Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands
Liu, Chao; Chen, Ming-Xing; Li, Ming; Inorganica Chimica Acta 508 (2020) 119639–; doi:10.1016/j.ica.2020.119639

data_1564585
_publ_section_title
;
 Synthesis, crystal structures, catalytic application and antibacterial
 activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine
 ligands
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119639
_journal_paper_doi               10.1016/j.ica.2020.119639
_journal_volume                  508
_journal_year                    2020
_chemical_formula_sum            'C22 H29 Cu N3 O5'
_chemical_formula_weight         479.03
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 101.911(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.6146(16)
_cell_length_b                   7.5227(7)
_cell_length_c                   18.9472(17)
_cell_measurement_reflns_used    5489
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.153
_cell_measurement_theta_min      2.945
_cell_volume                     2317.2(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  bruker
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7772
_diffrn_reflns_point_group_measured_fraction_full 0.786
_diffrn_reflns_point_group_measured_fraction_max 0.786
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.089
_exptl_absorpt_coefficient_mu    0.979
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_correction_T_min  0.760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_description       block
_exptl_crystal_F_000             1004.0
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.220
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.315
_refine_diff_density_rms         0.041
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.150(19)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         3203
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0458P)^2^+0.9528P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0833
_reflns_Friedel_coverage         0.580
_reflns_Friedel_fraction_full    0.578
_reflns_Friedel_fraction_max     0.578
_reflns_number_gt                2996
_reflns_number_total             3203
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ICA-2020-508-119639.cif
_cod_data_source_block           20151026LC_0m
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               1564585
_shelx_estimated_absorpt_t_min   0.771
_shelx_estimated_absorpt_t_max   0.813
_exptl_absorpt_special_details   SADABS
_shelx_res_checksum              51617
_shelx_hkl_checksum              85690