#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:12:39 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179681 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/03/7000328.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_7000328
loop_
_publ_author_name
'Adams, Christopher J.'
'Anderson, Kirsty M.'
'Connelly, Neil G.'
'Harding, David J.'
'Hayward, Owen D.'
'Orpen, A. Guy'
'Patrón, Elena'
'Rieger, Philip H.'
_publ_section_title
;
 The d3/d2 alkyne complexes [MX2(η-RCCR)Tp′]z (X =
 halide, z = 0 and 1+): final links in a d6--d2 redox family tree
;
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              530
_journal_page_last               543
_journal_paper_doi               10.1039/b813642d
_journal_year                    2009
_chemical_formula_moiety         'C29 H31.91 B Cl2.09 N6 W, Cl6 Sb'
_chemical_formula_sum            'C29 H31.91 B Cl8.09 N6 Sb W'
_chemical_formula_weight         1067.63
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 96.636(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2104(13)
_cell_length_b                   16.872(2)
_cell_length_c                   22.063(3)
_cell_measurement_reflns_used    201
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.9585
_cell_measurement_theta_min      2.587
_cell_volume                     3775.3(8)
_computing_cell_refinement       'Bruker SMART (Bruker, 1998)'
_computing_data_collection       'Bruker SMART (Bruker, 1998)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1998)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1998)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_sigmaI/netI    0.0806
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            24085
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.363
_exptl_absorpt_correction_T_max  0.647
_exptl_absorpt_correction_T_min  0.520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             2062
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.848
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         8670
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0202P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0622
_refine_ls_wR_factor_ref         0.0716
_reflns_number_gt                5855
_reflns_number_total             8670
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b813642d.txt
_cod_data_source_block           4[SbCl6]
_cod_original_cell_volume        3775.4(8)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7000328
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.413002(19) 0.839048(11) 0.849023(10) 0.02021(6) Uani 1 1 d . . .
Cl1 Cl 0.61488(12) 0.86867(8) 0.90245(6) 0.0308(3) Uani 1 1 d . . .
Cl2 Cl 0.45671(13) 0.85242(7) 0.74792(6) 0.0285(3) Uani 1 1 d . . .
N1 N 0.5026(4) 0.7200(2) 0.84076(19) 0.0222(10) Uani 1 1 d . . .
N2 N 0.4369(4) 0.6536(2) 0.85695(19) 0.0234(10) Uani 1 1 d . . .
C1 C 0.7241(5) 0.7460(3) 0.8037(3) 0.0366(15) Uani 1 1 d . . .
H1A H 0.6833 0.7940 0.7850 0.055 Uiso 1 1 calc R . .
H1B H 0.7691 0.7173 0.7735 0.055 Uiso 1 1 calc R . .
H1C H 0.7881 0.7607 0.8384 0.055 Uiso 1 1 calc R . .
C2 C 0.6204(5) 0.6944(3) 0.8251(2) 0.0275(12) Uani 1 1 d . A .
C3 C 0.6273(5) 0.6137(3) 0.8308(2) 0.0334(14) Uani 1 1 d . . .
H3A H 0.6990 0.5812 0.8225 0.040 Uiso 0.911(5) 1 calc PR A 1
Cl3 Cl 0.7319(5) 0.5416(3) 0.8174(2) 0.049(7) Uani 0.089(5) 1 d PR A 2
C4 C 0.5109(5) 0.5880(3) 0.8511(2) 0.0281(13) Uani 1 1 d . A .
C5 C 0.4676(5) 0.5070(3) 0.8658(3) 0.0384(15) Uani 1 1 d . . .
H5A H 0.3894 0.4925 0.8379 0.058 Uiso 1 1 calc R A .
H5B H 0.4460 0.5056 0.9079 0.058 Uiso 1 1 calc R . .
H5C H 0.5387 0.4692 0.8612 0.058 Uiso 1 1 calc R . .
N3 N 0.2358(4) 0.7807(2) 0.81167(19) 0.0229(10) Uani 1 1 d . . .
