#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:34:11 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179067 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/29/4302900.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_4302900
loop_
_publ_author_name
'Bradley G. Anderson'
'Sarah A. Hoyte'
'John L. Spencer'
_publ_section_title
;
Synthesis and Characterization of the Dinuclear Polyhydrides
[Os2H7(PPhiPr2)4]+ and [Os2H6(PPhiPr2)4]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7977
_journal_page_last               7983
_journal_paper_doi               10.1021/ic900111s
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C48 H82 Os2 P4'
_chemical_formula_sum            'C48 H82 Os2 P4'
_chemical_formula_weight         1163.42
_chemical_name_systematic
tris(μ₂-Hydrido)-trihydrido-tetrakis(diisopropylphenylphosphine)-di-osmium
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 106.994(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.9836(6)
_cell_length_b                   15.1146(5)
_cell_length_c                   18.9267(6)
_cell_measurement_reflns_used    9594
_cell_measurement_temperature    119
_cell_measurement_theta_max      33.32
_cell_measurement_theta_min      2.37
_cell_volume                     4919.9(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'CCDC Mercury'
_computing_publication_material  'CCDC enCIFer'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      119
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            179215
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         34.58
_diffrn_reflns_theta_min         1.18
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.321
_exptl_absorpt_correction_T_max  0.34
_exptl_absorpt_correction_T_min  0.23503758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2328
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.607
_refine_diff_density_min         -1.920
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     810
_refine_ls_number_reflns         19262
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0260P)²+10.9469P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0617
_refine_ls_wR_factor_ref         0.0715
_reflns_number_gt                15035
_reflns_number_total             19263
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900111s_si_001_2.cif
_cod_data_source_block           Os2H6P4
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4302900
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
Os1 Os 0.254481(6) 0.135006(7) 0.631823(6) 0.01343(3) Uani 1 1 d . . .
Os2 Os 0.269723(6) 0.301796(8) 0.624060(6) 0.01436(3) Uani 1 1 d . . .
P1 P 0.26938(4) 0.04725(5) 0.53994(4) 0.01592(14) Uani 1 1 d . . .
P2 P 0.18171(4) 0.05458(5) 0.68864(4) 0.01600(14) Uani 1 1 d . . .
P3 P 0.17207(4) 0.40571(5) 0.60932(4) 0.01725(14) Uani 1 1 d . . .
P4 P 0.39299(5) 0.36259(5) 0.64919(4) 0.01768(14) Uani 1 1 d . . .
C25 C 0.1912(2) 0.5163(2) 0.65201(19) 0.0237(6) Uani 1 1 d . . .
C34 C 0.09559(18) 0.3662(2) 0.65026(17) 0.0203(6) Uani 1 1 d . . .
C14 C 0.04202(18) 0.1398(2) 0.61904(18) 0.0221(6) Uani 1 1 d . . .
C7 C 0.36782(18) 0.0655(2) 0.52710(17) 0.0206(6) Uani 1 1 d . . .
C37 C 0.45099(18) 0.3177(2) 0.59155(18) 0.0204(6) Uani 1 1 d . . .
C13 C 0.08873(18) 0.1084(2) 0.68684(17) 0.0194(6) Uani 1 1 d . . .
C43 C 0.4560(2) 0.3413(2) 0.74440(18) 0.0239(6) Uani 1 1 d . . .
C19 C 0.22968(19) 0.0399(2) 0.79023(17) 0.0229(6) Uani 1 1 d . . .
C22 C 0.14441(19) -0.0612(2) 0.66477(18) 0.0214(6) Uani 1 1 d . . .
C10 C 0.20778(19) 0.0735(2) 0.44373(17) 0.0216(6) Uani 1 1 d . . .
C31 C 0.11401(19) 0.4294(3) 0.51261(18) 0.0256(7) Uani 1 1 d . . .
C38 C 0.4143(2) 0.2989(2) 0.51753(19) 0.0242(6) Uani 1 1 d . . .
