<i>catena</i>-Poly[[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-μ-fumarato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>'''-[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-μ-fumarato-κ<i>O</i>:κ<i>O</i>']
Dong, Gui-Ying; Cui, Guang-Hua; Lin, Jin; Acta Crystallographica Section E 62 (2006) m628–m630; doi:10.1107/S1600536806006477

data_2208276
_publ_section_title
<i>catena</i>-Poly[[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-\m-fumarato-\k^2^<i>O</i>,<i>O</i>':\k^2^<i>O</i>'',<i>O</i>'''-[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-\m-fumarato-\k<i>O</i>:\k<i>O</i>']
_journal_coeditor_code           CF2009
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m628
_journal_page_last               m630
_journal_paper_doi               10.1107/S1600536806006477
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu (C4 H2 O4) (C12 H12 N2) (H2 O)]'
_chemical_formula_moiety         'C16 H16 Cu N2 O5'
_chemical_formula_sum            'C16 H16 Cu N2 O5'
_chemical_formula_weight         379.85
_chemical_name_systematic
;
catena-Poly[[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-\m-fumarato]
;
_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                93.602(7)
_cell_angle_beta                 104.926(7)
_cell_angle_gamma                104.640(7)
_cell_formula_units_Z            2
_cell_length_a                   7.337(3)
_cell_length_b                   10.767(5)
_cell_length_c                   10.967(5)
_cell_measurement_reflns_used    1020
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.8
_cell_measurement_theta_min      2.6
_cell_volume                     802.3(6)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.500
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker SMART CCD 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  0.0165
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4286
_diffrn_reflns_theta_full        2.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.390
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             390
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.339
_refine_diff_density_min         -0.349
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     225
_refine_ls_number_reflns         2901
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0389
_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^)+(0.0593P)^2^+0.3956P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1031
_reflns_number_gt                2597
_reflns_number_total             2901
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf2009.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      ' P -1'
_cod_database_code               2208276
_cod_database_fobs_code          2208276