#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/39/2223900.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2223900
loop_
_publ_author_name
'Johns, Paul M.'
'Roper, Warren R.'
'Woodgate, Scott D.'
'Wright, L. James'
_publ_section_title
Carbonylchlorido(1-methylsulfanylpenta-1,3-dien-1-yl-5-ylidene)bis(triphenylphosphane)osmium(II)
_journal_coeditor_code           LH2916
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1319
_journal_paper_doi               10.1107/S1600536809039695
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Os (C6 H7 S) Cl (C18 H15 P)2 (C O)]'
_chemical_formula_moiety         'C43 H37 Cl O Os P2 S'
_chemical_formula_sum            'C43 H37 Cl O Os P2 S'
_chemical_formula_weight         889.38
_chemical_name_systematic
;
Carbonylchlorido(1-methylsulfanylpenta-1,3-dien-1-yl-5-
ylidene)bis(triphenylphosphane)osmium(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 109.9780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.55650(10)
_cell_length_b                   15.7136(2)
_cell_length_c                   18.2264(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      1.63
_cell_volume                     3648.97(8)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       ω
_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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            22209
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    3.747
_exptl_absorpt_correction_T_max  0.738765
_exptl_absorpt_correction_T_min  0.490888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1768
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.008
_refine_diff_density_min         -0.526
_refine_ls_extinction_coef       0.00065(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         7812
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0268P)²+2.9139P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0600
_reflns_number_gt                6032
_reflns_number_total             7812
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh2916.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2223900
_cod_database_fobs_code          2223900
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os Os1 0.503721(7) 0.750195(6) 0.123794(5) 0.01728(5) Uani d . 1 . .
Cl Cl1 0.52137(6) 0.89985(5) 0.17787(4) 0.03293(16) Uani d . 1 . .
P P1 0.35379(5) 0.75535(4) 0.16571(4) 0.02055(14) Uani d . 1 . .
P P2 0.65608(5) 0.75710(4) 0.08534(4) 0.02050(14) Uani d . 1 . .
S S1 0.41485(6) 0.90387(5) 0.00041(4) 0.02726(15) Uani d . 1 . .
O O1 0.6180(2) 0.6574(2) 0.26956(18) 0.0572(7) Uani d . 1 . .
C C1 0.4083(2) 0.79638(18) 0.01381(16) 0.0235(6) Uani d . 1 . .
C C2 0.3413(2) 0.74700(19) -0.04778(18) 0.0314(7) Uani d . 1 . .
H H2A 0.2937 0.7754 -0.0907 0.038 Uiso calc R 1 . .
C C3 0.3422(2) 0.6598(2) -0.04821(18) 0.0351(7) Uani d . 1 . .
H H3A 0.2913 0.6336 -0.0909 0.042 Uiso calc R 1 . .
C C4 0.4089(3) 0.6051(2) 0.00668(19) 0.0353(7) Uani d . 1 . .
H H4A 0.4057 0.5466 -0.0047 0.042 Uiso calc R 1 . .
C C5 0.4789(2) 0.63212(18) 0.07632(18) 0.0280(6) Uani d . 1 . .
H H5A 0.5222 0.5893 0.1069 0.034 Uiso calc R 1 . .
C C6 0.5838(2) 0.6926(2) 0.2226(2) 0.0331(7) Uani d . 1 . .
C C7 0.3395(3) 0.9277(2) -0.10003(18) 0.0413(8) Uani d . 1 . .
H H7A 0.3550 0.9851 -0.1122 0.062 Uiso calc R 1 . .
H H7B 0.2652 0.9229 -0.1079 0.062 Uiso calc R 1 . .
H H7C 0.3577 0.8878 -0.1340 0.062 Uiso calc R 1 . .
C C11 0.3842(2) 0.76453(17) 0.27235(16) 0.0235(6) Uani d . 1 . .
C C12 0.3095(3) 0.7412(2) 0.30511(19) 0.0353(7) Uani d . 1 . .
H H12A 0.2436 0.7214 0.2727 0.042 Uiso calc R 1 . .
C C13 0.3310(3) 0.7467(2) 0.3850(2) 0.0426(9) Uani d . 1 . .
H H13A 0.2797 0.7303 0.4063 0.051 Uiso calc R 1 . .
C C14 0.4268(3) 0.7760(2) 0.43332(18) 0.0374(8) Uani d . 1 . .
H H14A 0.4411 0.7795 0.4875 0.045 Uiso calc R 1 . .
