Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))
Sydoruk, Tetyana V.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Acta Crystallographica Section E 69 (2013) m551–m552; doi:10.1107/S1600536813025105

data_2238631
_publ_section_title
;
 Bis{\m-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))
;
_journal_coeditor_code           HG5344
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m551
_journal_page_last               m552
_journal_paper_doi               10.1107/S1600536813025105
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu2 (C9 H10 N O2)4]'
_chemical_formula_moiety         'C36 H40 Cu2 N4 O8'
_chemical_formula_sum            'C36 H40 Cu2 N4 O8'
_chemical_formula_weight         783.8
_chemical_name_systematic
Bis{\m-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1889(12)
_cell_length_b                   15.2033(5)
_cell_length_c                   21.6254(9)
_cell_measurement_reflns_used    25414
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      37.4169
_cell_measurement_theta_min      3.7029
_cell_volume                     3349.9(4)
_computing_cell_refinement
;
CrysAlis Pro (Agilent, 2011)
;
_computing_data_collection
;
CrysAlis Pro (Agilent, 2011)
;
_computing_data_reduction
;
CrysAlis Pro (Agilent, 2011)
;
_computing_molecular_graphics    'OrtepII (Johnson, 1976)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1994)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4738
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Oxford Diffraction Gemini diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            110425
_diffrn_reflns_theta_full        37
_diffrn_reflns_theta_max         37.48
_diffrn_reflns_theta_min         3.71
_exptl_absorpt_coefficient_mu    1.33
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.597
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
[CrysAlisPro (Agilent, 2011) based on
Clark & Reid (1995)]
;
_exptl_crystal_colour            dark_green
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.641
_refine_diff_density_min         -0.374
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         8673
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0415P)^2^+0.9858P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0835
_reflns_number_gt                7021
_reflns_number_total             8673
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg5344.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-p 2ac 2ab'
_cod_database_code               2238631