Synthesis and Crystal Structure of [RuCl(6-hydroxypicolinato)(2,2′;6′,2″-terpyridine)]·(N,N-dimethylformamide)
NAKAMA, Yukitoshi; NISHIOKA, Takanori; NAKASONE, Takayuki; ASATO, Eiji; KINOSHITA, Isamu; TAKARA, Satoshi; X-ray Structure Analysis Online 26 (2010) 33–; doi:10.2116/xraystruct.26.33

data_1551768
_publ_section_title
;
 Synthesis and Crystal Structure of
 [RuCl(6-hydroxypicolinato)(2,2&#x2032;;6&#x2032;,2&#x2033;-terpyridine)]&#x00B7;(N,N-dimethylformamide)
;
_journal_name_full               'X-ray Structure Analysis Online'
_journal_page_first              33
_journal_paper_doi               10.2116/xraystruct.26.33
_journal_volume                  26
_journal_year                    2010
_chemical_formula_moiety         'C21 H15 Cl N4 O3 Ru, C3 H7 N O'
_chemical_formula_sum            'C24 H22 Cl N5 O4 Ru'
_chemical_formula_weight         580.99
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.112(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.7325(19)
_cell_length_b                   10.0621(10)
_cell_length_c                   15.6422(19)
_cell_measurement_reflns_used    7216
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     2390.6(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      193.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.087
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22775
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.809
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1176.00
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.77
_refine_diff_density_min         -1.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     313
_refine_ls_number_reflns         5400
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.0006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.9500\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1148
_reflns_number_gt                2904
_reflns_number_total             5400
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            26_33_1.cif
_cod_data_source_block           '__takara090826'
_cod_original_formula_sum        'C24 H22 Cl N5 O4 Ru '
_cod_database_code               1551768