#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/37/2203750.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_2203750
loop_
_publ_author_name
'Therrien, Bruno'
'Burrell, Anthony K.'
_publ_section_title
Dichloro(η⁶-p-cymene)[η¹-(2,4,6-tri-tert-butylphenyl)phosphine-κP]osmium(II)
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m863
_journal_page_last               m864
_journal_paper_doi               10.1107/S1600536804012474
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Os (C10 H14) Cl2 (C18 H31 P1)]'
_chemical_formula_moiety         'C28 H45 Cl2 Os P'
_chemical_formula_sum            'C28 H45 Cl2 Os P'
_chemical_formula_weight         673.71
_chemical_name_systematic
;
Dichloro(η⁶-p-cymene)[(2,4,6-tri-tert-butylphenyl)phosphine-\kP]osmium
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.6780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.3347(2)
_cell_length_b                   13.0280(2)
_cell_length_c                   31.6125(4)
_cell_measurement_reflns_used    6588
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.72
_cell_measurement_theta_min      1.32
_cell_volume                     6161.58(15)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Siemens SMART 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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            18106
_diffrn_reflns_theta_full        26.72
_diffrn_reflns_theta_max         26.72
_diffrn_reflns_theta_min         1.32
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.378
_exptl_absorpt_correction_T_max  0.8799
_exptl_absorpt_correction_T_min  0.3737
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2704
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.005
_refine_diff_density_min         -1.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         6510
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.193
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0385P)²+8.2375P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0807
_reflns_number_gt                5767
_reflns_number_total             6510
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            dn6138.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2203750
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_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
_atom_site_type_symbol
Os 0.210556(9) 0.591523(12) 0.055462(5) 0.01886(6) Uani d . 1 . . Os
Cl1 0.20290(8) 0.50837(9) -0.01337(3) 0.0310(2) Uani d . 1 . . Cl
Cl2 0.08135(7) 0.68720(8) 0.01823(4) 0.0276(2) Uani d . 1 . . Cl
P 0.10235(7) 0.46941(8) 0.06318(3) 0.0204(2) Uani d . 1 . . P
