<i>trans</i>-Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2λ^6^,3-oxathiazin-3-ido-κ<i>N</i>)copper(II)
Dege, Necmi; Demirtaş, Güneş; Içbudak, Hasan; Acta Crystallographica Section E 68 (2012) m47–m48; doi:10.1107/S1600536811051658

data_2233095
_publ_section_title
;
 <i>trans</i>-Bis(ethylenediamine-\k^2^<i>N</i>,<i>N</i>')bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2\l^6^,3-oxathiazin-3-ido-\k<i>N</i>)copper(II)
;
_journal_coeditor_code           BT5731
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m47
_journal_page_last               m48
_journal_paper_doi               10.1107/S1600536811051658
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (C4 H4 N O4 S)2 (C2 H8 N2)2]'
_chemical_formula_moiety         'C12 H24 Cu N6 O8 S2'
_chemical_formula_sum            'C12 H24 Cu N6 O8 S2'
_chemical_formula_weight         508.03
_chemical_name_systematic
;
<i>trans</i>-Bis(ethylenediamine-\k^2^<i>N</i>,<i>N</i>')bis(6-methyl-2,2,4-
trioxo-3,4-dihydro-1,2\l^6^,3-oxathiazin-3-ido-\k<i>N</i>)copper(II)
;
_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                90.00
_cell_angle_beta                 93.017(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.9853(3)
_cell_length_b                   17.5355(6)
_cell_length_c                   8.4092(4)
_cell_measurement_reflns_used    28030
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      2.32
_cell_volume                     1028.62(7)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997)and Mercury (Macrae <i>et al.</i>, 2006)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
'WinGX (Farrugia, 1997) and SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       'w-scan rotation'
_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  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0155
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            14620
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    1.317
_exptl_absorpt_correction_T_max  0.6779
_exptl_absorpt_correction_T_min  0.4383
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             526
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.252
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         2023
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0244
_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^)+(0.0309P)^2^+0.3289P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0649
_reflns_number_gt                1865
_reflns_number_total             2023
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5731.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2233095
_cod_database_fobs_code          2233095