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_2009539
_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 H9 O10 Os3 P'
_chemical_formula_weight         914.7
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_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            4
_cell_length_a                   15.995(5)
_cell_length_b                   12.958(7)
_cell_length_c                   9.732(4)
_cell_measurement_reflns_used    14
_cell_measurement_temperature    298
_cell_measurement_theta_max      18
_cell_measurement_theta_min      3
_cell_volume                     2017.1(15)
_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       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1997
_diffrn_reflns_theta_max         25
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    19.00
_exptl_absorpt_correction_T_max  1.112
_exptl_absorpt_correction_T_min  0.927
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Dark red'
_exptl_crystal_density_diffrn    3.012
_exptl_crystal_description       Needle
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.13
_refine_diff_density_min         -0.97
_refine_ls_goodness_of_fit_obs   1.106
_refine_ls_hydrogen_treatment    'H atoms not located'
_refine_ls_number_parameters     128
_refine_ls_number_reflns         1056
_refine_ls_R_factor_obs          0.0444
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.000429F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0477
_reflns_number_observed          1056
_reflns_number_total             1997
_reflns_observed_criterion       F>6\s(F)
_cod_data_source_file            hu1044.cif
_cod_data_source_block           hu1044_structure_1_of_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.000429F^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) +
0.000429F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2017
_cod_database_code               2009539