(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dichlorido(dimethyl sulfoxide-κ<i>O</i>)zinc(II)
Marjani, Katayoun; Mousavi, Mohsen; Khavasi, Hamid Reza; Ansari, Maryam; Qumi, Hamid Reza; Acta Crystallographica Section E 63 (2007) m2645–m2645; doi:10.1107/S1600536807047320

data_2216101
_publ_section_title
;
 (2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')dichlorido(dimethyl
 sulfoxide-\k<i>O</i>)zinc(II)
;
_journal_coeditor_code           RK2047
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2645
_journal_page_last               m2645
_journal_paper_doi               10.1107/S1600536807047320
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn Cl2 (C10 H8 N2) (C2 H6 O S)]'
_chemical_formula_moiety         'C12 H14 Cl2 N2 O S Zn'
_chemical_formula_sum            'C12 H14 Cl2 N2 O S Zn'
_chemical_formula_weight         370.61
_chemical_melting_point          593
_chemical_name_systematic
;
(2,2'-Bipyridine-\k^2^N,N')dichlorido(dimethyl sulfoxide-\kO)zinc(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           SHELXL97
_cell_angle_alpha                84.042(16)
_cell_angle_beta                 86.787(17)
_cell_angle_gamma                83.798(17)
_cell_formula_units_Z            2
_cell_length_a                   7.9553(17)
_cell_length_b                   9.5504(19)
_cell_length_c                   10.003(2)
_cell_measurement_temperature    293(2)
_cell_volume                     750.7(3)
_computing_cell_refinement       '<i>X-AREA</i> (Stoe & Cie, 2005)'
_computing_data_collection       '<i>X-AREA</i> (Stoe & Cie, 2005)'
_computing_data_reduction        '<i>X-AREA</i> (Stoe & Cie, 2005)'
_computing_molecular_graphics    '<i>ORTEP-3</i> (Farrugia, 1997)'
_computing_publication_material  '<i>WinGX</i> (Farrugia, 1999)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 1997)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.15
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Stoe IPDSII'
_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  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7002
_diffrn_reflns_theta_full        27.93
_diffrn_reflns_theta_max         27.93
_diffrn_reflns_theta_min         2.05
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.122
_exptl_absorpt_correction_T_max  0.380
_exptl_absorpt_correction_T_min  0.360
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             376
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.45
_refine_diff_density_max         0.536
_refine_diff_density_min         -0.483
_refine_ls_extinction_coef       0.127(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     '<i>SHELXL97<i> (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     175
_refine_ls_number_reflns         3420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0362P)^2^+0.2984P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0788
_refine_ls_wR_factor_ref         0.0795
_reflns_number_gt                3325
_reflns_number_total             3420
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2047.cif
_cod_data_source_block           I
_cod_database_code               2216101
_cod_database_fobs_code          2216101