C C15 0.5017(2) 0.8001(2) 0.40201(17) 0.0326(7) Uani d . 1 . .
H H15A 0.5673 0.8203 0.4347 0.039 Uiso calc R 1 . .
C C16 0.4802(2) 0.79462(19) 0.32186(16) 0.0278(6) Uani d . 1 . .
H H16A 0.5316 0.8115 0.3008 0.033 Uiso calc R 1 . .
C C21 0.2689(2) 0.6613(2) 0.14554(17) 0.0290(7) Uani d . 1 . .
C C22 0.3159(3) 0.5816(2) 0.16040(18) 0.0359(7) Uani d . 1 . .
H H22A 0.3894 0.5775 0.1759 0.043 Uiso calc R 1 . .
C C23 0.2570(3) 0.5082(2) 0.1529(2) 0.0493(10) Uani d . 1 . .
H H23A 0.2900 0.4547 0.1634 0.059 Uiso calc R 1 . .
C C24 0.1479(3) 0.5146(3) 0.1294(2) 0.0570(12) Uani d . 1 . .
H H24A 0.1070 0.4652 0.1243 0.068 Uiso calc R 1 . .
C C25 0.1005(3) 0.5922(3) 0.1140(2) 0.0549(11) Uani d . 1 . .
H H25A 0.0270 0.5958 0.0976 0.066 Uiso calc R 1 . .
C C26 0.1597(3) 0.6659(2) 0.12214(19) 0.0406(8) Uani d . 1 . .
H H26A 0.1262 0.7192 0.1119 0.049 Uiso calc R 1 . .
C C31 0.2631(2) 0.8443(2) 0.12691(16) 0.0253(6) Uani d . 1 . .
C C32 0.2611(2) 0.9141(2) 0.17292(19) 0.0314(7) Uani d . 1 . .
H H32A 0.3027 0.9141 0.2261 0.038 Uiso calc R 1 . .
C C33 0.1988(3) 0.9836(2) 0.1415(2) 0.0401(8) Uani d . 1 . .
H H33A 0.1983 1.0304 0.1734 0.048 Uiso calc R 1 . .
C C34 0.1374(2) 0.9848(2) 0.0637(2) 0.0428(9) Uani d . 1 . .
H H34A 0.0958 1.0326 0.0424 0.051 Uiso calc R 1 . .
C C35 0.1373(2) 0.9154(2) 0.0172(2) 0.0409(8) Uani d . 1 . .
H H35A 0.0947 0.9157 -0.0357 0.049 Uiso calc R 1 . .
C C36 0.1997(2) 0.8454(2) 0.04829(18) 0.0335(7) Uani d . 1 . .
H H36A 0.1994 0.7984 0.0163 0.040 Uiso calc R 1 . .
C C41 0.6232(2) 0.78681(19) -0.01726(16) 0.0249(6) Uani d . 1 . .
C C42 0.5683(2) 0.7288(2) -0.07572(18) 0.0325(7) Uani d . 1 . .
H H42A 0.5528 0.6740 -0.0622 0.039 Uiso calc R 1 . .
C C43 0.5370(3) 0.7532(2) -0.1540(2) 0.0442(9) Uani d . 1 . .
H H43A 0.5027 0.7138 -0.1932 0.053 Uiso calc R 1 . .
C C44 0.5558(3) 0.8340(3) -0.1742(2) 0.0459(9) Uani d . 1 . .
H H44A 0.5347 0.8497 -0.2271 0.055 Uiso calc R 1 . .
C C45 0.6055(3) 0.8925(2) -0.1170(2) 0.0426(9) Uani d . 1 . .
H H45A 0.6161 0.9485 -0.1309 0.051 Uiso calc R 1 . .
C C46 0.6399(2) 0.8687(2) -0.03906(19) 0.0321(7) Uani d . 1 . .
H H46A 0.6749 0.9085 -0.0005 0.038 Uiso calc R 1 . .
C C51 0.7660(2) 0.82842(19) 0.13641(17) 0.0265(6) Uani d . 1 . .
C C52 0.7716(2) 0.8719(2) 0.2035(2) 0.0363(8) Uani d . 1 . .
H H52A 0.7183 0.8653 0.2252 0.044 Uiso calc R 1 . .
C C53 0.8567(3) 0.9258(2) 0.2393(2) 0.0502(10) Uani d . 1 . .
H H53A 0.8599 0.9559 0.2846 0.060 Uiso calc R 1 . .
C C54 0.9353(3) 0.9348(2) 0.2086(2) 0.0512(10) Uani d . 1 . .
