Poly[(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)(μ~2~-2-methylimidazolato-κ^2^<i>N</i>:<i>N</i>')tris(2-methylimidazole-κ<i>N</i>)dizinc(II)]
Maniam, Palanikumar; Stock, Norbert; Acta Crystallographica Section E 67 (2011) m669–m670; doi:10.1107/S1600536811015844

data_2230244
_publ_section_title
;
 Poly[(\m~3~-benzene-1,3,5-tricarboxylato-\k^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)(\m~2~-2-methylimidazolato-\k^2^<i>N</i>:<i>N</i>')tris(2-methylimidazole-\k<i>N</i>)dizinc(II)]
;
_journal_coeditor_code           BT5531
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m669
_journal_page_last               m670
_journal_paper_doi               10.1107/S1600536811015844
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Zn2 (C9 H3 O6) (C4 H5 N2) (C4 H6 N2)3]'
_chemical_formula_moiety         'C25 H26 N8 O6 Zn2'
_chemical_formula_sum            'C25 H26 N8 O6 Zn2'
_chemical_formula_weight         665.28
_chemical_name_systematic
;
Poly[(\m~3~-benzene-1,3,5-tricarboxylato-
\k^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)(\m~2~-2-methylimidazolato-
\k^2^<i>N</i>:<i>N</i>')tris(2-methylimidazole-\k<i>N</i>)dizinc(II)]
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.9722(6)
_cell_length_b                   18.2247(4)
_cell_length_c                   16.5585(4)
_cell_measurement_reflns_used    40409
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.67
_cell_measurement_theta_min      1.55
_cell_volume                     5725.3(3)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2008)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2008)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2010)'
_computing_publication_material  'XCIF in 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 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Stoe IPDS-1'
_diffrn_measurement_method       \f
_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  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            38494
_diffrn_reflns_theta_full        29.26
_diffrn_reflns_theta_max         29.26
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    1.729
_exptl_absorpt_correction_T_max  0.8138
_exptl_absorpt_correction_T_min  0.6837
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(XRED and X-SHAPE; Stoe & Cie, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          0.1589
_exptl_crystal_size_mid          0.0939
_exptl_crystal_size_min          0.0694
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.544
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7732
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0614
_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^)+(0.0602P)^2^+8.9412P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1342
_refine_ls_wR_factor_ref         0.1433
_reflns_number_gt                6222
_reflns_number_total             7732
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5531.cif
_cod_data_source_block           I
_cod_database_code               2230244
_cod_database_fobs_code          2230244