Investigation of binding tendency of Eu(III) and La(III)-Schiff base complexes to selected oxy-anions and amino acids
Al-Khalili, Asia N.; Al-Busaidi, Idris J.; Ilmi, Rashid; Al-Mandhary, Muna; Khan, Muhammad S.; Al-Rasbi, Nawal K.; Inorganica Chimica Acta 501 (2020) 119226–; doi:10.1016/j.ica.2019.119226

data_1565593
_publ_section_title
;
 Investigation of binding tendency of Eu(III) and La(III)-Schiff base
 complexes to selected oxy-anions and amino acids
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119226
_journal_paper_doi               10.1016/j.ica.2019.119226
_journal_volume                  501
_journal_year                    2020
_chemical_formula_sum            'C16 H28 Cl3 Eu N6 O7'
_chemical_formula_weight         674.75
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                79.1130(10)
_cell_angle_beta                 81.1460(10)
_cell_angle_gamma                85.8460(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5866(3)
_cell_length_b                   9.7464(3)
_cell_length_c                   13.8899(4)
_cell_measurement_reflns_used    7090
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.38
_cell_volume                     1258.00(7)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker smart'
_diffrn_measurement_method       'w scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15080
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.498
_diffrn_reflns_theta_min         2.130
_exptl_absorpt_coefficient_mu    2.858
_exptl_absorpt_correction_T_max  0.7631
_exptl_absorpt_correction_T_min  0.4616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.420
_refine_diff_density_min         -0.930
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4637
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0388P)^2^+0.6947P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0632
_refine_ls_wR_factor_ref         0.0651
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4257
_reflns_number_total             4637
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            EuL.cif
_cod_data_source_block           shelx
_cod_database_code               1565593
_shelx_estimated_absorpt_t_min   0.462
_shelx_estimated_absorpt_t_max   0.763
_shelx_res_checksum              97053
_shelx_hkl_checksum              90874