Poly[[diaquanickel(II)]-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ-<i>p</i>-phenylenedioxydiacetato-κ^2^<i>O</i>:<i>O</i>']
Licai Zhu; Hebing Zhu; Feng Sun; Acta Crystallographica Section E 64 (2008) m57–m57; doi:10.1107/S1600536807062794

data_2217014
_publ_section_title
Poly[[diaquanickel(II)]-\m~2~-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>'-\m-<i>p</i>-phenylenedioxydiacetato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           DN2287
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m57
_journal_page_last               m57
_journal_paper_doi               10.1107/S1600536807062794
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ni (C10 H8 O6) (C10 H8 N2) (H2 O)2]'
_chemical_formula_moiety         'C20 H20 N2 Ni O8'
_chemical_formula_sum            'C20 H20 N2 Ni O8'
_chemical_formula_weight         475.09
_chemical_name_systematic
;
Poly[[diaquanickel(II)]-\m~2~-4,4'-bipyridine-\k^2^N:N'-
\m-p-phenylenedioxydiacetato-\k^2^O:O']
;
_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           SHELXL97
_cell_angle_alpha                106.1570(10)
_cell_angle_beta                 96.8180(10)
_cell_angle_gamma                97.3410(10)
_cell_formula_units_Z            1
_cell_length_a                   5.75410(10)
_cell_length_b                   8.17040(10)
_cell_length_c                   10.6437(2)
_cell_measurement_reflns_used    1800
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      1.36
_cell_volume                     470.399(14)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics
;
ORTEPIII within PLATON (Spek, 2003) and CAMERON (Watkin <i>et al.</i>,
1993)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0269
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6907
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.02
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.087
_exptl_absorpt_correction_T_max  0.8201
_exptl_absorpt_correction_T_min  0.7653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             246
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.320
_refine_diff_density_min         -0.380
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1952
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0381
_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^)+(0.0346P)^2^+0.4701P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0860
_reflns_number_gt                1769
_reflns_number_total             1952
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2287.cif
_cod_data_source_block           I
_cod_original_cell_volume        470.400(10)
_cod_database_code               2217014
_cod_database_fobs_code          2217014