H H54A 0.9913 0.9723 0.2321 0.061 Uiso calc R 1 . .
C C55 0.9324(3) 0.8887(3) 0.1431(2) 0.0523(10) Uani d . 1 . .
H H55A 0.9878 0.8931 0.1233 0.063 Uiso calc R 1 . .
C C56 0.8481(3) 0.8365(2) 0.1071(2) 0.0413(8) Uani d . 1 . .
H H56A 0.8458 0.8060 0.0623 0.050 Uiso calc R 1 . .
C C61 0.7313(2) 0.65751(18) 0.09802(17) 0.0233(6) Uani d . 1 . .
C C62 0.7491(2) 0.6108(2) 0.03920(18) 0.0320(7) Uani d . 1 . .
H H62A 0.7202 0.6292 -0.0129 0.038 Uiso calc R 1 . .
C C63 0.8093(3) 0.5370(2) 0.0568(2) 0.0389(8) Uani d . 1 . .
H H63A 0.8204 0.5057 0.0164 0.047 Uiso calc R 1 . .
C C64 0.8526(2) 0.5094(2) 0.13256(19) 0.0334(7) Uani d . 1 . .
H H64A 0.8927 0.4592 0.1440 0.040 Uiso calc R 1 . .
C C65 0.8371(3) 0.5558(2) 0.19159(19) 0.0364(7) Uani d . 1 . .
H H65A 0.8668 0.5375 0.2436 0.044 Uiso calc R 1 . .
C C66 0.7779(2) 0.6290(2) 0.17438(18) 0.0353(7) Uani d . 1 . .
H H66A 0.7688 0.6606 0.2153 0.042 Uiso calc R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Os Os -1.2165 7.6030 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C6 Os1 C5 . . 85.91(13) ?
C6 Os1 C1 . . 172.52(12) ?
C5 Os1 C1 . . 87.18(12) ?
C6 Os1 P2 . . 91.54(9) ?
C5 Os1 P2 . . 87.16(8) ?
C1 Os1 P2 . . 90.95(7) ?
C6 Os1 P1 . . 89.25(9) ?
C5 Os1 P1 . . 97.56(8) ?
C1 Os1 P1 . . 88.84(7) ?
P2 Os1 P1 . . 175.26(2) ?
C6 Os1 Cl1 . . 97.00(10) ?
C5 Os1 Cl1 . . 176.00(9) ?
C1 Os1 Cl1 . . 89.78(8) ?
P2 Os1 Cl1 . . 95.48(2) ?
P1 Os1 Cl1 . . 79.78(2) ?
C21 P1 C31 . . 104.19(15) ?
C21 P1 C11 . . 99.96(13) ?
C31 P1 C11 . . 103.00(13) ?
C21 P1 Os1 . . 116.76(10) ?
C31 P1 Os1 . . 115.50(9) ?
C11 P1 Os1 . . 115.31(10) ?
C41 P2 C61 . . 106.08(13) ?
C41 P2 C51 . . 103.53(14) ?
C61 P2 C51 . . 97.81(13) ?
C41 P2 Os1 . . 112.12(9) ?
C61 P2 Os1 . . 114.88(9) ?
C51 P2 Os1 . . 120.54(10) ?
C1 S1 C7 . . 108.06(15) ?
C2 C1 S1 . . 118.7(2) ?
C2 C1 Os1 . . 125.9(2) ?
S1 C1 Os1 . . 115.46(15) ?
C3 C2 C1 . . 123.4(3) ?
C3 C2 H2A . . 118.3 ?
C1 C2 H2A . . 118.3 ?
C2 C3 C4 . . 128.2(3) ?
C2 C3 H3A . . 115.9 ?
C4 C3 H3A . . 115.9 ?
C5 C4 C3 . . 123.3(3) ?
C5 C4 H4A . . 118.3 ?
C3 C4 H4A . . 118.3 ?
C4 C5 Os1 . . 130.0(2) ?
C4 C5 H5A . . 115.0 ?
Os1 C5 H5A . . 115.0 ?
O1 C6 Os1 . . 172.7(4) ?
S1 C7 H7A . . 109.5 ?
S1 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
S1 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C12 C11 C16 . . 118.0(3) ?
C12 C11 P1 . . 119.8(2) ?
C16 C11 P1 . . 122.1(2) ?
C13 C12 C11 . . 120.8(3) ?
C13 C12 H12A . . 119.6 ?
C11 C12 H12A . . 119.6 ?
