(Acetonitrile)-<i>trans</i>-dichloro-<i>mer</i>-tris[(dimethyl)phenylphosphine]osmium(III); the Kinetically Controlled Electrogenerated Isomer
Yeomans, B. D.; Heath, G. A.; Hockless, D. C. R.; Acta Crystallographica Section C 51 (1995) 1807–1809; doi:10.1107/S0108270195003544

data_2003955
_publ_contact_author
;
Dr. David C. R. Hockless
Research School of Chemistry
Institute of Advanced Studies
Australian National University
ACT 0200
Canberra
Australia
;
_publ_section_title
;(Acetonitrile)-<i>trans</i>-dichloro-<i>mer</i>-tris[(dimethyl)phenylphosphine]osmium(III);
 the Kinetically Controlled Electrogenerated Isomer
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1807
_journal_page_last               1809
_journal_paper_doi               10.1107/S0108270195003544
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C26 H36 Cl2 N Os P3'
_chemical_formula_sum            'C26 H36 Cl2 N Os P3'
_chemical_formula_weight         716.60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.72(2)
_cell_angle_beta                 105.60(2)
_cell_angle_gamma                89.91(2)
_cell_formula_units_Z            2
_cell_length_a                   9.132(2)
_cell_length_b                   12.248(2)
_cell_length_c                   13.622(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      39.7
_cell_measurement_theta_min      32.2
_cell_volume                     1459.7(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1988)
;
_computing_data_reduction
;
TEXSAN (Molecular Structure Corporation, 1993)
;
_computing_publication_material  TEXSAN
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_computing_structure_solution    'PATTY DIRDIF (Beurskens et al., 1992)'
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_diffrn_measurement_device       'Rigaku AFC6S'
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_diffrn_radiation_monochromator  'equatorial graphite'
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_diffrn_standards_number         3
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_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_type
'azimuthal \y scan (North, Phillips & Mathews, 1968)'
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/[\s^2^(Fo^2^)+(0.019Fo^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0622
_refine_ls_wR_factor_obs         0.0610
_reflns_number_observed          4256
_reflns_number_total             5150
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ta1024.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'4Fo^2^/[\s^2^(Fo^2^)+(0.019Fo^2^)^2^]' was changed to 'calc'. New
tag '_refine_ls_weighting_details' was created. The value of the new
tag was set to 'w = 4Fo^2^/[\s^2^(Fo^2^)+(0.019Fo^2^)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               2003955