Poly[bis(dimethylammonium) [bis(dimethylamine-κ<i>N</i>)tris(μ~2~-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^)dizinc(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate hexahydrate]
Xiao, Jie; Zhou, Hu; Yuan, Ai-Hua; Acta Crystallographica Section E 65 (2009) m1071–m1072; doi:10.1107/S1600536809030177

data_2222954
_publ_section_title
;Poly[bis(dimethylammonium)
 [bis(dimethylamine-\k<i>N</i>)tris(\m~2~-terephthalato-\k^2^<i>O</i>^1^:<i>O</i>^4^)dizinc(II)]
 <i>N</i>,<i>N</i>-dimethylformamide disolvate hexahydrate]
;
_journal_coeditor_code           AT2837
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1071
_journal_page_last               m1072
_journal_paper_doi               10.1107/S1600536809030177
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'(C2 H8 N)2 [Zn2 (C8 H4 O4)3 (C2 H7 N)2], 2C3 H7 N O, 6H2 O'
_chemical_formula_moiety
'2(C2 H8 N +), C28 H26 N2 O12 Zn2 2-, 2(C3 H7 N O), 6(H2 O1)'
_chemical_formula_sum            'C38 H68 N6 O20 Zn2'
_chemical_formula_weight         1059.72
_chemical_name_systematic
;
Poly[bis(dimethylammonium)[bis(dimethylamine-\k<i>N</i>)tris(\m~2~-
terephthalato-\k^2^<i>O</i>^1^:<i>O</i>^4^)dizinc(II)]
<i>N</i>,<i>N</i>-dimethylformamide disolvate hexahydrate]
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                   18.421(6)
_cell_length_b                   30.906(11)
_cell_length_c                   11.346(4)
_cell_measurement_reflns_used    6858
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      23.61
_cell_measurement_theta_min      2.21
_cell_volume                     6459(4)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0897
_diffrn_reflns_av_sigmaI/netI    0.0711
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            49068
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    0.803
_exptl_absorpt_correction_T_max  0.85
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.090
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.415
_refine_diff_density_min         -0.441
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         6463
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0489
_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^)+(0.0437P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0990
_refine_ls_wR_factor_ref         0.1059
_reflns_number_gt                3985
_reflns_number_total             6463
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2837.cif
_cod_data_source_block           I
_cod_database_code               2222954
_cod_database_fobs_code          2222954