(μ-H)(μ-OH)Os~3~(CO)~10~
Knoeppel, D.W.; Chung, J.-H.; Shore, S.G.; Acta Crystallographica Section C 51 (1995) 42–45; doi:10.1107/S0108270194006128

data_2010368
_publ_section_title
;
 (\m-H)(\m-OH)Os~3~(CO)~10~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              42
_journal_page_last               45
_journal_paper_doi               10.1107/S0108270194006128
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         '[Os3 H (OH) (CO)10 ]'
_chemical_formula_sum            'C10 H2 O11 Os3'
_chemical_formula_weight         868.7
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           ' IntTabIV for non-H atoms'
_cell_angle_alpha                90.
_cell_angle_beta                 107.140(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.3470(10)
_cell_length_b                   24.849(6)
_cell_length_c                   9.0010(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213
_cell_measurement_theta_max      15
_cell_measurement_theta_min      12
_cell_volume                     1570.3(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5606
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        -2.2
_diffrn_standards_interval_time  180
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    24.3
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.633
_exptl_absorpt_correction_type   \y-scans
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.674
_exptl_crystal_description       cube
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.726
_refine_diff_density_min         -2.461
_refine_ls_goodness_of_fit_obs   0.947
_refine_ls_hydrogen_treatment    'H atoms not located'
_refine_ls_number_parameters     218
_refine_ls_number_reflns         2165
_refine_ls_R_factor_obs          0.026
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s(I)^2^+0.03(I)^2^]^-1/2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.031
_reflns_number_observed          2165
_reflns_number_total             2714
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            gr1012.cif
_cod_data_source_block           gr1012_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s(I)^2^+0.03(I)^2^]^-1/2^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
[\s(I)^2^+0.03(I)^2^]^-1/2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1570.5
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010368