A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands
Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.; Acta Crystallographica Section C 50 (1994) 371–375; doi:10.1107/S010827019300767X

data_2009541
_publ_section_title
;
 A series of osmium carbonyl complexes with related terminal, bridging
 and capping phosphorus ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              371
_journal_page_last               375
_journal_paper_doi               10.1107/S010827019300767X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C10 H5 O9 Os3 P'
_chemical_formula_weight         870.7
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_atom_type_scat_source           'Cromer & Mann (1968) or inlaid'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   17.108(4)
_cell_length_b                   14.229(4)
_cell_length_c                   14.485(9)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    298
_cell_measurement_theta_max      21
_cell_measurement_theta_min      3
_cell_volume                     3526(3)
_computing_structure_solution
;SHELXS84 (Sheldrick, 1984), SHELX76 (Sheldrick, 1976) and SHELXS86
(Sheldrick, 1986)
;
_diffrn_measurement_device       'Stoe Stadi-2 two-circle'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3296
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  720
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    21.73
_exptl_absorpt_correction_T_max  0.125
_exptl_absorpt_correction_T_min  0.010
_exptl_absorpt_correction_type   semi-empirical
_exptl_crystal_colour            'Dark red'
_exptl_crystal_density_diffrn    3.280
_exptl_crystal_description       Spheroid
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.38
_refine_diff_density_min         -1.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.076
_refine_ls_hydrogen_treatment    'H atoms not refined'
_refine_ls_number_parameters     113
_refine_ls_number_reflns         1989
_refine_ls_R_factor_obs          0.0430
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^F + 0.0008F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0526
_reflns_number_observed          1989
_reflns_number_total             3296
_reflns_observed_criterion       F>6\s(F)
_cod_data_source_file            hu1044.cif
_cod_data_source_block           hu1044_structure_3_of_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/(\s^2^F + 0.0008F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/(\s^2^F +
0.0008F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3526
_cod_database_code               2009541