Osmium(II) complexes of 2-[(arylamido)phenylazo]pyridines. New examples of deamination reactions—X-ray structure and redox propertiesElectronic supplementary information (ESI) available: partial energy level diagrams and molecular orbitals of 1a, 2a and 4a, UV-vis spectra of 4 complexes and cyclic voltammograms of 1b, 2b and 4b. See http://www.rsc.org/suppdata/nj/b1/b108507g/
Das, Chayan; Peng, Shie-Ming; Lee, Gene-Hsiang; Goswami, Sreebrata; New Journal of Chemistry 26 (2002) 222–; doi:10.1039/b108507g

data_7050718
_publ_section_title
;
 Osmium(II) complexes of 2-[(arylamido)phenylazo]pyridines. New
 examples of deamination reactions---X-ray structure and redox
 propertiesElectronic supplementary information (ESI) available:
 partial energy level diagrams and molecular orbitals of 1a, 2a and 4a,
 UV-vis spectra of 4 complexes and cyclic voltammograms of 1b, 2b and
 4b. See http://www.rsc.org/suppdata/nj/b1/b108507g/
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              222
_journal_paper_doi               10.1039/b108507g
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C28 H22 Br N7 Os'
_chemical_formula_weight         726.64
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.36(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.643(2)
_cell_length_b                   14.1915(18)
_cell_length_c                   13.850(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12.00
_cell_measurement_theta_min      9.26
_cell_volume                     2680.8(8)
_computing_cell_refinement       'Enraf-Nonius CAD4'
_computing_data_collection       'Enraf-Nonius CAD4'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0526
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4731
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.05
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.278
_exptl_absorpt_correction_T_max  0.5687
_exptl_absorpt_correction_T_min  0.2181
_exptl_absorpt_correction_type   'empirical used psi-scan'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.938
_refine_diff_density_min         -0.668
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4731
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0281P)^2^+0.0000P] where  P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0717
_reflns_number_gt                3025
_reflns_number_total             4731
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b108507g.txt
_cod_data_source_block           ic7676
_cod_depositor_comments
;
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:

'_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_sg_symbol_H-M      P2(1)/n
_cod_database_code               7050718