Poly[[(μ-3,4-dicarboxytetrahydrofuran-2,5-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^5^:<i>O</i>^2'^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] 0.69-hydrate]
Lü, Yuanqi; Acta Crystallographica Section E 64 (2008) m1245–; doi:10.1107/S1600536808027918

data_2219634
_publ_section_title
;Poly[[(\m-3,4-dicarboxytetrahydrofuran-2,5-dicarboxylato-\k^4^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^5^:<i>O</i>^2'^)(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)]
 0.69-hydrate]
;
_journal_coeditor_code           IS2325
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1245
_journal_paper_doi               10.1107/S1600536808027918
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu (C8 H6 O9) (C12 H8 N2)] , 0.69H2 O'
_chemical_formula_moiety         'C20 H14 Cu N2 O9 , 0.69H2 O'
_chemical_formula_sum            'C20 H15.38 Cu N2 O9.69'
_chemical_formula_weight         502.30
_chemical_name_systematic
;
Poly[[(\m-3,4-dicarboxytetrahydrofuran-2,5-dicarboxylato-
\k^4^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^5^:<i>O</i>^2'^)(1,10-
phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)] 0.69-hydrate]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 90.960(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9215(7)
_cell_length_b                   8.5454(5)
_cell_length_c                   17.5970(10)
_cell_measurement_reflns_used    6566
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.6
_cell_volume                     1942.78(19)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.020
_diffrn_reflns_av_sigmaI/netI    0.015
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24533
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.189
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1023.6
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.91
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         4444
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.039
_refine_ls_R_factor_gt           0.034
_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^)+(0.0625P)^2^+0.9393P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.099
_refine_ls_wR_factor_ref         0.104
_reflns_number_gt                3829
_reflns_number_total             4444
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is2325.cif
_cod_data_source_block           I
_cod_original_cell_volume        1942.85(19)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2219634
_cod_database_fobs_code          2219634