N4 N 0.2091(4) 0.7043(2) 0.82995(18) 0.0205(9) Uani 1 1 d . . .
C6 C 0.1274(5) 0.8789(3) 0.7343(3) 0.0343(14) Uani 1 1 d . . .
H6A H 0.1343 0.9223 0.7640 0.051 Uiso 1 1 calc R . .
H6B H 0.0427 0.8823 0.7086 0.051 Uiso 1 1 calc R . .
H6C H 0.1995 0.8828 0.7087 0.051 Uiso 1 1 calc R . .
C7 C 0.1362(5) 0.8010(3) 0.7675(2) 0.0251(12) Uani 1 1 d . . .
C8 C 0.0503(5) 0.7386(3) 0.7580(2) 0.0264(12) Uani 1 1 d . . .
H8A H -0.0269 0.7367 0.7295 0.032 Uiso 1 1 calc R . .
C9 C 0.0967(5) 0.6791(3) 0.7977(2) 0.0263(12) Uani 1 1 d . . .
C10 C 0.0388(5) 0.5989(3) 0.8082(3) 0.0360(14) Uani 1 1 d . . .
H10A H 0.1059 0.5580 0.8053 0.054 Uiso 1 1 calc R . .
H10B H -0.0364 0.5892 0.7773 0.054 Uiso 1 1 calc R . .
H10C H 0.0092 0.5974 0.8489 0.054 Uiso 1 1 calc R . .
N5 N 0.3589(4) 0.7939(2) 0.93198(19) 0.0212(9) Uani 1 1 d . . .
N6 N 0.3188(4) 0.7157(2) 0.93692(18) 0.0197(9) Uani 1 1 d . . .
C11 C 0.4023(5) 0.9085(3) 1.0056(3) 0.0307(13) Uani 1 1 d . . .
H11A H 0.3525 0.9452 0.9772 0.046 Uiso 1 1 calc R . .
H11B H 0.4968 0.9146 1.0026 0.046 Uiso 1 1 calc R . .
H11C H 0.3844 0.9202 1.0473 0.046 Uiso 1 1 calc R . .
C12 C 0.3614(4) 0.8252(3) 0.9896(2) 0.0234(12) Uani 1 1 d . . .
C13 C 0.3263(5) 0.7675(3) 1.0289(2) 0.0261(12) Uani 1 1 d . . .
H13A H 0.3209 0.7731 1.0714 0.031 Uiso 1 1 calc R . .
C14 C 0.3007(5) 0.6999(3) 0.9943(2) 0.0233(12) Uani 1 1 d . . .
C15 C 0.2614(5) 0.6195(3) 1.0150(3) 0.0312(13) Uani 1 1 d . . .
H15A H 0.1763 0.6046 0.9927 0.047 Uiso 1 1 calc R . .
H15B H 0.2538 0.6209 1.0588 0.047 Uiso 1 1 calc R . .
H15C H 0.3284 0.5806 1.0068 0.047 Uiso 1 1 calc R . .
B1 B 0.3026(5) 0.6627(3) 0.8795(3) 0.0225(13) Uani 1 1 d . . .
H1 H 0.2665 0.6097 0.8893 0.027 Uiso 1 1 calc R . .
C16 C 0.2892(5) 0.9296(3) 0.8637(2) 0.0218(11) Uani 1 1 d . . .
C17 C 0.3951(5) 0.9592(3) 0.8441(2) 0.0213(11) Uani 1 1 d . . .
C18 C 0.4707(5) 1.0277(3) 0.8300(2) 0.0217(11) Uani 1 1 d . . .
C19 C 0.5949(5) 1.0192(3) 0.8087(2) 0.0287(13) Uani 1 1 d . . .
H19A H 0.6286 0.9678 0.8021 0.034 Uiso 1 1 calc R . .
C20 C 0.6665(5) 1.0847(3) 0.7976(3) 0.0332(14) Uani 1 1 d . . .
H20A H 0.7501 1.0783 0.7832 0.040 Uiso 1 1 calc R . .
