<i>catena</i>-Poly[[[aquatris(pyridine-κ<i>N</i>)nickel(II)]-μ-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] pyridine monosolvate]
Zheng, Chang-Ge; Zhang, Pei-Pei; Zhang, Peng; Li, Song; Acta Crystallographica Section E 66 (2010) m1618–; doi:10.1107/S1600536810045794

data_2228537
_publ_section_title
;
 <i>catena</i>-Poly[[[aquatris(pyridine-\k<i>N</i>)nickel(II)]-\m-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-\k^2^<i>O</i>^1^:<i>O</i>^4^]
 pyridine monosolvate]
;
_journal_coeditor_code           RZ2513
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1618
_journal_paper_doi               10.1107/S1600536810045794
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ni (C8 Cl4 O4) (C5 H5 N)3 (H2 O)], C5 H5 N'
_chemical_formula_moiety         'C46 H34 Cl8 N6 Ni2 O10, 2(C5 H5 N)'
_chemical_formula_sum            'C56 H44 Cl8 N8 Ni2 O10'
_chemical_formula_weight         1390.01
_chemical_name_systematic
;<i>catena</i>-Poly[[[aquatris(pyridine-\k<i>N</i>)nickel(II)]-
\m-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-\k^2^<i>O</i>^1^:<i>O</i>^4^]
pyridine monosolvate]
;
_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
_cell_angle_alpha                68.279(5)
_cell_angle_beta                 79.750(6)
_cell_angle_gamma                84.853(6)
_cell_formula_units_Z            2
_cell_length_a                   8.6148(6)
_cell_length_b                   17.6879(10)
_cell_length_c                   21.0617(10)
_cell_measurement_reflns_used    11475
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4932
_cell_measurement_theta_min      3.0253
_cell_volume                     2932.9(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008<i>b</i>)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008<i>b</i>)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008<i>b</i>)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       dtprofit.ref
_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  0.0595
_diffrn_reflns_av_sigmaI/netI    0.0922
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            26508
_diffrn_reflns_theta_full        26.20
_diffrn_reflns_theta_max         26.20
_diffrn_reflns_theta_min         3.03
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.072
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008<i>a</i>)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.379
_refine_diff_density_min         -0.362
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         11670
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.1183
_refine_ls_R_factor_gt           0.0755
_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^)+(0.0480P)^2^+1.8000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
_refine_ls_wR_factor_ref         0.1512
_reflns_number_gt                8092
_reflns_number_total             11670
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rz2513.cif
_cod_data_source_block           I
_cod_database_code               2228537
_cod_database_fobs_code          2228537