H2 0.017(3) 0.501(3) 0.0529(14) 0.024 Uiso d . 1 . . H
H1 0.092(3) 0.393(3) 0.0384(15) 0.024 Uiso d . 1 . . H
C1 0.2034(3) 0.8307(4) 0.09602(18) 0.0375(11) Uani d . 1 . . C
H1A 0.1463 0.8147 0.1022 0.056 Uiso calc R 1 . . H
H1B 0.1947 0.8660 0.0688 0.056 Uiso calc R 1 . . H
H1C 0.2365 0.8737 0.1186 0.056 Uiso calc R 1 . . H
C2 0.2546(3) 0.7325(3) 0.09375(14) 0.0261(9) Uani d . 1 . . C
C3 0.3076(3) 0.7224(3) 0.06175(14) 0.0246(9) Uani d . 1 . . C
H3 0.3115 0.7766 0.0431 0.030 Uiso calc R 1 . . H
C4 0.3534(3) 0.6304(3) 0.05863(14) 0.0252(9) Uani d . 1 . . C
H4 0.3874 0.6247 0.0377 0.030 Uiso calc R 1 . . H
C5 0.3492(3) 0.5452(4) 0.08674(16) 0.0287(10) Uani d . 1 . . C
C6 0.2964(3) 0.5575(4) 0.11798(14) 0.0273(9) Uani d . 1 . . C
H6 0.2913 0.5030 0.1363 0.033 Uiso calc R 1 . . H
C7 0.2514(3) 0.6506(4) 0.12210(14) 0.0284(10) Uani d . 1 . . C
H7 0.2194 0.6574 0.1438 0.034 Uiso calc R 1 . . H
C8 0.4017(3) 0.4459(4) 0.0875(2) 0.0436(13) Uani d . 1 . . C
H8 0.3632 0.3896 0.0929 0.052 Uiso calc R 1 . . H
C9 0.4841(4) 0.4477(5) 0.1252(2) 0.0521(15) Uani d . 1 . . C
H9A 0.5152 0.3835 0.1264 0.078 Uiso calc R 1 . . H
H9B 0.4655 0.4582 0.1520 0.078 Uiso calc R 1 . . H
H9C 0.5231 0.5025 0.1209 0.078 Uiso calc R 1 . . H
C10 0.4287(4) 0.4237(5) 0.0452(2) 0.0632(19) Uani d . 1 . . C
H10A 0.3766 0.4244 0.0219 0.095 Uiso calc R 1 . . H
H10B 0.4566 0.3574 0.0467 0.095 Uiso calc R 1 . . H
H10C 0.4700 0.4751 0.0401 0.095 Uiso calc R 1 . . H
C11 0.1206(2) 0.4097(3) 0.11692(13) 0.0189(8) Uani d . 1 . . C
C12 0.1774(3) 0.3214(3) 0.12621(14) 0.0213(8) Uani d . 1 . . C
C13 0.2274(3) 0.3116(3) 0.16844(14) 0.0263(9) Uani d . 1 . . C
H13 0.2671 0.2569 0.1746 0.032 Uiso calc R 1 . . H
C14 0.2216(3) 0.3784(4) 0.20202(14) 0.0265(9) Uani d . 1 A . C
C15 0.1525(3) 0.4504(3) 0.19347(14) 0.0261(9) Uani d . 1 . . C
H15 0.1416 0.4897 0.2163 0.031 Uiso calc R 1 . . H
C16 0.0990(3) 0.4661(3) 0.15219(13) 0.0207(8) Uani d . 1 . . C
C17 0.1775(3) 0.2331(3) 0.09361(15) 0.0268(9) Uani d . 1 . . C
C18 0.2189(4) 0.1350(4) 0.11660(19) 0.0444(13) Uani d . 1 . . C
H18A 0.2105 0.0792 0.0963 0.067 Uiso calc R 1 . . H
H18B 0.1903 0.1191 0.1400 0.067 Uiso calc R 1 . . H
H18C 0.2816 0.1455 0.1279 0.067 Uiso calc R 1 . . H
C19 0.0792(3) 0.2048(3) 0.07328(16) 0.0322(10) Uani d . 1 . . C
H19A 0.0777 0.1471 0.0542 0.048 Uiso calc R 1 . . H
H19B 0.0500 0.2623 0.0571 0.048 Uiso calc R 1 . . H
H19C 0.0489 0.1875 0.0959 0.048 Uiso calc R 1 . . H
C20 0.2304(4) 0.2562(5) 0.05848(19) 0.0495(15) Uani d . 1 . . C
H20A 0.2931 0.2578 0.0714 0.074 Uiso calc R 1 . . H
H20B 0.2122 0.3215 0.0454 0.074 Uiso calc R 1 . . H
H20C 0.2187 0.2037 0.0367 0.074 Uiso calc R 1 . . H
