<i>catena</i>-Poly[[[aqua(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-thiophene-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] <i>N</i>,<i>N</i>-dimethylformamide monohydrate]
Hong-Ping Xiao; Acta Crystallographica Section E 61 (2005) m2592–m2594; doi:10.1107/S1600536805036433

data_2207646
_publ_section_title
;<i>catena</i>-Poly[[[aqua(di-2-pyridylamine-\k^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-\m-thiophene-2,5-dicarboxylato-\k^2^<i>O</i>^2^:<i>O</i>^5^]
 <i>N</i>,<i>N</i>-dimethylformamide monohydrate]
;
_journal_coeditor_code           SJ6152
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2592
_journal_page_last               m2594
_journal_paper_doi               10.1107/S1600536805036433
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac
'[Cu (C6 H2 O4 S) (C10 H9 N3) (H2 O)], C3 H7 N O, H2 O'
_chemical_formula_moiety         'C16 H13 Cu N3 O5 S, C3 H7 N O, H2 O'
_chemical_formula_sum            'C19 H22 Cu N4 O7 S'
_chemical_formula_weight         514.01
_chemical_name_systematic
;catena-Poly[[[aqua(di-2-pyridylamine-\k^2^N^2^,N^2'^)copper(II)]-\m-
thiophene-2,5-dicarboxylato-\k^2^O^2^:O^5^]
 N,N-dimethylformamide monohydrate]
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                   7.0670(10)
_cell_length_b                   24.123(2)
_cell_length_c                   13.3790(10)
_cell_measurement_reflns_used    6159
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.71
_cell_measurement_theta_min      2.91
_cell_volume                     2280.8(4)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (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 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX 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  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0386
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13430
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.096
_exptl_absorpt_correction_T_max  0.8356
_exptl_absorpt_correction_T_min  0.6325
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.275
_refine_diff_density_min         -0.346
_refine_ls_abs_structure_details 'Flack (1983), 5538 Friedel pairs'
_refine_ls_abs_structure_Flack   0.012(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         4485
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0307
_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^)+(0.0436P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0751
_reflns_number_gt                4174
_reflns_number_total             4485
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj6152.cif
_cod_data_source_block           I
_cod_database_code               2207646
_cod_database_fobs_code          2207646