C1 C 0.27025(18) -0.0743(2) 0.54443(19) 0.0225(6) Uani 1 1 d . . .
C24 C 0.0920(2) -0.0671(3) 0.5853(2) 0.0272(7) Uani 1 1 d . . .
C4 C 0.2828(3) -0.2588(3) 0.5596(3) 0.0423(11) Uani 1 1 d . . .
H3 H 0.2866 -0.3199 0.5646 0.000 Uiso 1 1 calc R . .
C11 C 0.2264(2) 0.1666(3) 0.42209(19) 0.0262(7) Uani 1 1 d . . .
C26 C 0.2441(2) 0.5249(3) 0.7220(2) 0.0314(8) Uani 1 1 d . . .
C15 C -0.0308(2) 0.1759(2) 0.6115(2) 0.0274(7) Uani 1 1 d . . .
C44 C 0.4673(2) 0.2426(3) 0.7610(2) 0.0291(7) Uani 1 1 d . . .
C23 C 0.1025(2) -0.1017(3) 0.7171(2) 0.0290(7) Uani 1 1 d . . .
C2 C 0.3107(2) -0.1135(2) 0.6118(2) 0.0278(7) Uani 1 1 d . . .
C20 C 0.2604(3) 0.1269(3) 0.8286(2) 0.0341(8) Uani 1 1 d . . .
C30 C 0.1509(2) 0.5925(2) 0.6197(2) 0.0311(8) Uani 1 1 d . . .
C18 C 0.0597(2) 0.1160(3) 0.7477(2) 0.0296(7) Uani 1 1 d . . .
C42 C 0.5317(2) 0.3059(3) 0.6181(2) 0.0315(8) Uani 1 1 d . . .
C8 C 0.3832(2) 0.0147(3) 0.4630(2) 0.0311(8) Uani 1 1 d . . .
C32 C 0.1613(2) 0.4761(3) 0.4682(2) 0.0353(9) Uani 1 1 d . . .
C9 C 0.4342(2) 0.0508(3) 0.5973(2) 0.0288(7) Uani 1 1 d . . .
C36 C 0.0212(2) 0.4206(3) 0.6314(2) 0.0325(8) Uani 1 1 d . . .
C3 C 0.3171(2) -0.2050(3) 0.6191(3) 0.0372(10) Uani 1 1 d . . .
C6 C 0.2367(2) -0.1304(2) 0.4844(2) 0.0310(8) Uani 1 1 d . . .
C16 C -0.0580(2) 0.1827(3) 0.6728(2) 0.0328(8) Uani 1 1 d . . .
C46 C 0.4045(2) 0.4834(2) 0.6361(2) 0.0302(8) Uani 1 1 d . . .
C39 C 0.4561(2) 0.2693(3) 0.4710(2) 0.0317(8) Uani 1 1 d . . .
C21 C 0.2949(2) -0.0287(3) 0.8054(2) 0.0352(9) Uani 1 1 d . . .
C35 C 0.1275(2) 0.3547(3) 0.7335(2) 0.0299(8) Uani 1 1 d . . .
C12 C 0.1208(2) 0.0655(3) 0.4345(2) 0.0291(7) Uani 1 1 d . . .
C33 C 0.0752(2) 0.3461(3) 0.4730(2) 0.0367(9) Uani 1 1 d . . .
C40 C 0.5352(2) 0.2566(3) 0.4979(2) 0.0363(9) Uani 1 1 d . . .
C45 C 0.4247(2) 0.3862(3) 0.8024(2) 0.0319(8) Uani 1 1 d . . .
C41 C 0.5731(2) 0.2750(3) 0.5710(3) 0.0389(9) Uani 1 1 d . . .
C17 C -0.0127(2) 0.1534(3) 0.7401(2) 0.0370(9) Uani 1 1 d . . .
C28 C 0.2155(3) 0.6797(3) 0.7256(3) 0.0436(11) Uani 1 1 d . . .
