Bisphenylbis[tetracarbonyl(hydrido)osmio]germane, Ph~2~Ge[Os(CO)~4~H]~2~
Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.; Acta Crystallographica Section C 53 (1997) 22–24; doi:10.1107/S0108270196012061

data_2005855
_publ_contact_author
;
Weng Kee Leong
Department of Chemistry
National University of Singapore
Kent Ridge
Singapore 0511
;
_publ_section_title
;
 Bisphenylbis[tetracarbonyl(hydrido)osmio]germane,
 Ph~2~Ge[Os(CO)~4~H]~2~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              22
_journal_page_last               24
_journal_paper_doi               10.1107/S0108270196012061
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Os2 (H)2 (C O)8 {Ge (C6 H5)2}]'
_chemical_formula_moiety         'C20 H12 Ge O8 Os2'
_chemical_formula_sum            'C20 H12 Ge O8 Os2'
_chemical_formula_weight         833.30
_chemical_name_systematic
;
Di(hydridotetracarbonylosmium)diphenylgermane
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 105.433(14)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   33.775(6)
_cell_length_b                   9.5143(11)
_cell_length_c                   14.987(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      17.00
_cell_measurement_theta_min      15.00
_cell_volume                     4642.4(14)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
'NRCVAX DATRD2 (Gabe, Le Page, Charland, Lee & White, 1989)'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES'
_computing_structure_refinement
'CRYSTALS (Watkin, Carruthers & Betteridge, 1985)'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      294
_diffrn_measurement_device       'Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scan b/P/b'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3227
_diffrn_reflns_theta_max         22.38
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        50
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    12.24
_exptl_absorpt_correction_T_max  0.2593
_exptl_absorpt_correction_T_min  0.1321
_exptl_absorpt_correction_type   'Gaussian integration (Busing & Levy, 1957)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.385
_exptl_crystal_density_meas      ?
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             3040
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.6(2)
_refine_diff_density_min         -1.0(2)
_refine_ls_extinction_coef       0.16(3)
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   3.0
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     215
_refine_ls_number_reflns         2340
_refine_ls_number_restraints     16
_refine_ls_R_factor_obs          0.045
_refine_ls_shift/esd_max         0.11
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0001|Fo|^2^+\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.055
_reflns_number_observed          2340
_reflns_number_total             2995
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            fg1150.cif
_cod_data_source_block           global
_cod_depositor_comments
;
 Marking atoms 'C(100)' and 'C(200)' as dummy atoms.

 Antanas Vaitkus,
 2017-02-19

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_matrix_type' value 'FULL' changed to 'full'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[0.0001|Fo|^2^+\s^2^(Fo)]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[0.0001|Fo|^2^+\s^2^(Fo)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2005855