C21 0.0130(3) 0.5322(3) 0.14711(14) 0.0262(9) Uani d . 1 . . C
C22 -0.0664(3) 0.4671(4) 0.12280(17) 0.0330(11) Uani d . 1 . . C
H22A -0.1203 0.5069 0.1185 0.049 Uiso calc R 1 . . H
H22B -0.0725 0.4071 0.1396 0.049 Uiso calc R 1 . . H
H22C -0.0559 0.4467 0.0952 0.049 Uiso calc R 1 . . H
C23 -0.0076(3) 0.5561(4) 0.19176(17) 0.0380(11) Uani d . 1 . . C
H23A 0.0381 0.6001 0.2079 0.057 Uiso calc R 1 . . H
H23B -0.0091 0.4932 0.2074 0.057 Uiso calc R 1 . . H
H23C -0.0645 0.5897 0.1877 0.057 Uiso calc R 1 . . H
C24 0.0167(3) 0.6364(4) 0.12505(16) 0.0330(10) Uani d . 1 . . C
H24A 0.0363 0.6269 0.0985 0.050 Uiso calc R 1 . . H
H24B 0.0579 0.6806 0.1439 0.050 Uiso calc R 1 . . H
H24C -0.0416 0.6670 0.1189 0.050 Uiso calc R 1 . . H
C25 0.2869(4) 0.3701(5) 0.24629(16) 0.0422(11) Uani d DU 1 . . C
C26A 0.2770(7) 0.2587(6) 0.2640(3) 0.053(2) Uani d PDU 0.70 A 1 C
H26A 0.2176 0.2497 0.2685 0.079 Uiso calc PR 0.70 A 1 H
H26B 0.3195 0.2494 0.2910 0.079 Uiso calc PR 0.70 A 1 H
H26C 0.2880 0.2091 0.2433 0.079 Uiso calc PR 0.70 A 1 H
C27A 0.2697(8) 0.4493(8) 0.2791(4) 0.053(3) Uani d PDU 0.70 A 1 C
H27A 0.2782 0.5171 0.2687 0.079 Uiso calc PR 0.70 A 1 H
H27B 0.3107 0.4383 0.3064 0.079 Uiso calc PR 0.70 A 1 H
H27C 0.2095 0.4425 0.2828 0.079 Uiso calc PR 0.70 A 1 H
C28A 0.3819(5) 0.3777(9) 0.2402(3) 0.054(2) Uani d PDU 0.70 A 1 C
H28A 0.3947 0.3198 0.2238 0.081 Uiso calc PR 0.70 A 1 H
H28B 0.4225 0.3784 0.2680 0.081 Uiso calc PR 0.70 A 1 H
H28C 0.3887 0.4398 0.2249 0.081 Uiso calc PR 0.70 A 1 H
C26B 0.3316(18) 0.2659(14) 0.2581(8) 0.077(5) Uani d PDU 0.30 A 2 C
H26D 0.2871 0.2161 0.2611 0.115 Uiso calc PR 0.30 A 2 H
H26E 0.3748 0.2716 0.2850 0.115 Uiso calc PR 0.30 A 2 H
H26F 0.3608 0.2445 0.2357 0.115 Uiso calc PR 0.30 A 2 H
C27B 0.249(2) 0.419(2) 0.2823(9) 0.055(5) Uani d PDU 0.30 A 2 C
H27D 0.2218 0.4838 0.2725 0.082 Uiso calc PR 0.30 A 2 H
H27E 0.2964 0.4301 0.3074 0.082 Uiso calc PR 0.30 A 2 H
H27F 0.2049 0.3745 0.2898 0.082 Uiso calc PR 0.30 A 2 H
C28B 0.3670(14) 0.4428(19) 0.2437(8) 0.072(5) Uani d PDU 0.30 A 2 C
H28D 0.3925 0.4224 0.2198 0.108 Uiso calc PR 0.30 A 2 H
H28E 0.4116 0.4382 0.2702 0.108 Uiso calc PR 0.30 A 2 H
H28F 0.3460 0.5122 0.2394 0.108 Uiso calc PR 0.30 A 2 H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
C6 Os C7 37.81(18) ?
C6 Os C2 67.70(17) ?
C7 Os C2 36.94(17) ?
C6 Os C5 37.64(17) ?
C7 Os C5 68.02(17) ?
C2 Os C5 80.52(16) ?
C6 Os C4 67.10(16) ?
C7 Os C4 78.88(16) ?
C2 Os C4 66.99(16) ?
C5 Os C4 37.54(17) ?
C6 Os C3 79.39(16) ?
C7 Os C3 66.77(16) ?
C2 Os C3 37.51(15) ?
C5 Os C3 67.41(16) ?
C4 Os C3 36.57(16) ?
C6 Os P 93.94(12) ?
C7 Os P 101.33(12) ?
