(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(salicylato-κ^2^<i>O</i>,<i>O</i>')zinc(II)
Lemoine, Pascale; Bendada, Karima; Viossat, Bernard; Acta Crystallographica Section C 60 (2004) m489–m491; doi:10.1107/S0108270104016956

data_2014477
_publ_section_title
(2,2'-Bipyridyl-\k^2^<i>N</i>,<i>N</i>')bis(salicylato-\k^2^<i>O</i>,<i>O</i>')zinc(II)
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m489
_journal_page_last               m491
_journal_paper_doi               10.1107/S0108270104016956
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Zn (C7 H5 O3)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C24 H18 N2 O6 Zn'
_chemical_formula_sum            'C24 H18 N2 O6 Zn'
_chemical_formula_weight         495.77
_chemical_name_systematic
;
(2,2'-Bipyridyl-\k^2^N,N')bis(salicylato-\k^2^O,O')zinc(II)
;
_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                 101.20(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.642(4)
_cell_length_b                   16.635(3)
_cell_length_c                   17.354(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      8.92
_cell_measurement_theta_min      1.70
_cell_volume                     2164.1(13)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_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  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0770
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7380
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.39
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.180
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_correction_T_min  0.854
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'via multi-scan (SADABS; Sheldrick, 1996; Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_meas      1.510(10)
_exptl_crystal_density_method    'flotation in CCl~4~-CHCl~3~'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.353
_refine_diff_density_min         -0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         3783
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0415P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0910
_refine_ls_wR_factor_ref         0.1063
_reflns_number_gt                2350
_reflns_number_total             3783
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ga1065.cif
_cod_data_source_block           I
_cod_original_cell_volume        2164(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2014477
_cod_database_fobs_code          2014477