C27 C 0.2560(3) 0.6057(3) 0.7588(3) 0.0413(10) Uani 1 1 d . . .
C5 C 0.2431(3) -0.2220(3) 0.4930(3) 0.0419(11) Uani 1 1 d . . .
C29 C 0.1640(3) 0.6734(3) 0.6570(3) 0.0417(10) Uani 1 1 d . . .
C48 C 0.3766(3) 0.5078(3) 0.5543(3) 0.0397(10) Uani 1 1 d . . .
C47 C 0.4872(3) 0.5180(3) 0.6692(3) 0.0446(11) Uani 1 1 d . . .
H22 H -0.106(3) 0.207(3) 0.669(2) 0.036(12) Uiso 1 1 d . . .
H41 H 0.223(3) 0.732(3) 0.751(3) 0.044(13) Uiso 1 1 d . . .
H5 H 0.210(2) -0.105(3) 0.438(2) 0.022(10) Uiso 1 1 d . . .
H31 H 0.136(2) -0.109(3) 0.765(2) 0.026(10) Uiso 1 1 d . . .
H2 H 0.344(3) -0.229(3) 0.665(3) 0.048(14) Uiso 1 1 d . . .
H40 H 0.293(3) 0.607(3) 0.802(3) 0.050(14) Uiso 1 1 d . . .
H44 H 0.076(2) 0.469(2) 0.5186(19) 0.016(9) Uiso 1 1 d . . .
H21 H -0.062(3) 0.195(3) 0.568(2) 0.036(12) Uiso 1 1 d . . .
H76 H 0.375(3) 0.572(4) 0.549(3) 0.053(14) Uiso 1 1 d . . .
H46 H 0.126(3) 0.491(3) 0.420(2) 0.039(12) Uiso 1 1 d . . .
H37 H 0.277(3) -0.087(4) 0.787(3) 0.056(15) Uiso 1 1 d . . .
H38 H 0.318(3) -0.035(3) 0.858(2) 0.036(12) Uiso 1 1 d . . .
H28 H 0.080(3) -0.124(3) 0.570(2) 0.036(12) Uiso 1 1 d . . .
H8 H 0.386(2) -0.047(3) 0.470(2) 0.034(12) Uiso 1 1 d . . .
H1 H 0.336(2) -0.073(3) 0.654(2) 0.024(10) Uiso 1 1 d . . .
H30 H 0.081(3) -0.159(3) 0.699(2) 0.040(12) Uiso 1 1 d . . .
H25 H 0.185(3) -0.095(3) 0.668(2) 0.038(12) Uiso 1 1 d . . .
H62 H 0.560(3) 0.317(3) 0.671(3) 0.042(13) Uiso 1 1 d . . .
H70 H 0.374(3) 0.508(3) 0.658(2) 0.041(13) Uiso 1 1 d . . .
H45 H 0.189(3) 0.529(3) 0.494(2) 0.037(12) Uiso 1 1 d . . .
H29 H 0.059(3) -0.066(3) 0.719(2) 0.031(11) Uiso 1 1 d . . .
H63 H 0.504(2) 0.366(3) 0.748(2) 0.028(10) Uiso 1 1 d . . .
H20 H 0.060(2) 0.136(2) 0.5778(19) 0.013(8) Uiso 1 1 d . . .
H60 H 0.564(3) 0.238(3) 0.468(3) 0.043(13) Uiso 1 1 d . . .
H6A H 0.310(3) 0.085(3) 0.685(2) 0.045(13) Uiso 1 1 d . . .
H42 H 0.132(3) 0.721(4) 0.634(3) 0.058(16) Uiso 1 1 d . . .
H43 H 0.118(3) 0.591(3) 0.576(3) 0.041(13) Uiso 1 1 d . . .
H55 H -0.005(3) 0.419(3) 0.580(3) 0.041(12) Uiso 1 1 d . . .
H27 H 0.044(2) -0.034(3) 0.579(2) 0.026(10) Uiso 1 1 d . . .
