<i>catena</i>-Poly[nickel(II)-bis(μ-3,7-dichloroquinoline-8-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>')]
Yun-Huai Zhang; Feng-Jing Wu; Xue-Ming Li; Mao-Chuan Zhu; Yun Gong; Acta Crystallographica Section E 63 (2007) m1557–m1557; doi:10.1107/S160053680702082X

data_2213910
_publ_section_title
<i>catena</i>-Poly[nickel(II)-bis(\m-3,7-dichloroquinoline-8-carboxylato-\k^3^<i>N</i>,<i>O</i>:<i>O</i>')]
_journal_coeditor_code           NG2259
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1557
_journal_page_last               m1557
_journal_paper_doi               10.1107/S160053680702082X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni (C10 H4 Cl2 N O2)2]'
_chemical_formula_moiety         'C20 H8 Cl4 N2 Ni O4'
_chemical_formula_sum            'C20 H8 Cl4 N2 Ni O4'
_chemical_formula_weight         540.79
_chemical_name_systematic
;
catena-Poly[nickel(II)-bis(\m-3,7-dichloroquinoline-8-carboxylato-
\k^3^<i>N</i>,<i>O</i>:<i>O</i>')]
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4603(14)
_cell_length_b                   15.8837(19)
_cell_length_c                   9.2040(13)
_cell_measurement_reflns_used    9136
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      1.98
_cell_volume                     1967.8(4)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_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  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9136
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    1.562
_exptl_absorpt_correction_T_max  0.76
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.703
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         1736
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0309
_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^)+(0.0301P)^2^+3.058P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0853
_reflns_number_gt                1407
_reflns_number_total             1736
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2259.cif
_cod_data_source_block           I
_cod_database_code               2213910
_cod_database_fobs_code          2213910