C31 C30 -55.6(6) . . . . ?
C60 C55 C56 C57 57.3(4) . . . . ?
C48 C43 C44 C45 -55.6(5) . . . . ?
C54 C49 C50 C51 -56.4(5) . . . . ?
C54 C53 C52 C51 57.0(5) . . . . ?
C50 C49 C54 C53 56.7(5) . . . . ?
C50 C51 C52 C53 -56.5(5) . . . . ?
C57 C58 C59 C60 -56.7(5) . . . . ?
C59 C58 C57 C56 56.6(5) . . . . ?
C29 C28 C33 C32 -56.1(5) . . . . ?
C29 C30 C31 C32 56.9(6) . . . . ?
C39 W2 C34 C35 51.3(11) . . . . ?
C40 W2 C34 C35 -39.0(11) . . . . ?
C45 C46 C47 C48 56.4(5) . . . . ?
C47 C46 C45 C44 -54.9(5) . . . . ?
C12 C13 C14 C15 54.1(5) . . . . ?
C66 C61 C62 C63 -50.3(7) . . . . ?
C61 P4 C41 C42 163.0(3) . . . . ?
C61 P4 C55 C56 -66.6(3) . . . . ?
C61 P4 C55 C60 61.7(3) . . . . ?
C61 C66 C65 C64 -49.1(6) . . . . ?
C64 C63 C62 C61 57.0(8) . . . . ?
C63 C64 C65 C66 55.6(7) . . . . ?
C65 C66 C61 P4 -179.5(3) . . . . ?
C65 C66 C61 C62 46.8(6) . . . . ?
C65 C64 C63 C62 -58.1(7) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.253
_oxdiff_exptl_absorpt_empirical_full_min 0.838