H66 H 0.502(3) 0.233(3) 0.811(3) 0.044(13) Uiso 1 1 d . . .
H61 H 0.629(3) 0.266(3) 0.591(3) 0.046(13) Uiso 1 1 d . . .
H53 H 0.135(2) 0.408(3) 0.756(2) 0.031(11) Uiso 1 1 d . . .
H19 H 0.110(2) 0.102(3) 0.466(2) 0.019(9) Uiso 1 1 d . . .
H57 H -0.012(3) 0.394(3) 0.657(3) 0.049(14) Uiso 1 1 d . . .
H6 H 0.365(2) 0.130(2) 0.5122(19) 0.016(9) Uiso 1 1 d . . .
H68 H 0.417(3) 0.447(3) 0.795(2) 0.037(12) Uiso 1 1 d . . .
H54 H 0.175(2) 0.322(3) 0.749(2) 0.023(10) Uiso 1 1 d . . .
H51 H 0.085(2) 0.307(2) 0.6298(19) 0.014(8) Uiso 1 1 d . . .
H26 H 0.114(3) -0.045(3) 0.550(2) 0.040(12) Uiso 1 1 d . . .
H11 H 0.440(3) -0.011(3) 0.609(2) 0.035(12) Uiso 1 1 d . . .
H4 H 0.217(3) -0.252(4) 0.451(3) 0.056(15) Uiso 1 1 d . . .
H56 H 0.032(3) 0.482(3) 0.648(2) 0.043(13) Uiso 1 1 d . . .
H67 H 0.375(3) 0.359(3) 0.801(2) 0.030(11) Uiso 1 1 d . . .
H48 H 0.120(3) 0.307(3) 0.465(3) 0.046(13) Uiso 1 1 d . . .
H34 H 0.220(3) 0.168(3) 0.817(2) 0.029(11) Uiso 1 1 d . . .
H24 H 0.090(2) 0.098(3) 0.793(2) 0.026(10) Uiso 1 1 d . . .
H7 H 0.434(3) 0.033(3) 0.457(2) 0.032(11) Uiso 1 1 d . . .
H52 H 0.092(3) 0.327(3) 0.750(2) 0.036(12) Uiso 1 1 d . . .
H59 H 0.428(3) 0.258(3) 0.419(2) 0.039(12) Uiso 1 1 d . . .
H12 H 0.427(2) 0.078(3) 0.643(2) 0.031(11) Uiso 1 1 d . . .
H9 H 0.343(3) 0.022(3) 0.413(2) 0.039(12) Uiso 1 1 d . . .
H10 H 0.485(3) 0.067(3) 0.589(2) 0.037(12) Uiso 1 1 d . . .
H49 H 0.044(3) 0.359(3) 0.426(3) 0.039(12) Uiso 1 1 d . . .
H73 H 0.489(3) 0.578(3) 0.656(2) 0.046(13) Uiso 1 1 d . . .
H64 H 0.418(3) 0.217(3) 0.755(3) 0.042(13) Uiso 1 1 d . . .
H69 H 0.458(2) 0.379(3) 0.849(2) 0.029(11) Uiso 1 1 d . . .
H58 H 0.360(3) 0.306(3) 0.497(2) 0.031(11) Uiso 1 1 d . . .
H47 H 0.197(3) 0.437(3) 0.461(3) 0.047(14) Uiso 1 1 d . . .
H32 H 0.192(2) 0.019(3) 0.809(2) 0.029(11) Uiso 1 1 d . . .
H33 H 0.280(3) 0.119(3) 0.881(3) 0.043(13) Uiso 1 1 d . . .
H50 H 0.046(3) 0.309(4) 0.503(3) 0.058(16) Uiso 1 1 d . . .
H36 H 0.339(3) -0.009(3) 0.786(3) 0.056(15) Uiso 1 1 d . . .
H65 H 0.489(2) 0.213(3) 0.730(2) 0.025(11) Uiso 1 1 d . . .
