<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido[2-(2-pyridyl)-1,8-naphthyridine-κ<i>N</i>^1^,<i>N</i>^2^]ruthenium(II)
Oyama, Dai; Hamada, Takashi; Acta Crystallographica Section E 64 (2008) m442–m443; doi:10.1107/S1600536808003188

data_2217794
_publ_section_title
<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido[2-(2-pyridyl)-1,8-naphthyridine-\k<i>N</i>^1^,<i>N</i>^2^]ruthenium(II)
_journal_coeditor_code           IS2275
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m442
_journal_page_last               m443
_journal_paper_doi               10.1107/S1600536808003188
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ru Cl2 (C13 H9 N3) (C O)2]'
_chemical_formula_moiety         'C15 H9 Cl2 N3 O2 Ru'
_chemical_formula_sum            'C15 H9 Cl2 N3 O2 Ru'
_chemical_formula_weight         435.23
_chemical_name_systematic        \k<i>N</i>^1^,<i>N</i>^2^]ruthenium(II)
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 114.082(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            16
_cell_length_a                   16.6297(14)
_cell_length_b                   21.6048(14)
_cell_length_c                   19.0585(16)
_cell_measurement_reflns_used    13888
_cell_measurement_temperature    173.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     6251.4(9)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2001)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2001)'
_computing_data_reduction        'TEXSAN (Rigaku/MSC, 2000)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'CrystalStructure (Rigaku/MSC, 2004)'
_computing_structure_refinement  'TEXSAN (Rigaku/MSC, 2000)'
_computing_structure_solution    'DIRDIF94 (Beurskens <i>et al.</i>,  1994)'
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 1.348
_diffrn_measured_fraction_theta_max 1.348
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            49009
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.356
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow--green
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3424.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.43
_refine_diff_density_min         -1.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.502
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     829
_refine_ls_number_reflns         14038
_refine_ls_R_factor_gt           0.0779
_refine_ls_shift/su_max          0.0013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.001Fo^2^ + 3\s(Fo^2^) + 0.5]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1520
_reflns_number_gt                12059
_reflns_number_total             14039
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            is2275.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2217794
_cod_database_fobs_code          2217794