<i>trans</i>-(2,2'-Bipyridine)dichlorido[methyl 1-(phenylhydrazono)-1-(phenylimino)acetato]ruthenium(II) dichloromethane solvate
Al-Noaimi, Mousa; El-khateeb, Mohammad; Görls, Helmar; Acta Crystallographica Section E 63 (2007) m2712–m2712; doi:10.1107/S1600536807049239

data_2215799
_publ_section_title
;
 <i>trans</i>-(2,2'-Bipyridine)dichlorido[methyl
 1-(phenylhydrazono)-1-(phenylimino)acetato]ruthenium(II)
 dichloromethane solvate
;
_journal_coeditor_code           BT2529
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2712
_journal_page_last               m2712
_journal_paper_doi               10.1107/S1600536807049239
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Ru Cl2 (C15 H13 N3 O2) (C10 H8 N2)], C H2 Cl2'
_chemical_formula_moiety         'C25 H21 Cl2 N5 O2 Ru, C H2 Cl2'
_chemical_formula_sum            'C26 H23 Cl4 N5 O2 Ru'
_chemical_formula_weight         680.36
_chemical_name_systematic
;
trans-(2,2'-bipyridine)dichlorido[methyl
1-(phenylhydrazono)-1-(phenylimino)acetato]ruthenium(II) dichloromethane
solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 100.858(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1073(7)
_cell_length_b                   11.4851(5)
_cell_length_c                   20.2336(9)
_cell_measurement_reflns_used    18205
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.54
_cell_volume                     2763.2(2)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL/PC (Siemens, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \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  0.1203
_diffrn_reflns_av_sigmaI/netI    0.1406
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            18205
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    0.988
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.178
_refine_diff_density_min         -0.939
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         6319
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1430
_refine_ls_R_factor_gt           0.0664
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0705P)^2^+2.7651P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1692
_reflns_number_gt                3610
_reflns_number_total             6319
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2529.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2215799
_cod_database_fobs_code          2215799