C2 Os P 129.82(11) ?
C5 Os P 113.47(12) ?
C4 Os P 149.16(12) ?
C3 Os P 167.24(11) ?
C6 Os Cl1 129.13(13) ?
C7 Os Cl1 165.59(12) ?
C2 Os Cl1 144.30(12) ?
C5 Os Cl1 97.57(13) ?
C4 Os Cl1 89.74(12) ?
C3 Os Cl1 108.76(11) ?
P Os Cl1 83.91(4) y
C6 Os Cl2 144.97(13) ?
C7 Os Cl2 108.45(12) ?
C2 Os Cl2 87.59(12) ?
C5 Os Cl2 163.48(12) ?
C4 Os Cl2 126.67(12) ?
C3 Os Cl2 96.21(11) ?
P Os Cl2 82.97(4) y
Cl1 Os Cl2 85.41(4) y
C11 P Os 114.57(13) y
C11 P H2 107.3(18) ?
Os P H2 116.2(18) ?
C11 P H1 103(2) ?
Os P H1 118(2) ?
H2 P H1 96(3) ?
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 ?
C7 C2 C3 119.1(4) ?
C7 C2 C1 121.5(4) ?
C3 C2 C1 119.5(4) ?
C7 C2 Os 70.7(3) ?
C3 C2 Os 72.0(2) ?
C1 C2 Os 128.8(3) ?
C4 C3 C2 119.8(4) ?
C4 C3 Os 71.2(2) ?
C2 C3 Os 70.4(2) ?
C4 C3 H3 120.1 ?
C2 C3 H3 120.1 ?
Os C3 H3 130.9 ?
C3 C4 C5 121.8(4) ?
C3 C4 Os 72.2(2) ?
C5 C4 Os 71.0(2) ?
C3 C4 H4 119.1 ?
C5 C4 H4 119.1 ?
Os C4 H4 130.4 ?
C6 C5 C4 117.0(4) ?
C6 C5 C8 117.9(4) ?
C4 C5 C8 125.0(4) ?
C6 C5 Os 69.0(2) ?
C4 C5 Os 71.5(2) ?
C8 C5 Os 133.6(3) ?
C7 C6 C5 121.8(4) ?
C7 C6 Os 72.4(2) ?
C5 C6 Os 73.3(3) ?
C7 C6 H6 119.1 ?
C5 C6 H6 119.1 ?
Os C6 H6 127.3 ?
C2 C7 C6 120.4(4) ?
C2 C7 Os 72.3(3) ?
C6 C7 Os 69.8(2) ?
C2 C7 H7 119.8 ?
C6 C7 H7 119.8 ?
Os C7 H7 130.8 ?
C10 C8 C5 113.3(5) ?
C10 C8 C9 110.6(5) ?
C5 C8 C9 110.0(4) ?
C10 C8 H8 107.6 ?
C5 C8 H8 107.6 ?
C9 C8 H8 107.6 ?
C8 C9 H9A 109.5 ?
C8 C9 H9B 109.5 ?
H9A C9 H9B 109.5 ?
C8 C9 H9C 109.5 ?
H9A C9 H9C 109.5 ?
H9B C9 H9C 109.5 ?
C8 C10 H10A 109.5 ?
C8 C10 H10B 109.5 ?
H10A C10 H10B 109.5 ?
C8 C10 H10C 109.5 ?
H10A C10 H10C 109.5 ?
H10B C10 H10C 109.5 ?
C12 C11 C16 119.0(4) ?
C12 C11 P 119.5(3) ?
C16 C11 P 119.3(3) ?
C13 C12 C11 116.9(4) ?
C13 C12 C17 119.3(4) ?
C11 C12 C17 123.4(4) ?
C14 C13 C12 124.1(4) ?
C14 C13 H13 117.9 ?
C12 C13 H13 117.9 ?
C13 C14 C15 116.5(4) ?
C13 C14 C25 120.9(4) ?
C15 C14 C25 122.6(4) ?
