Pseudotetrahedral copper(II)-complexes with enantiopure (<i>R</i> or <i>S</i>)-2-(((aryl)ethylimino)ethyl)phenolate Schiff base ligands.
Enamullah, Mohammed; Anwar Hossain, Mohammad; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Dalton transactions (Cambridge, England : 2003) 50 (2021) 9236–9249; doi:10.1039/d1dt01671g

data_7707606
_publ_section_title
;
 Pseudotetrahedral copper(II)-complexes with enantiopure (<i>R</i> or
 <i>S</i>)-2-(((aryl)ethylimino)ethyl)phenolate Schiff base ligands.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9236
_journal_page_last               9249
_journal_paper_doi               10.1039/d1dt01671g
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C26 H18.88 Cu N0.88 O3.12'
_chemical_formula_sum            'C26 H18.88 Cu N0.88 O3.12'
_chemical_formula_weight         457.08
_chemical_name_systematic        bis[2-oxo-benzophenonato-\kO,O']-copper(II)
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-02-02 deposited with the CCDC.	2021-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.803(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.4742(15)
_cell_length_b                   5.8299(5)
_cell_length_c                   19.8803(17)
_cell_measurement_reflns_used    3429
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      27.604
_cell_measurement_theta_min      2.543
_cell_volume                     1959.0(3)
_computing_cell_refinement       'SAINT (Bruker, 2012)'
_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_data_reduction        'SAINT (Bruker, 2012)'
_computing_molecular_graphics    'DIAMOND 4.3.1 (Brandenburg, 1999)'
_computing_publication_material  'SHELXL-2017/1 (Sheldrick, 2015b)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2015b)'
_computing_structure_solution    'SHELXT-2015 (Sheldrick 2015a)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa APEX-II CCD area detector'
_diffrn_measurement_method       '\w scans, \f scans'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            10309
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.604
_diffrn_reflns_theta_min         2.239
_exptl_absorpt_coefficient_mu    1.145
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 1996)'
_exptl_crystal_colour            'clear black'
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             940
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: methanol/dichloromethane'
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.087
_exptl_crystal_size_min          0.038
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.315
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         2278
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0614P)^2^+2.8120P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1093
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1928
_reflns_number_total             2278
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt01671g2.cif
_cod_data_source_block           CuL48R
_cod_depositor_comments
'Adding full bibliography for 7707605--7707606.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7707606
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.836
_shelx_estimated_absorpt_t_max   0.958
_shelx_res_checksum              23118
_shelx_hkl_checksum              5618