Poly[bis(<i>N</i>,<i>N</i>-dimethylacetamide)-1κ<i>O</i>,2κ<i>O</i>-bis(μ~4~-thiophene-2,5-dicarboxylato-1:2:1':2'κ^4^<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^5^:<i>O</i>^5'^)dizinc]
Du, Ming-Ming; Ng, Seik Weng; Acta Crystallographica, Section E 67 (2011) m1488–m1488; doi:10.1107/S160053681103981X

data_2231796
_publ_section_title
;
 Poly[bis(<i>N</i>,<i>N</i>-dimethylacetamide)-1\k<i>O</i>,2\k<i>O</i>-bis(\m~4~-thiophene-2,5-dicarboxylato-1:2:1':2'\k^4^<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^5^:<i>O</i>^5'^)dizinc]
;
_journal_coeditor_code           XU5337
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m1488
_journal_page_last               m1488
_journal_paper_doi               10.1107/S160053681103981X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Zn2 (C6 H2 O4 S)2 (C4 H9 N O)2]'
_chemical_formula_moiety         'C20 H22 N2 O10 S2 Zn2'
_chemical_formula_sum            'C20 H22 N2 O10 S2 Zn2'
_chemical_formula_weight         645.26
_chemical_name_systematic
;
Poly[bis(<i>N</i>,<i>N</i>-dimethylacetamide)-1\k<i>O</i>,2\k<i>O</i>-
bis(\m~4~-thiophene-2,5-dicarboxylato-
1:2:1':2'\k^4^<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^5^:<i>O</i>^5'^)dizinc]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 100.734(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.4866(2)
_cell_length_b                   14.8476(4)
_cell_length_c                   10.1406(3)
_cell_measurement_reflns_used    3158
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.65
_cell_measurement_theta_min      2.44
_cell_volume                     1255.41(6)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2010)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2010)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2010)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Gemini S Ultra'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0541
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7660
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.133
_exptl_absorpt_correction_T_max  0.8150
_exptl_absorpt_correction_T_min  0.6749
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2010)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.132
_refine_diff_density_min         -0.549
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         2841
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0535P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                1990
_reflns_number_total             2841
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5337.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2231796
_cod_database_fobs_code          2231796