<i>catena</i>-Poly[[tetraaquanickel(II)]-μ-(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^8^-[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Liu, Yang-Mei; Cao, Kai; Wang, Feng-Lin; Acta Crystallographica Section E 68 (2012) m960–m961; doi:10.1107/S1600536812027493

data_2235686
_publ_section_title
;
 <i>catena</i>-Poly[[tetraaquanickel(II)]-\m-(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)-\k^2^<i>O</i>^1^:<i>O</i>^8^-[tetraaquanickel(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
;
_journal_coeditor_code           XU5560
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m960
_journal_page_last               m961
_journal_paper_doi               10.1107/S1600536812027493
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ni2 (C18 H4 O10) (C10 H8 N2) (H2 O)8]'
_chemical_formula_moiety         'C28 H28 N2 Ni2 O18'
_chemical_formula_sum            'C28 H28 N2 Ni2 O18'
_chemical_formula_weight         797.94
_chemical_name_systematic
;
<i>catena</i>-Poly[[tetraaquanickel(II)]-
\m-(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)-
\k^2^<i>O</i>^1^:<i>O</i>^8^-[tetraaquanickel(II)]-
\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 92.789(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.6359(16)
_cell_length_b                   21.2426(12)
_cell_length_c                   8.6416(13)
_cell_measurement_reflns_used    1207
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      21.84
_cell_measurement_theta_min      2.54
_cell_volume                     1583.4(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_av_sigmaI/netI    0.0804
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            8595
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.276
_exptl_absorpt_correction_T_max  0.7666
_exptl_absorpt_correction_T_min  0.7164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.864
_refine_diff_density_min         -0.494
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3111
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0650
_refine_ls_R_factor_gt           0.0484
_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^)+(0.04P)^2^+1.66P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0987
_refine_ls_wR_factor_ref         0.1023
_reflns_number_gt                2297
_reflns_number_total             3111
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5560.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2235686
_cod_database_fobs_code          2235686