Synthesis and Characterization of Osmium(IV) Polyhydride Complexes of Stoichiometry (C5Me5)OsH3(L). Crystal Structures of (C5Me5)OsH3(AsPh3) and (C5Me5)OsH3(PPh3)
Gross, Christopher L.; Girolami, Gregory S.; Organometallics 25 (2006) 4792–; doi:10.1021/om060463z

data_4074210
_publ_section_title
;
 Synthesis and Characterization of Osmium(IV) Polyhydride Complexes of
 Stoichiometry (C5Me5)OsH3(L). Crystal Structures of (C5Me5)OsH3(AsPh3)
 and (C5Me5)OsH3(PPh3)
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4792
_journal_paper_doi               10.1021/om060463z
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C28 H33 Os P'
_chemical_formula_weight         590.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.8270(10)
_cell_angle_beta                 101.3590(10)
_cell_angle_gamma                115.2170(10)
_cell_formula_units_Z            2
_cell_length_a                   9.06380(10)
_cell_length_b                   9.1459(2)
_cell_length_c                   16.60030(10)
_cell_measurement_temperature    198(2)
_cell_volume                     1198.47(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 0.915
_diffrn_measured_fraction_theta_max 0.915
_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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7911
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    5.399
_exptl_absorpt_correction_T_max  0.523
_exptl_absorpt_correction_T_min  0.243
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.684
_refine_diff_density_min         -1.175
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     288
_refine_ls_number_reflns         5438
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0130P)^2^+2.0848P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0542
_reflns_number_gt                5174
_reflns_number_total             5438
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060463zsi20060526_113940.cif
_cod_data_source_block           h3abs
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4074210