C21 C 0.6198(5) 1.1601(3) 0.8068(2) 0.0318(13) Uani 1 1 d . . .
H21A H 0.6713 1.2050 0.7990 0.038 Uiso 1 1 calc R . .
C22 C 0.4983(5) 1.1700(3) 0.8273(2) 0.0307(13) Uani 1 1 d . . .
H22A H 0.4659 1.2218 0.8334 0.037 Uiso 1 1 calc R . .
C23 C 0.4240(5) 1.1052(3) 0.8391(2) 0.0277(13) Uani 1 1 d . . .
H23A H 0.3407 1.1125 0.8534 0.033 Uiso 1 1 calc R . .
C24 C 0.1595(5) 0.9457(3) 0.8835(2) 0.0252(12) Uani 1 1 d . . .
C25 C 0.1090(5) 1.0229(3) 0.8817(3) 0.0434(17) Uani 1 1 d . . .
H25A H 0.1585 1.0649 0.8669 0.052 Uiso 1 1 calc R . .
C26 C -0.0121(6) 1.0385(3) 0.9011(4) 0.058(2) Uani 1 1 d . . .
H26A H -0.0456 1.0911 0.8995 0.070 Uiso 1 1 calc R . .
C27 C -0.0846(5) 0.9782(3) 0.9229(3) 0.0476(18) Uani 1 1 d . . .
H27A H -0.1670 0.9895 0.9371 0.057 Uiso 1 1 calc R . .
C28 C -0.0379(5) 0.9016(3) 0.9242(3) 0.0387(15) Uani 1 1 d . . .
H28A H -0.0884 0.8598 0.9388 0.046 Uiso 1 1 calc R . .
C29 C 0.0835(5) 0.8855(3) 0.9043(3) 0.0287(13) Uani 1 1 d . . .
H29A H 0.1149 0.8325 0.9048 0.034 Uiso 1 1 calc R . .
Sb1 Sb 0.83424(3) 0.67515(2) 0.052758(16) 0.02586(9) Uani 1 1 d . . .
Cl4 Cl 0.73845(16) 0.80235(9) 0.04153(7) 0.0484(4) Uani 1 1 d . . .
Cl5 Cl 0.75994(14) 0.66576(9) 0.15088(6) 0.0397(3) Uani 1 1 d . . .
Cl6 Cl 0.63661(15) 0.61838(11) 0.00705(8) 0.0534(4) Uani 1 1 d . . .
Cl7 Cl 0.93323(15) 0.54958(8) 0.06765(7) 0.0421(4) Uani 1 1 d . . .
Cl8 Cl 0.91154(14) 0.68553(8) -0.04413(6) 0.0392(4) Uani 1 1 d . . .
Cl9 Cl 1.03200(13) 0.73593(8) 0.09769(7) 0.0348(3) 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C16 W1 C17 37.51(17) . . ?
C16 W1 N5 84.47(17) . . ?
C17 W1 N5 111.95(17) . . ?
C16 W1 N3 83.86(17) . . ?
C17 W1 N3 111.73(17) . . ?
N5 W1 N3 82.76(15) . . ?
C16 W1 N1 164.04(16) . . ?
C17 W1 N1 158.43(16) . . ?
N5 W1 N1 84.07(14) . . ?
N3 W1 N1 83.71(14) . . ?
C16 W1 Cl1 106.94(15) . . ?
C17 W1 Cl1 83.19(14) . . ?
N5 W1 Cl1 86.74(11) . . ?
N3 W1 Cl1 164.17(11) . . ?
N1 W1 Cl1 83.45(11) . . ?
C16 W1 Cl2 105.67(14) . . ?
C17 W1 Cl2 83.04(14) . . ?
N5 W1 Cl2 163.65(11) . . ?
N3 W1 Cl2 85.58(11) . . ?
N1 W1 Cl2 83.29(11) . . ?
Cl1 W1 Cl2 102.06(5) . . ?
C2 N1 N2 106.3(4) . . ?
C2 N1 W1 133.8(3) . . ?
