Multifunctional ZnII‒LnIII (Ln = Tb, Dy) complexes based on the amine-phenol ligand with field-induced slow magnetic relaxation, luminescence, and proton conduction
Zhang, Xiao-Nuan; Hu, Jun-Jie; Zhang, Jia-Li; Liu, Sui-Jun; Liao, Jin-Sheng; Wen, He-Rui; New Journal of Chemistry 45 (2021) 3392–3399; doi:10.1039/D0NJ04926C

data_7060171
_publ_section_title
;
 Multifunctional ZnII--LnIII (Ln = Tb, Dy) complexes based on the
 amine-phenol ligand with field-induced slow magnetic relaxation,
 luminescence, and proton conduction
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3392
_journal_page_last               3399
_journal_paper_doi               10.1039/D0NJ04926C
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C44 H70 Cl3 N4 O29 Tb Zn2'
_chemical_formula_weight         1515.05
_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
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-10-08 deposited with the CCDC.	2020-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                97.820(3)
_cell_angle_beta                 98.140(3)
_cell_angle_gamma                111.643(3)
_cell_formula_units_Z            2
_cell_length_a                   13.1190(15)
_cell_length_b                   14.3254(16)
_cell_length_c                   17.951(2)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4155
_cell_measurement_theta_min      2.9265
_cell_volume                     3038.5(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0778
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            52277
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.909
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.154
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_description       block
_exptl_crystal_F_000             1540
_refine_diff_density_max         2.263
_refine_diff_density_min         -1.273
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     763
_refine_ls_number_reflns         10709
_refine_ls_number_restraints     314
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0548
_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^)+(0.0358P)^2^+26.9633P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1446
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8168
_reflns_number_total             10709
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj04926c2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7060170--7060171.cif.'
_cod_database_code               7060171
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              42605