μ-Succinato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[(2,2'-bipyridine-<i>{κ</i>}^2^<i>N</i>,<i>N</i>')copper(II)] succinate dodecahydrate
Lin, Jian-Li; Xu, Wei; Acta Crystallographica Section E 65 (2009) m1411–; doi:10.1107/S160053680904224X

data_2223941
_publ_section_title
;\m-Succinato-\k^2^<i>O</i>^1^:<i>O</i>^4^-bis[(2,2'-bipyridine-<i>{\k</i>}^2^<i>N</i>,<i>N</i>')copper(II)]
 succinate dodecahydrate
;
_journal_coeditor_code           NG2666
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1411
_journal_paper_doi               10.1107/S160053680904224X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Cu2 (C4 H4 O4) (C10 H8 N2)4] C4 H4 O4, 12H2 O'
_chemical_formula_moiety         'C44 H36 Cu2 N8 O4 2+, C4 H4 O4 2-, 12 (H2 O)'
_chemical_formula_sum            'C48 H64 Cu2 N8 O20'
_chemical_formula_weight         1200.15
_chemical_name_systematic
;
\m-Succinato-\k^2^<i>O</i>^1^:<i>O</i>^4^-bis[(2,2'-bipyridine-
\k^2^<i>N</i>,<i>N</i>')copper(II)] succinate dodecahydrate
;
_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                77.21(3)
_cell_angle_beta                 77.99(3)
_cell_angle_gamma                79.85(3)
_cell_formula_units_Z            1
_cell_length_a                   10.502(2)
_cell_length_b                   10.764(2)
_cell_length_c                   12.892(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      5.0
_cell_volume                     1377.1(5)
_computing_cell_refinement       'XSCANS (Siemens, 1996)'
_computing_data_collection       'XSCANS (Siemens, 1996)'
_computing_data_reduction        'XSCANS (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\q/2\q 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  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0428
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5721
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.854
_exptl_absorpt_correction_T_max  0.844
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   XSCANS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             626
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.027
_refine_diff_density_min         -1.580
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         4853
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0529
_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^)+(0.0531P)^2^+2.9966P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1309
_refine_ls_wR_factor_ref         0.1449
_reflns_number_gt                3856
_reflns_number_total             4853
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ng2666.cif
_cod_data_source_block           I
_cod_database_code               2223941
_cod_database_fobs_code          2223941