N2 N1 W1 119.8(3) . . ?
C4 N2 N1 110.3(4) . . ?
C4 N2 B1 130.5(4) . . ?
N1 N2 B1 119.2(4) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 109.2(5) . . ?
N1 C2 C1 125.3(5) . . ?
C3 C2 C1 125.5(5) . . ?
C2 C3 C4 107.7(5) . . ?
C2 C3 Cl3 137.5(3) . . ?
C4 C3 Cl3 114.8(3) . . ?
C2 C3 H3A 126.2 . . ?
C4 C3 H3A 126.2 . . ?
N2 C4 C3 106.5(4) . . ?
N2 C4 C5 123.2(5) . . ?
C3 C4 C5 130.3(5) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 N3 N4 106.5(4) . . ?
C7 N3 W1 133.3(3) . . ?
N4 N3 W1 120.1(3) . . ?
C9 N4 N3 108.9(4) . . ?
C9 N4 B1 130.7(4) . . ?
N3 N4 B1 120.3(4) . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N3 C7 C8 109.2(4) . . ?
N3 C7 C6 124.3(4) . . ?
C8 C7 C6 126.6(5) . . ?
C7 C8 C9 107.1(5) . . ?
C7 C8 H8A 126.4 . . ?
C9 C8 H8A 126.4 . . ?
N4 C9 C8 108.3(4) . . ?
N4 C9 C10 121.9(5) . . ?
C8 C9 C10 129.8(5) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 N5 N6 105.4(4) . . ?
C12 N5 W1 133.2(3) . . ?
N6 N5 W1 121.2(3) . . ?
C14 N6 N5 109.8(4) . . ?
C14 N6 B1 130.8(4) . . ?
N5 N6 B1 119.4(4) . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N5 C12 C13 109.4(4) . . ?
N5 C12 C11 123.6(4) . . ?
C13 C12 C11 126.9(5) . . ?
C12 C13 C14 106.4(5) . . ?
C12 C13 H13A 126.8 . . ?
C14 C13 H13A 126.8 . . ?
N6 C14 C13 108.9(4) . . ?
N6 C14 C15 122.8(5) . . ?
C13 C14 C15 128.3(5) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 B1 N4 108.9(4) . . ?
N2 B1 N6 108.2(4) . . ?
N4 B1 N6 108.6(4) . . ?
N2 B1 H1 110.4 . . ?
N4 B1 H1 110.4 . . ?
N6 B1 H1 110.4 . . ?
C17 C16 C24 146.8(5) . . ?
C17 C16 W1 71.4(3) . . ?
C24 C16 W1 141.8(3) . . ?
C16 C17 C18 149.2(5) . . ?
C16 C17 W1 71.1(3) . . ?
C18 C17 W1 139.6(4) . . ?
C19 C18 C23 118.2(4) . . ?
C19 C18 C17 121.0(4) . . ?
C23 C18 C17 120.8(4) . . ?
C20 C19 C18 120.0(5) . . ?
C20 C19 H19A 120.0 . . ?
C18 C19 H19A 120.0 . . ?
C19 C20 C21 121.2(5) . . ?
C19 C20 H20A 119.4 . . ?
C21 C20 H20A 119.4 . . ?
C22 C21 C20 119.9(5) . . ?
C22 C21 H21A 120.1 . . ?
C20 C21 H21A 120.1 . . ?
C23 C22 C21 120.2(5) . . ?
C23 C22 H22A 119.9 . . ?
C21 C22 H22A 119.9 . . ?
C22 C23 C18 120.5(5) . . ?
C22 C23 H23A 119.7 . . ?
C18 C23 H23A 119.7 . . ?
C29 C24 C25 118.2(4) . . ?
C29 C24 C16 121.5(4) . . ?
C25 C24 C16 120.4(4) . . ?
C26 C25 C24 120.6(5) . . ?
C26 C25 H25A 119.7 . . ?
C24 C25 H25A 119.7 . . ?
C27 C26 C25 120.3(5) . . ?
