<i>catena</i>-Poly[[bis(methanol-κ<i>O</i>)bis(pyridine-κ<i>N</i>)nickel(II)]-μ-tetrafluoroterephthalato-κ^2^<i>O</i>:<i>O</i>']
Zheng, Chang-Ge; Hong, Jian-Quan; Zhang, Jie; Wang, Chao; Acta Crystallographica Section E 64 (2008) m879–; doi:10.1107/S1600536808016619

data_2218665
_publ_section_title
<i>catena</i>-Poly[[bis(methanol-\k<i>O</i>)bis(pyridine-\k<i>N</i>)nickel(II)]-\m-tetrafluoroterephthalato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           CV2417
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m879
_journal_paper_doi               10.1107/S1600536808016619
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ni (C8 F4 O4) (C5 H5 N)2 (C H4 O)2]'
_chemical_formula_moiety         'C20 H18 F4 N2 Ni O6'
_chemical_formula_sum            'C20 H18 F4 N2 Ni O6'
_chemical_formula_weight         517.07
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(methanol-\k<i>O</i>)bis(pyridine-
\k<i>N</i>)nickel(II)]-\m-tetrafluoroterephthalato-\k^2^<i>O</i>:<i>O</i>']
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'form.cif (version 2.0)'
_cell_angle_alpha                100.442(9)
_cell_angle_beta                 101.559(9)
_cell_angle_gamma                114.396(6)
_cell_formula_units_Z            1
_cell_length_a                   7.9159(7)
_cell_length_b                   8.8846(8)
_cell_length_c                   9.0219(14)
_cell_measurement_reflns_used    409
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      18.19
_cell_measurement_theta_min      3.69
_cell_volume                     540.78(12)
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'APEX2 (Bruker, 2005)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEXII CCD 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  0.0447
_diffrn_reflns_av_sigmaI/netI    0.0868
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3004
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         3.69
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.971
_exptl_absorpt_correction_T_max  0.9091
_exptl_absorpt_correction_T_min  0.8680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2000)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             264
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.465
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         1901
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1118
_refine_ls_R_factor_gt           0.0654
_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\^)+(0.0760P)\^2\^+0.2195P], P=(Fo\^2\^+2Fc\^2\^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1397
_refine_ls_wR_factor_ref         0.1682
_reflns_number_gt                1210
_reflns_number_total             1901
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2417.cif
_cod_data_source_block           I
_cod_original_cell_volume        540.78(11)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2218665
_cod_database_fobs_code          2218665