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_2009540
_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            'C12 H7 O10 Os3 P'
_chemical_formula_weight         912.7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'Cromer & Mann (1968) or inlaid'
_cell_angle_alpha                90.0
_cell_angle_beta                 103.40(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.860(3)
_cell_length_b                   16.408(11)
_cell_length_c                   13.779(11)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    298
_cell_measurement_theta_max      9
_cell_measurement_theta_min      7
_cell_volume                     1949(2)
_diffrn_measurement_device       'Stoe Stadi-4 four-circle'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2646
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    19.67
_exptl_absorpt_correction_T_max  0.055
_exptl_absorpt_correction_T_min  0.007
_exptl_absorpt_correction_type   semi-empirical
_exptl_crystal_colour            'Dark red'
_exptl_crystal_density_diffrn    3.111
_exptl_crystal_description       Lath
_exptl_crystal_size_max          0.86
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.35
_refine_diff_density_max         1.19
_refine_diff_density_min         -2.85
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.620
_refine_ls_hydrogen_treatment    'H atoms not located'
_refine_ls_number_parameters     175
_refine_ls_number_reflns         2106
_refine_ls_R_factor_obs          0.0376
_refine_ls_shift/esd_max         0.08
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^F + 0.0071F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0524
_reflns_number_observed          2106
_reflns_number_total             2646
_reflns_observed_criterion       F>6\s(F)
_cod_data_source_file            hu1044.cif
_cod_data_source_block           hu1044_structure_2_of_3
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/(\s^2^F + 0.0071F^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 +
0.0071F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1949
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009540