Bis{<i>N</i>-[methoxy(4-methylbenzamido)methyl]-2,4-dimethylanilinido-κ^2^<i>N</i>,<i>O</i>}copper(II)
Yusof, M. Sukeri M.; Kadir, Maisara A.; Yamin, Bohari M.; Acta Crystallographica Section E 68 (2012) m894–; doi:10.1107/S1600536812025081

data_2235587
_publ_section_title
;
 Bis{<i>N</i>-[methoxy(4-methylbenzamido)methyl]-2,4-dimethylanilinido-\k^2^<i>N</i>,<i>O</i>}copper(II)
;
_journal_coeditor_code           QM2070
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m894
_journal_paper_doi               10.1107/S1600536812025081
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (C18 H20 N2 O2)2]'
_chemical_formula_moiety         'C36 H40 Cu N4 O4'
_chemical_formula_sum            'C36 H40 Cu N4 O4'
_chemical_formula_weight         656.26
_chemical_name_systematic
;
Bis{<i>N</i>-[methoxy(4-methylbenzamido)methyl]-2,4-dimethylanilinido-
\k^2^<i>N</i>,<i>O</i>}copper(II)
;
_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                80.784(6)
_cell_angle_beta                 74.302(6)
_cell_angle_gamma                79.772(6)
_cell_formula_units_Z            1
_cell_length_a                   7.949(2)
_cell_length_b                   10.191(3)
_cell_length_c                   10.844(4)
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.96
_cell_volume                     826.4(4)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008), PARST (Nardelli, 1995) and PLATON
(Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 83.66
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
;
Bruker SMART APEX CCD area-detector diffractometer
;
_diffrn_measurement_method       '\w scan'
_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  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0361
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10650
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    0.705
_exptl_absorpt_correction_T_max  0.8836
_exptl_absorpt_correction_T_min  0.7657
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             345
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.101
_refine_diff_density_min         -0.433
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         3792
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0634
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1258P)^2^+0.1796P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1766
_refine_ls_wR_factor_ref         0.1975
_reflns_number_gt                2609
_reflns_number_total             3792
_reflns_threshold_expression     I>2/s(I)
_cod_data_source_file            qm2070.cif
_cod_data_source_block           I
_cod_database_code               2235587
_cod_database_fobs_code          2235587