<i>catena</i>-Poly[[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis[aqua(dimethylformamide-κ<i>O</i>)copper(II)]]-di-μ-terephthalato-κ^4^<i>O</i>^1^:<i>O</i>^4^]
Xu, Ji-Yang; Chen, Bang-Lin; Ng, Seik Weng; Acta Crystallographica Section E 63 (2007) m2200–m2200; doi:10.1107/S1600536807035040

data_2214576
_publ_section_title
<i>catena</i>-Poly[[(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')bis[aqua(dimethylformamide-\k<i>O</i>)copper(II)]]-di-\m-terephthalato-\k^4^<i>O</i>^1^:<i>O</i>^4^]
_journal_coeditor_code           CF2124
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2200
_journal_page_last               m2200
_journal_paper_doi               10.1107/S1600536807035040
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu2 (C8 H4 O4)2 (C10 H8 N2) (C3 H7 N O)2 (H2 O)2]'
_chemical_formula_moiety         'C32 H34 Cu2 N4 O12'
_chemical_formula_sum            'C32 H34 Cu2 N4 O12'
_chemical_formula_weight         793.71
_chemical_name_systematic
\kO)copper(II)]]-di-\m-terephthalato-\k^4^O^1^:O^4^]
_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                 108.7410(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.8424(2)
_cell_length_b                   14.3465(3)
_cell_length_c                   11.1929(2)
_cell_measurement_reflns_used    4717
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      2.4
_cell_volume                     1648.75(6)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker X8 APEXII'
_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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            21007
_diffrn_reflns_theta_full        29.14
_diffrn_reflns_theta_max         29.43
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.361
_exptl_absorpt_correction_T_max  0.973
_exptl_absorpt_correction_T_min  0.813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.453
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4415
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0333
_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^)+(0.0434P)^2^+0.0236P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.0863
_reflns_number_gt                3131
_reflns_number_total             4415
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf2124.cif
_cod_data_source_block           I
_cod_original_cell_volume        1648.75(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214576
_cod_database_fobs_code          2214576