Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate
Zhao, Ning; Acta Crystallographica Section C 69 (2013) 348–350; doi:10.1107/S0108270113005118

data_2018921
_publ_section_title
;
 Bis[\m-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)]
 methanol disolvate
;
_journal_coeditor_code           OV3024
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              348
_journal_page_last               350
_journal_paper_doi               10.1107/S0108270113005118
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac
'[Cu2 (C15 H11 Cl1 N2 O3)2 (C5 H5 N1)2], 2C H4 O'
_chemical_formula_moiety         'C40 H32 Cl2 Cu2 N6 O6, 2(C H4 O)'
_chemical_formula_sum            'C42 H40 Cl2 Cu2 N6 O8'
_chemical_formula_weight         954.78
_chemical_name_systematic
;Bis[\m-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)]
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                111.615(3)
_cell_angle_beta                 92.294(4)
_cell_angle_gamma                101.130(4)
_cell_formula_units_Z            1
_cell_length_a                   7.5570(16)
_cell_length_b                   12.223(3)
_cell_length_c                   12.681(3)
_cell_measurement_reflns_used    13246
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     1060.5(4)
_computing_cell_refinement       'SMART (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenberg & Putz, 2010)'
_computing_publication_material  'SHELXTL (Bruker, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13246
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.188
_exptl_absorpt_correction_T_max  0.65
_exptl_absorpt_correction_T_min  0.58
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             490
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.469
_refine_diff_density_min         -0.355
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4837
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0317
_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^)+(0.0810P)^2^+0.1044P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                4282
_reflns_number_total             4837
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ov3024.cif
_cod_data_source_block           I
_cod_database_code               2018921
_cod_database_fobs_code          2018921