Poly[[μ-aqua-diaquabis(μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
Li, Ya-Feng; Qin, Xiao-Lin; Xu, Yue; Yuan, Yong-Peng; Gao, Wen-Yuan; Acta Crystallographica Section E 68 (2012) m1484–m1485; doi:10.1107/S1600536812046041

data_2236840
_publ_section_title
;
 Poly[[\m-aqua-diaquabis(\m-furan-2,5-dicarboxylato-\k^2^<i>O</i>^2^:<i>O</i>^5^)bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')dicopper(II)]
 <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
;
_journal_coeditor_code           CV5353
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1484
_journal_page_last               m1485
_journal_paper_doi               10.1107/S1600536812046041
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Cu2 (C6 H2 O5)2 (C12 H8 N2)2 (H2 O)3], C3 H7 N O'
_chemical_formula_moiety         'C36 H26 Cu2 N4 O13, C3 H7 N O'
_chemical_formula_sum            'C39 H33 Cu2 N5 O14'
_chemical_formula_weight         922.78
_chemical_name_systematic
;
Poly[[\m-aqua-diaquabis(\m-furan-2,5-dicarboxylato-
\k^2^<i>O</i>^2^:<i>O</i>^5^)bis(1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide
monosolvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 92.41(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.620(3)
_cell_length_b                   11.600(2)
_cell_length_c                   20.168(4)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      1.23
_cell_volume                     3884.8(12)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2000)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \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  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0416
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            36308
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    1.172
_exptl_absorpt_correction_T_max  0.8256
_exptl_absorpt_correction_T_min  0.6845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.649
_refine_diff_density_min         -0.351
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         8855
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0413
_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^)+(0.0551P)^2^+1.1821P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1100
_reflns_number_gt                6642
_reflns_number_total             8855
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv5353.cif
_cod_data_source_block           I
_cod_original_cell_volume        3884.6(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2236840
_cod_database_fobs_code          2236840