C27 C26 H26A 119.9 . . ?
C25 C26 H26A 119.9 . . ?
C26 C27 C28 120.1(5) . . ?
C26 C27 H27A 119.9 . . ?
C28 C27 H27A 119.9 . . ?
C27 C28 C29 119.7(5) . . ?
C27 C28 H28A 120.1 . . ?
C29 C28 H28A 120.1 . . ?
C24 C29 C28 121.1(5) . . ?
C24 C29 H29A 119.5 . . ?
C28 C29 H29A 119.5 . . ?
Cl6 Sb1 Cl7 91.52(6) . . ?
Cl6 Sb1 Cl4 90.04(6) . . ?
Cl7 Sb1 Cl4 177.86(6) . . ?
Cl6 Sb1 Cl8 90.12(6) . . ?
Cl7 Sb1 Cl8 90.58(5) . . ?
Cl4 Sb1 Cl8 90.88(5) . . ?
Cl6 Sb1 Cl9 178.41(6) . . ?
Cl7 Sb1 Cl9 89.99(5) . . ?
Cl4 Sb1 Cl9 88.46(6) . . ?
Cl8 Sb1 Cl9 89.36(5) . . ?
Cl6 Sb1 Cl5 90.86(5) . . ?
Cl7 Sb1 Cl5 89.43(5) . . ?
Cl4 Sb1 Cl5 89.09(5) . . ?
Cl8 Sb1 Cl5 179.02(5) . . ?
Cl9 Sb1 Cl5 89.66(5) . . ?
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 C16 2.033(5) . ?
W1 C17 2.037(5) . ?
W1 N5 2.114(4) . ?
W1 N3 2.139(4) . ?
W1 N1 2.224(4) . ?
W1 Cl1 2.3080(13) . ?
W1 Cl2 2.3358(13) . ?
N1 C2 1.360(6) . ?
N1 N2 1.374(5) . ?
N2 C4 1.354(6) . ?
N2 B1 1.520(6) . ?
C1 C2 1.489(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.369(7) . ?
C3 C4 1.387(7) . ?
C3 Cl3 1.6677 . ?
C3 H3A 0.9500 . ?
C4 C5 1.485(7) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
N3 C7 1.368(6) . ?
N3 N4 1.387(5) . ?
N4 C9 1.348(6) . ?
N4 B1 1.536(7) . ?
C6 C7 1.502(7) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.370(7) . ?
C8 C9 1.380(7) . ?
C8 H8A 0.9500 . ?
C9 C10 1.505(6) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
N5 C12 1.373(6) . ?
N5 N6 1.390(5) . ?
N6 C14 1.327(6) . ?
N6 B1 1.544(7) . ?
C11 C12 1.497(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.378(6) . ?
C13 C14 1.379(7) . ?
C13 H13A 0.9500 . ?
C14 C15 1.501(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
B1 H1 1.0000 . ?
C16 C17 1.308(6) . ?
C16 C24 1.467(6) . ?
C17 C18 1.444(6) . ?
C18 C19 1.410(6) . ?
C18 C23 1.414(6) . ?
C19 C20 1.363(6) . ?
C19 H19A 0.9500 . ?
C20 C21 1.382(7) . ?
C20 H20A 0.9500 . ?
C21 C22 1.380(7) . ?
C21 H21A 0.9500 . ?
C22 C23 1.372(6) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C29 1.387(6) . ?
C24 C25 1.399(7) . ?
C25 C26 1.381(7) . ?
C25 H25A 0.9500 . ?
C26 C27 1.377(8) . ?
C26 H26A 0.9500 . ?
C27 C28 1.378(7) . ?
C27 H27A 0.9500 . ?
C28 C29 1.389(7) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
Sb1 Cl6 2.3528(15) . ?
Sb1 Cl7 2.3540(14) . ?
Sb1 Cl4 2.3598(15) . ?
Sb1 Cl8 2.3692(14) . ?
Sb1 Cl9 2.3768(14) . ?
Sb1 Cl5 2.3805(14) . ?
