A novel parallel interpenetrating two-dimensional (4,4) network: poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~2~-naphthalene-1,4-dicarboxylato)zinc(II)]
Li, Ya-Ping; Sun, Da-Jun; Zang, Hu; Su, Guan-Fang; Li, Yu-Lin; Acta Crystallographica Section C 65 (2009) m340–m342; doi:10.1107/S0108270109029084

data_2017294
_publ_section_title
;A novel parallel interpenetrating two-dimensional (4,4) network:
 poly[[\m~2~-1,4-bis(imidazol-1-ylmethyl)benzene](\m~2~-naphthalene-1,4-dicarboxylato)zinc(II)]
;
_journal_coeditor_code           GD3296
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m340
_journal_page_last               m342
_journal_paper_doi               10.1107/S0108270109029084
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Zn (C12 H6 O4) (C14 H14 N4)]'
_chemical_formula_moiety         'C26 H20 N4 O4 Zn1'
_chemical_formula_sum            'C26 H20 N4 O4 Zn'
_chemical_formula_weight         517.83
_chemical_name_systematic
;
poly[[\m~2~-1,4-bis(imidazol-1-ylmethyl)benzene](\m~2~-naphthalene-1,4-
dicarboxylato)zinc(II)]
;
_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                96.319(4)
_cell_angle_beta                 93.869(5)
_cell_angle_gamma                100.628(4)
_cell_formula_units_Z            4
_cell_length_a                   10.4112(5)
_cell_length_b                   11.5745(5)
_cell_length_c                   19.1907(9)
_cell_measurement_reflns_used    9159
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      3.01
_cell_volume                     2249.95(18)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX diffractometer'
_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  0.0512
_diffrn_reflns_av_sigmaI/netI    0.1313
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22060
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.134
_exptl_absorpt_correction_T_max  0.775
_exptl_absorpt_correction_T_min  0.680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.737
_refine_diff_density_min         -0.438
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.831
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9159
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.831
_refine_ls_R_factor_all          0.1034
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0957
_reflns_number_gt                4749
_reflns_number_total             9159
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gd3296.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C26 H20 N4 O4 Zn1'
_cod_database_code               2017294
_cod_database_fobs_code          2017294