<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-biphenyl-2,2'-dicarboxylato-κ^2^<i>O</i>:<i>O</i>']
An, Zhe; Niu, Xian-Chun; Acta Crystallographica Section E 64 (2008) m1547–; doi:10.1107/S1600536808036866

data_2220084
_publ_section_title
<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')nickel(II)]-\m-biphenyl-2,2'-dicarboxylato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           BI2317
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1547
_journal_paper_doi               10.1107/S1600536808036866
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ni (C14 H8 O4) (C10 H8 N2) (H2 O)2]'
_chemical_formula_moiety         'C24 H20 N2 Ni O6'
_chemical_formula_sum            'C24 H20 N2 Ni O6'
_chemical_formula_weight         491.11
_chemical_name_systematic
;<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')nickel(II)]-
\m-biphenyl-2,2'-dicarboxylato-\k^2^<i>O</i>:<i>O</i>']
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                   10.9087(15)
_cell_length_b                   11.214(2)
_cell_length_c                   18.129(3)
_cell_measurement_reflns_used    3953
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      2.14
_cell_volume                     2217.7(6)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11746
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.919
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.208
_refine_diff_density_min         -0.304
_refine_ls_abs_structure_details 'Flack (1983), 1694 Friedel pairs'
_refine_ls_abs_structure_Flack   0.042(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         3953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.051P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.0879
_reflns_number_gt                3351
_reflns_number_total             3953
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2317.cif
_cod_data_source_block           I
_cod_original_cell_volume        2217.6(6)
_cod_database_code               2220084
_cod_database_fobs_code          2220084