H72 H 0.505(3) 0.511(4) 0.718(3) 0.056(16) Uiso 1 1 d . . .
H23 H -0.029(3) 0.155(3) 0.780(3) 0.053(15) Uiso 1 1 d . . .
H71 H 0.520(3) 0.488(3) 0.645(3) 0.043(13) Uiso 1 1 d . . .
H35 H 0.305(3) 0.150(3) 0.811(3) 0.048(14) Uiso 1 1 d . . .
H75 H 0.410(3) 0.485(4) 0.529(3) 0.061(17) Uiso 1 1 d . . .
H74 H 0.326(3) 0.488(3) 0.534(3) 0.048(14) Uiso 1 1 d . . .
H39 H 0.273(2) 0.476(3) 0.742(2) 0.031(11) Uiso 1 1 d . . .
H18 H 0.091(2) 0.081(3) 0.386(2) 0.025(10) Uiso 1 1 d . . .
H14 H 0.274(2) 0.168(3) 0.410(2) 0.026(10) Uiso 1 1 d . . .
H16 H 0.187(2) 0.183(3) 0.378(2) 0.029(11) Uiso 1 1 d . . .
H13 H 0.218(2) 0.031(3) 0.410(2) 0.030(11) Uiso 1 1 d . . .
H15 H 0.227(2) 0.208(3) 0.457(2) 0.029(11) Uiso 1 1 d . . .
H17 H 0.104(2) 0.005(3) 0.440(2) 0.032(11) Uiso 1 1 d . . .
H4A H 0.302(2) 0.347(2) 0.6904(19) 0.019(9) Uiso 1 1 d . . .
H1A H 0.286(4) 0.221(4) 0.692(3) 0.08(2) Uiso 1 1 d . . .
H2A H 0.322(3) 0.217(3) 0.609(2) 0.034(12) Uiso 1 1 d . . .
H3A H 0.205(3) 0.228(3) 0.578(2) 0.034(12) Uiso 1 1 d . . .
H5A H 0.255(3) 0.341(4) 0.5589 0.078(18) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Os1 P2 105.29(3) . . ?
P1 Os1 Os2 119.80(2) . . ?
P2 Os1 Os2 130.06(2) . . ?
P1 Os1 H6A 90.6(18) . . ?
P2 Os1 H6A 76.5(19) . . ?
Os2 Os1 H6A 120.4(19) . . ?
P1 Os1 H1A 150(2) . . ?
P2 Os1 H1A 102(2) . . ?
Os2 Os1 H1A 43(2) . . ?
H6A Os1 H1A 85(3) . . ?
P1 Os1 H2A 88.9(13) . . ?
P2 Os1 H2A 164.8(13) . . ?
Os2 Os1 H2A 40.7(13) . . ?
H6A Os1 H2A 98(2) . . ?
H1A Os1 H2A 63(2) . . ?
P1 Os1 H3A 99.9(13) . . ?
P2 Os1 H3A 115.2(14) . . ?
Os2 Os1 H3A 40.7(13) . . ?
H6A Os1 H3A 161(2) . . ?
H1A Os1 H3A 78(2) . . ?
H2A Os1 H3A 66.5(19) . . ?
P3 Os2 P4 113.76(3) . . ?
P3 Os2 Os1 126.11(2) . . ?
P4 Os2 Os1 119.59(2) . . ?
P4 Os2 Os1 119.59(2) . . ?
P3 Os2 H4A 83.0(15) . . ?
P4 Os2 H4A 60.0(15) . . ?
Os1 Os2 H4A 117.1(15) . . ?
P3 Os2 H1A 122(2) . . ?
P4 Os2 H1A 101(2) . . ?
Os1 Os2 H1A 42.0(19) . . ?
H4A Os2 H1A 75(3) . . ?
P3 Os2 H2A 162.0(15) . . ?
P4 Os2 H2A 77.6(15) . . ?
