<i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'] 3,3'-(<i>p</i>-phenylene)diacrylate]
Li, Ni-Ya; Acta Crystallographica Section E 67 (2011) m1397–; doi:10.1107/S1600536811036993

data_2231853
_publ_section_title
;
 <i>catena</i>-Poly[[[tetraaquanickel(II)]-\m-4,4'-bipyridyl-\k^2^<i>N</i>:<i>N</i>']
 3,3'-(<i>p</i>-phenylene)diacrylate]
;
_journal_coeditor_code           CV5150
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1397
_journal_paper_doi               10.1107/S1600536811036993
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ni (C10 H8 N2) (H2 O)4] (C12 H8 O4)'
_chemical_formula_moiety         'C10 H16 N2 Ni O4 2+, C12 H8 O4 2-'
_chemical_formula_sum            'C22 H24 N2 Ni O8'
_chemical_formula_weight         503.12
_chemical_name_systematic
;
<i>catena</i>-Poly[[[tetraaquanickel(II)]-\m-4,4'-bipyridyl-
\k^2^<i>N</i>:<i>N</i>'] 3,3'-(<i>p</i>-phenylene)diacrylate]
;
_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           SHELXL-97
_cell_angle_alpha                95.51(3)
_cell_angle_beta                 102.51(3)
_cell_angle_gamma                97.27(3)
_cell_formula_units_Z            1
_cell_length_a                   7.0867(14)
_cell_length_b                   7.3614(15)
_cell_length_c                   10.418(2)
_cell_measurement_reflns_used    2063
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.1879
_cell_volume                     522.0(2)
_computing_cell_refinement       'CrystalClear (Rigaku, 2001)'
_computing_data_collection       'CrystalClear (Rigaku, 2001)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Mercury CCD area-detector'
_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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4910
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.19
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_T_max  0.7910
_exptl_absorpt_correction_T_min  0.6943
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Jacobson, 1998)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             262
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.363
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     167
_refine_ls_number_reflns         1884
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0262
_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^)+(0.0333P)^2^+0.2568P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0659
_refine_ls_wR_factor_ref         0.0668
_reflns_number_gt                1807
_reflns_number_total             1884
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv5150.cif
_cod_data_source_block           I
_cod_database_code               2231853
_cod_database_fobs_code          2231853