(Dihydroxyglyoxime-κ^2^<i>N</i>,<i>N</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dinitrate dihydrate
Liu, T.; Wang, Z.-W.; Wang, Y.-X.; Xie, Z.-P.; Acta Crystallographica Section E 63 (2007) m1887–m1888; doi:10.1107/S1600536807028255

data_2214262
_publ_section_title
;(Dihydroxyglyoxime-\k^2^<i>N</i>,<i>N</i>')bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)
 dinitrate dihydrate
;
_journal_coeditor_code           HK2273
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1887
_journal_page_last               m1888
_journal_paper_doi               10.1107/S1600536807028255
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu (C12 H8 N2)2 (C2 H4 N2 O4)] (N O3)2, 2H2 O'
_chemical_formula_moiety         'C26 H20 Cu N6 O4 2+, 2(N O3 -), 2(H2 O)'
_chemical_formula_sum            'C26 H24 Cu N8 O12'
_chemical_formula_weight         704.07
_chemical_name_systematic
;
(Dihydroxyglyoxime-\k^2^N,N')bis(1,10-phenanthroline-\k^2^N,N')copper(II)
dinitrate dihydrate
;
_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
_cell_angle_beta                 95.897(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9108(7)
_cell_length_b                   12.011(3)
_cell_length_c                   18.338(4)
_cell_measurement_reflns_used    5663
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.867
_cell_measurement_theta_min      2.218
_cell_volume                     3047.7(10)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0861
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19706
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         2.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.793
_exptl_absorpt_correction_T_max  0.8711
_exptl_absorpt_correction_T_min  0.7980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.785
_refine_diff_density_min         -0.606
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         6028
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0808
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0966P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1590
_refine_ls_wR_factor_ref         0.1670
_reflns_number_gt                3118
_reflns_number_total             6028
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2273.cif
_cod_data_source_block           I
_cod_original_cell_volume        3047.8(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214262
_cod_database_fobs_code          2214262