C16 C15 C14 123.0(4) ?
C16 C15 H15 118.5 ?
C14 C15 H15 118.5 ?
C15 C16 C11 117.6(4) ?
C15 C16 C21 119.3(4) ?
C11 C16 C21 122.7(4) ?
C18 C17 C20 106.0(4) ?
C18 C17 C12 111.4(4) ?
C20 C17 C12 114.4(4) ?
C18 C17 C19 105.2(4) ?
C20 C17 C19 111.4(4) ?
C12 C17 C19 108.1(3) ?
C17 C18 H18A 109.5 ?
C17 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C17 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
C17 C19 H19A 109.5 ?
C17 C19 H19B 109.5 ?
H19A C19 H19B 109.5 ?
C17 C19 H19C 109.5 ?
H19A C19 H19C 109.5 ?
H19B C19 H19C 109.5 ?
C17 C20 H20A 109.5 ?
C17 C20 H20B 109.5 ?
H20A C20 H20B 109.5 ?
C17 C20 H20C 109.5 ?
H20A C20 H20C 109.5 ?
H20B C20 H20C 109.5 ?
C24 C21 C23 105.9(4) ?
C24 C21 C22 111.4(4) ?
C23 C21 C22 105.6(4) ?
C24 C21 C16 115.0(3) ?
C23 C21 C16 110.9(4) ?
C22 C21 C16 107.8(3) ?
C21 C22 H22A 109.5 ?
C21 C22 H22B 109.5 ?
H22A C22 H22B 109.5 ?
C21 C22 H22C 109.5 ?
H22A C22 H22C 109.5 ?
H22B C22 H22C 109.5 ?
C21 C23 H23A 109.5 ?
C21 C23 H23B 109.5 ?
H23A C23 H23B 109.5 ?
C21 C23 H23C 109.5 ?
H23A C23 H23C 109.5 ?
H23B C23 H23C 109.5 ?
C21 C24 H24A 109.5 ?
C21 C24 H24B 109.5 ?
H24A C24 H24B 109.5 ?
C21 C24 H24C 109.5 ?
H24A C24 H24C 109.5 ?
H24B C24 H24C 109.5 ?
C28A C25 C27A 110.9(7) ?
C28A C25 C27B 127.0(14) ?
C27A C25 C27B 20.0(12) ?
C28A C25 C26B 72.4(12) ?
C27A C25 C26B 124.7(12) ?
C27B C25 C26B 114.3(15) ?
C28A C25 C14 109.4(5) ?
C27A C25 C14 113.4(6) ?
C27B C25 C14 111.8(14) ?
C26B C25 C14 116.9(10) ?
C28A C25 C28B 33.5(10) ?
C27A C25 C28B 83.2(12) ?
C27B C25 C28B 102.6(14) ?
C26B C25 C28B 103.5(14) ?
C14 C25 C28B 105.8(10) ?
C28A C25 C26A 106.0(6) ?
C27A C25 C26A 109.7(7) ?
C27B C25 C26A 92.2(13) ?
C26B C25 C26A 33.7(11) ?
C14 C25 C26A 107.1(5) ?
C28B C25 C26A 135.4(11) ?
C25 C26A H26A 109.5 ?
C25 C26A H26B 109.5 ?
C25 C26A H26C 109.5 ?
C25 C27A H27A 109.5 ?
C25 C27A H27B 109.5 ?
C25 C27A H27C 109.5 ?
C25 C28A H28A 109.5 ?
C25 C28A H28B 109.5 ?
C25 C28A H28C 109.5 ?
C25 C26B H26D 109.4 ?
C25 C26B H26E 109.5 ?
H26D C26B H26E 109.5 ?
C25 C26B H26F 109.5 ?
H26D C26B H26F 109.5 ?
H26E C26B H26F 109.5 ?
C25 C27B H27D 109.5 ?
C25 C27B H27E 109.5 ?
H27D C27B H27E 109.5 ?