Os1 Os2 H2A 47.3(15) . . ?
H4A Os2 H2A 115(2) . . ?
H1A Os2 H2A 67(2) . . ?
P3 Os2 H3A 90.1(15) . . ?
P4 Os2 H3A 148.7(15) . . ?
Os1 Os2 H3A 45.2(15) . . ?
H4A Os2 H3A 147(2) . . ?
H1A Os2 H3A 82(3) . . ?
H2A Os2 H3A 75(2) . . ?
P3 Os2 H5A 69(3) . . ?
P4 Os2 H5A 86(2) . . ?
Os1 Os2 H5A 120(2) . . ?
H4A Os2 H5A 122(3) . . ?
H1A Os2 H5A 162(3) . . ?
H2A Os2 H5A 99(3) . . ?
H3A Os2 H5A 84(3) . . ?
C1 P1 C7 99.03(14) . . ?
C1 P1 C10 104.50(15) . . ?
C7 P1 C10 98.92(14) . . ?
C1 P1 Os1 123.43(11) . . ?
C7 P1 Os1 109.97(10) . . ?
C10 P1 Os1 116.92(11) . . ?
C13 P2 C19 102.31(14) . . ?
C13 P2 C22 98.48(14) . . ?
C19 P2 C22 99.24(15) . . ?
C13 P2 Os1 113.47(10) . . ?
C19 P2 Os1 113.09(11) . . ?
C22 P2 Os1 126.72(10) . . ?
C25 P3 C31 103.68(16) . . ?
C25 P3 C34 100.04(15) . . ?
C31 P3 C34 101.58(15) . . ?
C25 P3 Os2 121.65(11) . . ?
C31 P3 Os2 115.99(11) . . ?
C34 P3 Os2 111.06(10) . . ?
C37 P4 C43 102.72(15) . . ?
C37 P4 C46 100.28(16) . . ?
C43 P4 C46 103.82(17) . . ?
C37 P4 Os2 113.89(11) . . ?
C43 P4 Os2 114.02(11) . . ?
C46 P4 Os2 119.88(13) . . ?
C26 C25 C30 117.4(3) . . ?
C26 C25 P3 119.3(3) . . ?
C30 C25 P3 123.1(3) . . ?
C35 C34 C36 110.1(3) . . ?
C35 C34 P3 111.5(2) . . ?
C36 C34 P3 115.8(2) . . ?
C15 C14 C13 121.7(3) . . ?
C9 C7 C8 110.0(3) . . ?
C9 C7 P1 113.3(2) . . ?
C8 C7 P1 115.2(2) . . ?
C38 C37 C42 118.1(3) . . ?
C38 C37 P4 119.1(2) . . ?
C42 C37 P4 122.7(3) . . ?
C14 C13 C18 117.3(3) . . ?
C14 C13 P2 117.6(2) . . ?
C18 C13 P2 124.9(3) . . ?
C44 C43 C45 109.9(3) . . ?
C44 C43 P4 112.1(2) . . ?
C45 C43 P4 111.8(3) . . ?
C20 C19 C21 110.1(3) . . ?
C20 C19 P2 112.3(2) . . ?
C21 C19 P2 111.7(2) . . ?
C24 C22 C23 109.5(3) . . ?
C24 C22 P2 111.4(2) . . ?
C23 C22 P2 115.0(2) . . ?
C12 C10 C11 109.8(3) . . ?
C12 C10 P1 112.9(2) . . ?
C11 C10 P1 109.9(2) . . ?
C33 C31 C32 111.0(3) . . ?
C33 C31 P3 111.7(3) . . ?
C32 C31 P3 112.7(3) . . ?
C39 C38 C37 121.2(3) . . ?
C2 C1 C6 117.9(3) . . ?
C2 C1 P1 117.3(3) . . ?
C6 C1 P1 124.7(3) . . ?
C5 C4 C3 120.0(4) . . ?
C27 C26 C25 121.4(4) . . ?
C14 C15 C16 119.7(3) . . ?
