{2-[(2-Aminophenyl)iminomethyl]-4-bromophenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}chloridobis(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)
Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Kamarulazizi Ibrahim; Acta Crystallographica Section E 63 (2007) m2269–m2270; doi:10.1107/S160053680703718X

data_2215001
_publ_section_title
;{2-[(2-Aminophenyl)iminomethyl]-4-bromophenolato-\k^3^<i>N</i>,<i>N</i>',<i>O</i>}chloridobis(dimethyl
 sulfoxide-\k<i>S</i>)ruthenium(II)
;
_journal_coeditor_code           BT2450
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2269
_journal_page_last               m2270
_journal_paper_doi               10.1107/S160053680703718X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ru (C13 H10 Br N2 O) Cl (C2 H6 O S)2]'
_chemical_formula_moiety         'C17 H22 Br Cl N2 O3 Ru S2'
_chemical_formula_sum            'C17 H22 Br Cl N2 O3 Ru S2'
_chemical_formula_weight         582.92
_chemical_name_systematic
'{2-[(2-Aminophenyl)iminomethyl]-4-bromophenolato-\k^3^N,N',<i>O</i>}chloridobis(dimethyl sulfoxide-\k<i>S</i>)ruthenium(II)'
_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                115.774(3)
_cell_angle_beta                 101.712(3)
_cell_angle_gamma                98.135(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1302(3)
_cell_length_b                   12.0908(4)
_cell_length_c                   12.2445(6)
_cell_measurement_reflns_used    5964
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.65
_cell_volume                     1024.67(8)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material
;
SHELXTL and PLATON (Spek, 2003)
;
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
;
Bruker SMART APEX II CCD area-detector
;
_diffrn_measurement_method       \w
_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  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0545
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19338
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.65
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.070
_exptl_absorpt_correction_T_max  0.7550
_exptl_absorpt_correction_T_min  0.6856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             580
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.245
_refine_diff_density_min         -0.958
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         5964
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0405
_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^)+(0.048P)^2^+0.8835P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.1046
_reflns_number_gt                4532
_reflns_number_total             5964
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2450.cif
_cod_data_source_block           I
_cod_database_code               2215001
_cod_database_fobs_code          2215001