Crystal structure of μ-oxalodihydroxamato-bis[(2,2'-bipyridyl)(dimethyl sulfoxide-κ<i>O</i>)copper(II)] bis(perchlorate)
Odarich, Irina A.; Pavlishchuk, Anna V.; Kalibabchuk, Valentina A.; Haukka, Matti; Acta Crystallographica Section E 72 (2016) 147–150; doi:10.1107/S2056989016000050

data_2241450
_publ_section_title
;
 Crystal structure of \m-oxalodihydroxamato-bis[(2,2'-bipyridyl)(dimethyl
 sulfoxide-\k<i>O</i>)copper(II)] bis(perchlorate)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              147
_journal_page_last               150
_journal_paper_doi               10.1107/S2056989016000050
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac
'[Cu2 (C2 H2 N2 O4) (C10 H8 N2)2 (C2 H6 O S)2] (Cl O4)2'
_chemical_formula_moiety         'C26 H30 Cu2 N6 O6 S2 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C26 H30 Cl2 Cu2 N6 O14 S2'
_chemical_formula_weight         912.66
_chemical_name_systematic
'\m-Oxalodihydroxamato-bis[(2,2'-bipyridyl)(dimethyl sulfoxide-\k<i>O</i>)copper(II)] bis(perchlorate)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                68.853(2)
_cell_angle_beta                 84.803(3)
_cell_angle_gamma                87.825(3)
_cell_formula_units_Z            1
_cell_length_a                   7.3641(2)
_cell_length_b                   10.3759(5)
_cell_length_c                   12.1358(5)
_cell_measurement_reflns_used    26719
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     861.27(6)
_computing_cell_refinement
;
DENZO/SCALEPACK (Otwinowski & Minor, 1997)
;
_computing_data_collection
;
COLLECT (Bruker, 2004)
;
_computing_data_reduction
;
DENZO/SCALEPACK (Otwinowski & Minor, 1997)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL-2014/7 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18205
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.460
_diffrn_reflns_theta_min         2.777
_exptl_absorpt_coefficient_mu    1.587
_exptl_absorpt_correction_T_max  0.8346
_exptl_absorpt_correction_T_min  0.7885
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SORTAV; Blessing, 1995)
;
_exptl_crystal_colour            'pale blue'
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'block '
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.132
_exptl_crystal_size_mid          0.117
_exptl_crystal_size_min          0.116
_refine_diff_density_max         0.739
_refine_diff_density_min         -0.546
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         3943
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0388P)^2^+0.7097P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0868
_reflns_number_gt                3351
_reflns_number_total             3943
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sj5487sup1.cif
_cod_data_source_block           I
_cod_database_code               2241450
_cod_database_fobs_code          2241450
_shelx_estimated_absorpt_t_min   0.818
_shelx_estimated_absorpt_t_max   0.837
_shelx_hkl_checksum              39729
_shelx_res_checksum              8336