C25 C27B H27F 109.5 ?
H27D C27B H27F 109.5 ?
H27E C27B H27F 109.5 ?
C25 C28B H28D 109.5 ?
C25 C28B H28E 109.5 ?
H28D C28B H28E 109.5 ?
C25 C28B H28F 109.5 ?
H28D C28B H28F 109.5 ?
H28E C28B H28F 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Os C6 2.167(4) y
Os C7 2.201(4) y
Os C2 2.221(4) y
Os C5 2.223(4) y
Os C4 2.229(4) y
Os C3 2.243(4) y
Os P 2.3498(10) y
Os Cl1 2.4103(11) y
Os Cl2 2.4168(10) y
P C11 1.833(4) ?
P H2 1.35(4) ?
P H1 1.25(4) ?
C1 C2 1.512(6) ?
C1 H1A 0.9600 ?
C1 H1B 0.9600 ?
C1 H1C 0.9600 ?
C2 C7 1.401(6) ?
C2 C3 1.435(6) ?
C3 C4 1.403(6) ?
C3 H3 0.9300 ?
C4 C5 1.433(6) ?
C4 H4 0.9300 ?
C5 C6 1.417(6) ?
C5 C8 1.521(6) ?
C6 C7 1.415(7) ?
C6 H6 0.9300 ?
C7 H7 0.9300 ?
C8 C10 1.513(9) ?
C8 C9 1.535(8) ?
C8 H8 0.9800 ?
C9 H9A 0.9600 ?
C9 H9B 0.9600 ?
C9 H9C 0.9600 ?
C10 H10A 0.9600 ?
C10 H10B 0.9600 ?
C10 H10C 0.9600 ?
C11 C12 1.433(5) ?
C11 C16 1.434(6) ?
C12 C13 1.392(6) ?
C12 C17 1.545(6) ?
C13 C14 1.390(6) ?
C13 H13 0.9300 ?
C14 C15 1.397(6) ?
C14 C25 1.535(6) ?
C15 C16 1.395(6) ?
C15 H15 0.9300 ?
C16 C21 1.554(5) ?
C17 C18 1.536(7) ?
C17 C20 1.541(7) ?
C17 C19 1.548(6) ?
C18 H18A 0.9600 ?
C18 H18B 0.9600 ?
C18 H18C 0.9600 ?
C19 H19A 0.9600 ?
C19 H19B 0.9600 ?
C19 H19C 0.9600 ?
C20 H20A 0.9600 ?
C20 H20B 0.9600 ?
C20 H20C 0.9600 ?
C21 C24 1.533(6) ?
C21 C23 1.544(6) ?
C21 C22 1.544(6) ?
C22 H22A 0.9600 ?
C22 H22B 0.9600 ?
C22 H22C 0.9600 ?
C23 H23A 0.9600 ?
C23 H23B 0.9600 ?
C23 H23C 0.9600 ?
C24 H24A 0.9600 ?
C24 H24B 0.9600 ?
C24 H24C 0.9600 ?
C25 C28A 1.514(9) ?
C25 C27A 1.526(10) ?
C25 C27B 1.528(16) ?
C25 C26B 1.531(15) ?
C25 C28B 1.568(16) ?
C25 C26A 1.575(9) ?
C26A H26A 0.9600 ?
C26A H26B 0.9600 ?
C26A H26C 0.9600 ?
C27A H27A 0.9600 ?
C27A H27B 0.9600 ?
C27A H27C 0.9600 ?
C28A H28A 0.9600 ?
C28A H28B 0.9600 ?
C28A H28C 0.9600 ?
C26B H26D 0.9600 ?
C26B H26E 0.9600 ?
C26B H26F 0.9600 ?
C27B H27D 0.9600 ?
C27B H27E 0.9600 ?
C27B H27F 0.9600 ?
C28B H28D 0.9600 ?
C28B H28E 0.9600 ?
C28B H28F 0.9600 ?