C14 C13 C12 . . 120.4(3) ?
C14 C13 H13A . . 119.8 ?
C12 C13 H13A . . 119.8 ?
C13 C14 C15 . . 119.7(3) ?
C13 C14 H14A . . 120.1 ?
C15 C14 H14A . . 120.1 ?
C14 C15 C16 . . 119.9(3) ?
C14 C15 H15A . . 120.1 ?
C16 C15 H15A . . 120.1 ?
C11 C16 C15 . . 121.1(3) ?
C11 C16 H16A . . 119.4 ?
C15 C16 H16A . . 119.4 ?
C22 C21 C26 . . 118.4(3) ?
C22 C21 P1 . . 118.3(2) ?
C26 C21 P1 . . 123.2(3) ?
C23 C22 C21 . . 121.5(3) ?
C23 C22 H22A . . 119.3 ?
C21 C22 H22A . . 119.3 ?
C22 C23 C24 . . 119.1(4) ?
C22 C23 H23A . . 120.5 ?
C24 C23 H23A . . 120.5 ?
C25 C24 C23 . . 120.2(3) ?
C25 C24 H24A . . 119.9 ?
C23 C24 H24A . . 119.9 ?
C24 C25 C26 . . 120.7(4) ?
C24 C25 H25A . . 119.7 ?
C26 C25 H25A . . 119.7 ?
C25 C26 C21 . . 120.2(4) ?
C25 C26 H26A . . 119.9 ?
C21 C26 H26A . . 119.9 ?
C32 C31 C36 . . 118.5(3) ?
C32 C31 P1 . . 121.2(2) ?
C36 C31 P1 . . 120.1(2) ?
C33 C32 C31 . . 120.7(3) ?
C33 C32 H32A . . 119.6 ?
C31 C32 H32A . . 119.6 ?
C34 C33 C32 . . 120.5(3) ?
C34 C33 H33A . . 119.7 ?
C32 C33 H33A . . 119.7 ?
C33 C34 C35 . . 119.6(3) ?
C33 C34 H34A . . 120.2 ?
C35 C34 H34A . . 120.2 ?
C34 C35 C36 . . 120.3(3) ?
C34 C35 H35A . . 119.8 ?
C36 C35 H35A . . 119.8 ?
C35 C36 C31 . . 120.3(3) ?
C35 C36 H36A . . 119.8 ?
C31 C36 H36A . . 119.8 ?
C46 C41 C42 . . 118.7(3) ?
C46 C41 P2 . . 121.5(2) ?
C42 C41 P2 . . 119.4(2) ?
C43 C42 C41 . . 119.6(3) ?
C43 C42 H42A . . 120.2 ?
C41 C42 H42A . . 120.2 ?
C44 C43 C42 . . 120.6(3) ?
C44 C43 H43A . . 119.7 ?
C42 C43 H43A . . 119.7 ?
C43 C44 C45 . . 120.1(3) ?
C43 C44 H44A . . 119.9 ?
C45 C44 H44A . . 119.9 ?
C44 C45 C46 . . 120.0(3) ?
C44 C45 H45A . . 120.0 ?
C46 C45 H45A . . 120.0 ?
C45 C46 C41 . . 120.9(3) ?
C45 C46 H46A . . 119.6 ?
C41 C46 H46A . . 119.6 ?
C52 C51 C56 . . 119.0(3) ?
C52 C51 P2 . . 122.6(2) ?
C56 C51 P2 . . 118.4(2) ?
C51 C52 C53 . . 119.9(3) ?
C51 C52 H52A . . 120.0 ?
C53 C52 H52A . . 120.0 ?
C54 C53 C52 . . 120.4(4) ?
C54 C53 H53A . . 119.8 ?
C52 C53 H53A . . 119.8 ?
C53 C54 C55 . . 120.0(3) ?
C53 C54 H54A . . 120.0 ?
C55 C54 H54A . . 120.0 ?
C56 C55 C54 . . 119.7(3) ?
C56 C55 H55A . . 120.1 ?
C54 C55 H55A . . 120.1 ?
C55 C56 C51 . . 120.9(3) ?
C55 C56 H56A . . 119.5 ?
C51 C56 H56A . . 119.5 ?
C62 C61 C66 . . 117.6(3) ?
C62 C61 P2 . . 126.0(2) ?
C66 C61 P2 . . 116.3(2) ?
C61 C62 C63 . . 120.4(3) ?
C61 C62 H62A . . 119.8 ?
