Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]
Sim, Jaeung; Kim, Taemin; Yang, Jin Kuk; Acta Crystallographica Section E 69 (2013) m619–; doi:10.1107/S1600536813028687

data_2238712
_publ_section_title
;
 Poly[(\m~6~-benzene-1,3,5-tricarboxylato-\k^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)tris(\m~3~-formato-\k^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]
;
_journal_coeditor_code           CV5429
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m619
_journal_paper_doi               10.1107/S1600536813028687
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Zn3 (H C O2)3 (C9 H3 O6) (C3 H7 N O)3]'
_chemical_formula_moiety         'C21 H27 N3 O15 Zn3'
_chemical_formula_sum            'C21 H27 N3 O15 Zn3'
_chemical_formula_weight         757.56
_chemical_name_systematic
Poly[(\m~6~-benzene-1,3,5-tricarboxylato-\k^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)tris(\m~3~-formato-\k^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.8594(17)
_cell_length_b                   13.8594(17)
_cell_length_c                   8.0100(14)
_cell_measurement_reflns_used    2269
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.209
_cell_measurement_theta_min      2.365
_cell_volume                     1332.5(3)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'CrystalMaker (CrystalMaker, 2013)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'phi and omega 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  0.1533
_diffrn_reflns_av_sigmaI/netI    0.0991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.543
_diffrn_reflns_theta_min         1.697
_exptl_absorpt_coefficient_mu    2.760
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_description       column
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.721
_refine_diff_density_min         -0.792
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.809
_refine_ls_goodness_of_fit_ref   0.809
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     127
_refine_ls_number_reflns         2027
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.809
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+0.1686P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0893
_reflns_number_gt                1563
_reflns_number_total             2027
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cv5429.cif
_cod_data_source_block           I
_cod_original_cell_volume        1332.5(4)
_cod_database_code               2238712