Ruthenium Complexes of 2-[(4-(Arylamino)phenyl)azo]pyridine Formed via Regioselective Phenyl Ring Amination of Coordinated 2-(Phenylazo)pyridine: Isolation of Products, X-ray Structure, and Redox and Optical Properties
Chayan Das; Amrita Saha; Chen-Hsiung Hung; Gene-Hsiang Lee; Shie-Ming Peng; Sreebrata Goswami; Inorganic Chemistry 42 (2003) 198–204; doi:10.1021/ic0203724

data_4312860
_publ_section_title
;
 Ruthenium Complexes of 2-[(4-(Arylamino)phenyl)azo]pyridine Formed via
 Regioselective Phenyl Ring Amination of Coordinated
 2-(Phenylazo)pyridine: Isolation of Products, X-ray Structure, and Redox
 and Optical Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              198
_journal_page_last               204
_journal_paper_doi               10.1021/ic0203724
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C61 H56 Cl2 N12 O11 Ru'
_chemical_formula_weight         1305.15
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                75.7620(10)
_cell_angle_beta                 80.2070(10)
_cell_angle_gamma                71.4670(10)
_cell_formula_units_Z            2
_cell_length_a                   12.5390(7)
_cell_length_b                   14.5309(8)
_cell_length_c                   18.5892(11)
_cell_measurement_temperature    293(2)
_cell_volume                     3097.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0185
_diffrn_reflns_av_sigmaI/netI    0.0841
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19851
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    0.408
_exptl_absorpt_correction_T_max  0.9486
_exptl_absorpt_correction_T_min  0.7499
_exptl_absorpt_correction_type   'Empirical Used SADABS'
_exptl_crystal_colour            'Dark Brown'
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Thin Plate'
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.206
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     770
_refine_ls_number_reflns         13721
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.924
_refine_ls_R_factor_all          0.1014
_refine_ls_R_factor_gt           0.0658
_refine_ls_shift/su_max          2.746
_refine_ls_shift/su_mean         0.130
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1228P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1946
_refine_ls_wR_factor_ref         0.2116
_reflns_number_gt                7526
_reflns_number_total             13721
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0203724_1.cif
_cod_data_source_block           compd1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_database_code               4312860