Photoinduced and Chemical Oxidation of Coordinated Imine to Amide in Isomeric Osmium(II) Complexes of N-Arylpyridine-2-carboxaldimines. Synthesis, Characterization, Electron Transfer Properties, and Structural Studies
Amit K. Ghosh; Kunal K. Kamar; Parimal Paul; Shie-Ming Peng; Gene-Hsiang Lee; Sreebrata Goswami; Inorganic Chemistry 41 (2002) 6343–6350; doi:10.1021/ic020454s

data_4318921
_publ_section_title
;
 Photoinduced and Chemical Oxidation of Coordinated Imine to Amide in
 Isomeric Osmium(II) Complexes of N-Arylpyridine-2-carboxaldimines.
 Synthesis, Characterization, Electron Transfer Properties, and Structural
 Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6343
_journal_page_last               6350
_journal_paper_doi               10.1021/ic020454s
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C26 H24 Br2 N4 O2 Os'
_chemical_formula_weight         774.51
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_volume                     2599.8(8)
_computing_cell_refinement       'Enraf-Nonius CAD4'
_computing_data_collection       'Enraf-Nonius CAD4'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       '\w--2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
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_exptl_absorpt_coefficient_mu    8.009
_exptl_absorpt_correction_T_max  0.5565
_exptl_absorpt_correction_T_min  0.1284
_exptl_absorpt_correction_type   'empirical used psi-scan'
_exptl_crystal_colour            black
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       plate
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0624P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1018
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_reflns_number_gt                2930
_reflns_number_total             4581
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020454s_1.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z 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 
;
_cod_original_cell_volume        2600.0(8)
_cod_database_code               4318921