Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')-bis[(3-pyridinecarboxaldehyde-κ<i>N</i>')]dicopper(II)(<i>Cu{—</i>Cu})
Cruz-Enriquez, Adriana; Baez-Castro, Alberto; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, Jose J.; Acta Crystallographica Section E 68 (2012) m1339–m1340; doi:10.1107/S1600536812041074

data_2236647
_publ_section_title
;
 Tetrakis(\m-acetato-\k^2^<i>O</i>:<i>O</i>')-bis[(3-pyridinecarboxaldehyde-\k<i>N</i>')]dicopper(II)(<i>Cu{---</i>Cu})
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1339
_journal_page_last               m1340
_journal_paper_doi               10.1107/S1600536812041074
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu2 (C2 H3 O2)4 (C6 H5 N O)]'
_chemical_formula_moiety         'C20 H22 Cu2 N2 O10'
_chemical_formula_sum            'C20 H22 Cu2 N2 O10'
_chemical_formula_weight         577.48
_chemical_name_systematic
;
Tetrakis(\m-acetato-\k^2^<i>O</i>:<i>O</i>')-bis[(3-pyridinecarboxaldehyde-
\k<i>N</i>')]dicopper(II)(<i>Cu---Cu</i>)
;
_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                100.3530(10)
_cell_angle_beta                 108.9750(10)
_cell_angle_gamma                98.6790(10)
_cell_formula_units_Z            1
_cell_length_a                   7.4099(6)
_cell_length_b                   8.4298(7)
_cell_length_c                   10.0254(8)
_cell_measurement_reflns_used    3727
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.52
_cell_volume                     567.62(8)
_computing_cell_refinement       '<i>SAINT-Plus-NT</i> (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        '<i>SAINT-Plus-NT</i> (Bruker, 2001)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 2012) and <i>Mercury</i> (Macrae <i>et al.</i> 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4118
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    1.932
_exptl_absorpt_correction_T_max  0.7200
_exptl_absorpt_correction_T_min  0.4481
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             294
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.408
_refine_diff_density_min         -0.364
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         1980
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0271
_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^)+(0.0297P)^2^+0.5378P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0681
_reflns_number_gt                1921
_reflns_number_total             1980
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            su2505.cif
_cod_data_source_block           I
_cod_original_cell_volume        567.61(8)
_cod_database_code               2236647
_cod_database_fobs_code          2236647