<i>trans</i>-(2,2'-Bipyridine)dichlorido[1-(4-methylphenylimino)-1-(phenylhydrazono)propan-2-one]ruthenium(II) dichloromethane solvate
Al-Noaimi, Mousa; El-khateeb, Mohammad; Görls, Helmar; Acta Crystallographica Section E 63 (2007) m2713–m2713; doi:10.1107/S1600536807049112

data_2215878
_publ_section_title
;<i>trans</i>-(2,2'-Bipyridine)dichlorido[1-(4-methylphenylimino)-1-(phenylhydrazono)propan-2-one]ruthenium(II)
 dichloromethane solvate
;
_journal_coeditor_code           DN2238
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2713
_journal_page_last               m2713
_journal_paper_doi               10.1107/S1600536807049112
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Ru Cl2 (C10 H8 N2) (C16 H15 N3 O)], C H2 Cl2'
_chemical_formula_moiety         'C26 H23 Cl2 N5 O Ru, C H2 Cl2'
_chemical_formula_sum            'C27 H25 Cl4 N5 O Ru'
_chemical_formula_weight         678.39
_chemical_name_systematic
;
trans-(2,2'-Bipyridine)dichlorido[1-(4-methylphenylimino)-1-
(phenylhydrazono)propan-2-one]ruthenium(II) dichloromethane solvate
;
_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
_cell_angle_alpha                106.387(3)
_cell_angle_beta                 104.123(4)
_cell_angle_gamma                99.231(5)
_cell_formula_units_Z            2
_cell_length_a                   8.9994(4)
_cell_length_b                   11.3852(9)
_cell_length_c                   15.0563(12)
_cell_measurement_reflns_used    9663
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      2.69
_cell_volume                     1391.01(18)
_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 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.1244
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9663
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.69
_exptl_absorpt_coefficient_mu    0.979
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red--brown
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.998
_refine_diff_density_min         -0.779
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         6311
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1269
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0565P)^2^+0.6048P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1152
_refine_ls_wR_factor_ref         0.1424
_reflns_number_gt                3840
_reflns_number_total             6311
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2238.cif
_cod_data_source_block           I
_cod_original_cell_volume        1391.01(17)
_cod_database_code               2215878
_cod_database_fobs_code          2215878