C3 C2 C1 121.0(4) . . ?
C29 C30 C25 120.6(4) . . ?
C17 C18 C13 120.8(3) . . ?
C41 C42 C37 120.2(4) . . ?
C4 C3 C2 120.1(4) . . ?
C5 C6 C1 120.2(4) . . ?
C17 C16 C15 119.6(3) . . ?
C48 C46 C47 109.0(4) . . ?
C48 C46 P4 110.8(3) . . ?
C47 C46 P4 114.4(3) . . ?
C40 C39 C38 120.2(4) . . ?
C39 C40 C41 119.7(3) . . ?
C40 C41 C42 120.5(4) . . ?
C16 C17 C18 120.9(3) . . ?
C29 C28 C27 120.0(4) . . ?
C28 C27 C26 119.9(4) . . ?
C4 C5 C6 120.8(4) . . ?
C28 C29 C30 120.7(4) . . ?
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
Os1 P1 2.2645(7) . ?
Os1 P2 2.2736(8) . ?
Os1 Os2 2.54471(18) . ?
Os1 H6A 1.41(4) . ?
Os1 H1A 1.71(6) . ?
Os1 H2A 1.87(4) . ?
Os1 H3A 1.82(4) . ?
Os2 P3 2.3113(8) . ?
Os2 P4 2.3169(8) . ?
Os2 H4A 1.40(4) . ?
Os2 H1A 1.74(6) . ?
Os2 H2A 1.66(4) . ?
Os2 H3A 1.66(4) . ?
Os2 H5A 1.32(3) . ?
P1 C1 1.839(3) . ?
P1 C7 1.876(3) . ?
P1 C10 1.876(3) . ?
P2 C13 1.851(3) . ?
P2 C19 1.877(3) . ?
P2 C22 1.882(3) . ?
P3 C25 1.845(3) . ?
P3 C31 1.858(3) . ?
P3 C34 1.863(3) . ?
P4 C37 1.845(3) . ?
P4 C43 1.855(3) . ?
P4 C46 1.862(4) . ?
C25 C26 1.393(5) . ?
C25 C30 1.402(5) . ?
C34 C35 1.521(5) . ?
C34 C36 1.521(5) . ?
C14 C15 1.387(5) . ?
C14 C13 1.395(5) . ?
C7 C9 1.521(5) . ?
C7 C8 1.528(5) . ?
C37 C38 1.392(5) . ?
C37 C42 1.402(5) . ?
C13 C18 1.401(4) . ?
C43 C44 1.526(5) . ?
C43 C45 1.530(5) . ?
C19 C20 1.526(5) . ?
C19 C21 1.528(5) . ?
C22 C24 1.526(5) . ?
C22 C23 1.536(5) . ?
C10 C12 1.527(5) . ?
C10 C11 1.530(5) . ?
C31 C33 1.525(6) . ?
C31 C32 1.532(5) . ?
C38 C39 1.389(5) . ?
C1 C2 1.402(5) . ?
C1 C6 1.404(5) . ?
C4 C5 1.371(7) . ?
C4 C3 1.380(7) . ?
C26 C27 1.391(5) . ?
C15 C16 1.390(5) . ?
C2 C3 1.392(5) . ?
C30 C29 1.397(6) . ?
C18 C17 1.388(5) . ?
C42 C41 1.398(5) . ?
C6 C5 1.395(6) . ?
C16 C17 1.370(6) . ?
C46 C48 1.527(6) . ?
C46 C47 1.528(6) . ?
C39 C40 1.377(6) . ?
C40 C41 1.379(6) . ?
C28 C29 1.360(7) . ?
C28 C27 1.382(7) . ?
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
P1 Os1 Os2 P3 112.54(3) . . . . ?
P2 Os1 Os2 P3 -38.95(4) . . . . ?
P1 Os1 Os2 P4 -76.49(3) . . . . ?
P2 Os1 Os2 P4 132.03(3) . . . . ?
