Poly[bis(1<i>H</i>-imidazole)bis(μ~2~-1<i>H</i>-imidazolido)bis(μ~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)trizinc(II)]
Lin, Qiu-Yue; Wang, Na; Wu, Yi-Zhou; Acta Crystallographica Section E 66 (2010) m705–m706; doi:10.1107/S1600536810017915

data_2226319
_publ_section_title
;
 Poly[bis(1<i>H</i>-imidazole)bis(\m~2~-1<i>H</i>-imidazolido)bis(\m~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)trizinc(II)]
;
_journal_coeditor_code           WM2332
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m705
_journal_page_last               m706
_journal_paper_doi               10.1107/S1600536810017915
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Zn3 (C8 H8 O5)2 (C3 H3 N2)2 (C3 H4 N2)2]'
_chemical_formula_moiety         'C28 H30 N8 O10 Zn3'
_chemical_formula_sum            'C28 H30 N8 O10 Zn3'
_chemical_formula_weight         834.71
_chemical_name_systematic
;
Poly[bis(\m~2~-1<i>H</i>-imidazolido)bis(1<i>H</i>-imidazole)bis(\m~2~-
7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)trizinc(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 112.6330(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.99930(10)
_cell_length_b                   22.3923(2)
_cell_length_c                   9.75860(10)
_cell_measurement_reflns_used    5397
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      1.82
_cell_volume                     1613.37(3)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEXII CCD diffractometer'
_diffrn_measurement_method       '\w scans'
_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  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13439
_diffrn_reflns_theta_full        27.61
_diffrn_reflns_theta_max         27.61
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.281
_exptl_absorpt_correction_T_max  0.822
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.278
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     223
_refine_ls_number_reflns         3714
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0306P)^2^+0.4382P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0578
_refine_ls_wR_factor_ref         0.0601
_reflns_number_gt                3197
_reflns_number_total             3714
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2332.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2226319
_cod_database_fobs_code          2226319