Poly[[μ-2,2'-diethyl-1,1'-(propane-1,3-diyl)di-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc]
Liu, Ying-Ying; Wang, Chun-Jie; Yan, Yong-Sheng; Acta Crystallographica Section E 67 (2011) m1544–; doi:10.1107/S1600536811041456

data_2232337
_publ_section_title
;
 Poly[[\m-2,2'-diethyl-1,1'-(propane-1,3-diyl)di-1<i>H</i>-imidazole-\k^2^<i>N</i>^3^:<i>N</i>^3'^](\m-5-hydroxyisophthalato-\k^2^<i>O</i>^1^:<i>O</i>^3^)zinc]
;
_journal_coeditor_code           HY2473
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1544
_journal_paper_doi               10.1107/S1600536811041456
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Zn (C8 H4 O5) (C13 H20 N4)]'
_chemical_formula_moiety         'C21 H24 N4 O5 Zn'
_chemical_formula_sum            'C21 H24 N4 O5 Zn'
_chemical_formula_weight         477.83
_chemical_name_systematic
;
Poly[[\m-2,2'-diethyl-1,1'-(propane-1,3-diyl)di-1<i>H</i>-imidazole-
\k^2^<i>N</i>^3^:<i>N</i>^3'^](\m-5-hydroxyisophthalato-
\k^2^<i>O</i>^1^:<i>O</i>^3^)zinc]
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.476(2)
_cell_length_b                   14.846(4)
_cell_length_c                   15.724(4)
_cell_measurement_reflns_used    4372
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2212.1(9)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0423
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21558
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    1.150
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.462
_refine_ls_abs_structure_details 'Flack (1983), 2190 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.006(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         5031
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0503
_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^)+(0.0827P)^2^+0.6158P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1298
_refine_ls_wR_factor_ref         0.1359
_reflns_number_gt                4372
_reflns_number_total             5031
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2473.cif
_cod_data_source_block           I
_cod_database_code               2232337
_cod_database_fobs_code          2232337