Poly[[diaquabis{μ-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-κ^2^<i>O</i>:<i>N</i>^1'^}copper(II)] dimethylformamide tetrasolvate]
Sun, Yabin; Song, E.; Wang, Daguang; Acta Crystallographica Section E 69 (2013) m202–m203; doi:10.1107/S1600536813006430

data_2237643
_publ_section_title
;
 Poly[[diaquabis{\m-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-\k^2^<i>O</i>:<i>N</i>^1'^}copper(II)]
 dimethylformamide tetrasolvate]
;
_journal_coeditor_code           HY2619
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m202
_journal_page_last               m203
_journal_paper_doi               10.1107/S1600536813006430
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu (C24 H15 N2 O4)2 (H2 O)2], 4C3 H7 N O'
_chemical_formula_moiety         'C48 H34 Cu N4 O10, 4(C3 H7 N O)'
_chemical_formula_sum            'C60 H62 Cu N8 O14'
_chemical_formula_weight         1182.73
_chemical_name_systematic
'Poly[[diaquabis{\m-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-\k^2^<i>O</i>:<i>N</i>^1'^}copper(II)] dimethylformamide tetrasolvate]'
_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                 96.800(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.7161(17)
_cell_length_b                   17.550(4)
_cell_length_c                   20.947(4)
_cell_measurement_reflns_used    5226
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      0.99
_cell_volume                     2816.6(10)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'XP in SHELXTL and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0577
_diffrn_reflns_av_sigmaI/netI    0.0671
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14622
_diffrn_reflns_theta_full        25.51
_diffrn_reflns_theta_max         25.51
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    0.463
_exptl_absorpt_correction_T_max  0.9131
_exptl_absorpt_correction_T_min  0.8852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1238
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.928
_refine_diff_density_min         -0.392
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5226
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1008
_refine_ls_R_factor_gt           0.0612
_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^)+(0.0891P)^2^+2.0095P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1607
_refine_ls_wR_factor_ref         0.1854
_reflns_number_gt                3371
_reflns_number_total             5226
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2619.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2237643
_cod_database_fobs_code          2237643