Bis(methanol-κ<i>O</i>)bis(1,2-diamino-2-hydroxyiminoethanone oximato-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(oxamide dioxime) methanol disolvate
Liu, Daying; Zhang, Ruihong; Hu, Hui; Qi, Jing; Yang, Guangming; Acta Crystallographica Section E 68 (2012) m1235–m1236; doi:10.1107/S1600536812036811

data_2236338
_publ_section_title
;
 Bis(methanol-\k<i>O</i>)bis(1,2-diamino-2-hydroxyiminoethanone
 oximato-\k^2^<i>N</i>,<i>N</i>')copper(II) bis(oxamide dioxime) methanol
 disolvate
;
_journal_coeditor_code           HY2572
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1235
_journal_page_last               m1236
_journal_paper_doi               10.1107/S1600536812036811
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Cu (C2 H5 N4 O2)2 (C H4 O)2], 2C2 H6 N4 O2, 2C H4 O'
_chemical_formula_moiety         'C6 H18 Cu N8 O6, 2(C2 H6 N4 O2), 2(C H4 O)'
_chemical_formula_sum            'C12 H38 Cu N16 O12'
_chemical_formula_weight         662.13
_chemical_name_systematic
;
Bis(methanol-\k<i>O</i>)bis(oxamide oxime
oximato-\k^2^<i>N</i>,<i>N</i>')copper(II)
bis(oxamide dioxime) methanol disolvate
;
_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
_cell_angle_alpha                92.046(4)
_cell_angle_beta                 103.327(9)
_cell_angle_gamma                104.957(5)
_cell_formula_units_Z            1
_cell_length_a                   7.567(3)
_cell_length_b                   8.874(4)
_cell_length_c                   10.867(5)
_cell_measurement_reflns_used    2266
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      1.94
_cell_volume                     682.5(5)
_computing_cell_refinement       'CrystalClear (Rigaku, 2009)'
_computing_data_collection       'CrystalClear (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear (Rigaku, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.22
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0943
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7216
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    0.886
_exptl_absorpt_correction_T_max  0.8290
_exptl_absorpt_correction_T_min  0.7895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2009)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             347
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.304
_refine_diff_density_min         -0.391
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         3212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0231P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                2252
_reflns_number_total             3212
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2572.cif
_cod_data_source_block           I
_cod_database_code               2236338
_cod_database_fobs_code          2236338