<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate]
Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan; Acta Crystallographica Section E 68 (2012) m1416–; doi:10.1107/S1600536812043632

data_2236521
_publ_section_title
;
 <i>catena</i>-Poly[[[aqua(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')copper(II)]-\m-furan-2,5-dicarboxylato-\k^2^<i>O</i>^2^:<i>O</i>^5^]
 dihydrate]
;
_journal_coeditor_code           NG5302
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1416
_journal_paper_doi               10.1107/S1600536812043632
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (C6 H2 O5) (C10 H8 N2) (H2 O)], 2H2 O'
_chemical_formula_moiety         'C16 H12 Cu N2 O6, 2(H2 O)'
_chemical_formula_sum            'C16 H16 Cu N2 O8'
_chemical_formula_weight         427.86
_chemical_name_systematic
;
<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')copper(II)]-
\m-furan-2,5-dicarboxylato-\k^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                88.33(3)
_cell_angle_beta                 69.31(3)
_cell_angle_gamma                66.85(3)
_cell_formula_units_Z            2
_cell_length_a                   8.8621(18)
_cell_length_b                   8.9016(18)
_cell_length_c                   12.523(3)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.24
_cell_volume                     842.8(4)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'Crystal Structure (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 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0285
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8312
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.24
_exptl_absorpt_coefficient_mu    1.346
_exptl_absorpt_correction_T_max  0.7382
_exptl_absorpt_correction_T_min  0.5888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             438
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.375
_refine_diff_density_min         -0.602
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3809
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0340
_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^)+(0.0544P)^2^+0.2206P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0920
_reflns_number_gt                3430
_reflns_number_total             3809
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ng5302.cif
_cod_data_source_block           I
_cod_original_cell_volume        842.8(3)
_cod_database_code               2236521
_cod_database_fobs_code          2236521