A synthetic approach to heteroleptic Zn2Ln2 complexes featuring photoluminescence, antibacterial and anticancer properties
Uvarova, Marina A.; Dolgushin, Fedor M.; Shender, Victoriya O.; Metlin, Mikhail T.; Metlina, Daria A.; Taydakov, Ilya V.; Bekker, Olga B.; Lutsenko, Irina A.; Eremenko, Igor L.; New Journal of Chemistry 49 (2025) 3236–3247; doi:10.1039/D4NJ05283H

data_7063622
_publ_section_title
;
 A synthetic approach to heteroleptic Zn2Ln2 complexes featuring
 photoluminescence, antibacterial and anticancer properties
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3236
_journal_page_last               3247
_journal_paper_doi               10.1039/D4NJ05283H
_journal_volume                  49
_journal_year                    2025
_chemical_formula_moiety         'C64 H96 Eu2 N4 O20 Zn2, 2(C F3 O3 S), C2 H3 N'
_chemical_formula_sum            'C68 H99 Eu2 F6 N5 O26 S2 Zn2'
_chemical_formula_weight         2015.30
_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
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-01-11 deposited with the CCDC.	2025-01-21 downloaded from the CCDC.
;
_cell_angle_alpha                88.419(6)
_cell_angle_beta                 70.048(6)
_cell_angle_gamma                80.180(6)
_cell_formula_units_Z            1
_cell_length_a                   11.593(4)
_cell_length_b                   12.012(5)
_cell_length_c                   16.849(6)
_cell_measurement_reflns_used    8314
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.87
_cell_measurement_theta_min      2.11
_cell_volume                     2172.0(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20737
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         2.183
_exptl_absorpt_coefficient_mu    2.103
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_description       needle
_exptl_crystal_F_000             1022
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.832
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         9457
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0321
_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^)+(0.0444P)^2^+0.7647P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0840
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7899
_reflns_number_total             9457
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nj05283h2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7063621--7063622.cif.'
_cod_database_code               7063622
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.611
_shelx_estimated_absorpt_t_max   0.959
_shelx_res_checksum              52690