<i>catena</i>-Poly[[[diaqua(2-sulfonatobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc(II)]-μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate]
Hong-Ping Xiao; Acta Crystallographica Section E 62 (2006) m1611–m1612; doi:10.1107/S1600536806022781

data_2209415
_publ_section_title
;<i>catena</i>-Poly[[[diaqua(2-sulfonatobenzoato-\k^2^<i>O</i>:<i>O</i>')zinc(II)]-\m~2~-1,3-di-4-pyridylpropane-\k^2^<i>N</i>:<i>N</i>']
 <i>N</i>,<i>N</i>-dimethylformamide solvate]
;
_journal_coeditor_code           BT2108
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1611
_journal_page_last               m1612
_journal_paper_doi               10.1107/S1600536806022781
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Zn (C7 H4 O5 S) (C13 H14 N2) (H2 O)2] , C3 H7 N O'
_chemical_formula_moiety         'C20 H22 N2 O7 S Zn , C3 H7 N O'
_chemical_formula_sum            'C23 H29 N3 O8 S Zn'
_chemical_formula_weight         572.95
_chemical_name_systematic
;
catena-Poly[[diaqua(2-sulfonatobenzoato-\k^2^O:O')zinc(II)]-
\m~2~-1,3-di-4-pyridylpropane-\k^2^N:N'] N,N-dimethylformamide solvate]
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.933(4)
_cell_length_b                   10.918(3)
_cell_length_c                   28.116(6)
_cell_measurement_reflns_used    4577
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.86
_cell_measurement_theta_min      2.33
_cell_volume                     5198(2)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XP (Bruker, 2002)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            26390
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         1.88
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.076
_exptl_absorpt_correction_T_max  0.8466
_exptl_absorpt_correction_T_min  0.7245
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.412
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.349
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4736
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.349
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0366P)^2^+10.3016P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1381
_refine_ls_wR_factor_ref         0.1409
_reflns_number_gt                4326
_reflns_number_total             4736
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2108.cif
_cod_data_source_block           I
_cod_database_code               2209415
_cod_database_fobs_code          2209415