C63 C62 H62A . . 119.8 ?
C64 C63 C62 . . 120.7(3) ?
C64 C63 H63A . . 119.6 ?
C62 C63 H63A . . 119.6 ?
C63 C64 C65 . . 119.5(3) ?
C63 C64 H64A . . 120.2 ?
C65 C64 H64A . . 120.2 ?
C64 C65 C66 . . 119.9(3) ?
C64 C65 H65A . . 120.1 ?
C66 C65 H65A . . 120.1 ?
C65 C66 C61 . . 121.8(3) ?
C65 C66 H66A . . 119.1 ?
C61 C66 H66A . . 119.1 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Os1 C6 . 1.976(4) ?
Os1 C1 . 2.109(3) y
Os1 C5 . 2.026(3) y
Os1 P2 . 2.3996(7) ?
Os1 P1 . 2.4047(7) ?
Os1 Cl1 . 2.5293(8) ?
P1 C21 . 1.832(3) ?
P1 C31 . 1.836(3) ?
P1 C11 . 1.850(3) ?
P2 C41 . 1.829(3) ?
P2 C61 . 1.839(3) ?
P2 C51 . 1.843(3) ?
S1 C1 . 1.713(3) ?
S1 C7 . 1.805(3) ?
O1 C6 . 0.992(4) ?
C1 C2 . 1.410(4) y
C2 C3 . 1.370(4) y
C2 H2A . 0.9400 ?
C3 C4 . 1.393(5) y
C3 H3A . 0.9400 ?
C4 C5 . 1.367(4) y
C4 H4A . 0.9400 ?
C5 H5A . 0.9400 ?
C7 H7A . 0.9700 ?
C7 H7B . 0.9700 ?
C7 H7C . 0.9700 ?
C11 C12 . 1.389(4) ?
C11 C16 . 1.389(4) ?
C12 C13 . 1.387(4) ?
C12 H12A . 0.9400 ?
C13 C14 . 1.376(5) ?
C13 H13A . 0.9400 ?
C14 C15 . 1.378(4) ?
C14 H14A . 0.9400 ?
C15 C16 . 1.391(4) ?
C15 H15A . 0.9400 ?
C16 H16A . 0.9400 ?
C21 C22 . 1.389(5) ?
C21 C26 . 1.395(4) ?
C22 C23 . 1.383(4) ?
C22 H22A . 0.9400 ?
C23 C24 . 1.395(6) ?
C23 H23A . 0.9400 ?
C24 C25 . 1.362(6) ?
C24 H24A . 0.9400 ?
C25 C26 . 1.388(5) ?
C25 H25A . 0.9400 ?
C26 H26A . 0.9400 ?
C31 C32 . 1.387(4) ?
C31 C36 . 1.397(4) ?
C32 C33 . 1.379(4) ?
C32 H32A . 0.9400 ?
C33 C34 . 1.378(5) ?
C33 H33A . 0.9400 ?
C34 C35 . 1.380(5) ?
C34 H34A . 0.9400 ?
C35 C36 . 1.385(4) ?
C35 H35A . 0.9400 ?
C36 H36A . 0.9400 ?
C41 C46 . 1.388(4) ?
C41 C42 . 1.406(4) ?
C42 C43 . 1.396(5) ?
C42 H42A . 0.9400 ?
C43 C44 . 1.371(5) ?
C43 H43A . 0.9400 ?
C44 C45 . 1.380(5) ?
C44 H44A . 0.9400 ?
C45 C46 . 1.388(4) ?
C45 H45A . 0.9400 ?
C46 H46A . 0.9400 ?
C51 C52 . 1.380(4) ?
C51 C56 . 1.394(4) ?
C52 C53 . 1.400(4) ?
C52 H52A . 0.9400 ?
C53 C54 . 1.370(6) ?
C53 H53A . 0.9400 ?
C54 C55 . 1.386(6) ?
C54 H54A . 0.9400 ?
C55 C56 . 1.378(5) ?
C55 H55A . 0.9400 ?
C56 H56A . 0.9400 ?
C61 C62 . 1.386(4) ?
C61 C66 . 1.391(4) ?
C62 C63 . 1.392(4) ?
C62 H62A . 0.9400 ?
C63 C64 . 1.373(5) ?
C63 H63A . 0.9400 ?
C64 C65 . 1.374(4) ?
C64 H64A . 0.9400 ?
C65 C66 . 1.376(4) ?
C65 H65A . 0.9400 ?
C66 H66A . 0.9400 ?
