Visual sensing Ni2+ in real samples with test paper based on a new dinuclear terbium complex
Cai, Ziyan; Li, Ping; Yu, Xiaobo; Lai, Lin; Yu, Cilin; Hu, Yuan; Gao, Xiaolei; Zeng, Chenghui; CrystEngComm 27 (2025) 4304–4311; doi:10.1039/D5CE00117J

data_7250425
_publ_section_title
;
 Visual sensing Ni2+ in real samples with test paper based on a new
 dinuclear terbium complex
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              4304
_journal_page_last               4311
_journal_paper_doi               10.1039/D5CE00117J
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'C70 H36 Cl18 N4 O12 Tb2'
_chemical_formula_weight         2080.97
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-11-17 deposited with the CCDC.	2025-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.000(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.6656(7)
_cell_length_b                   13.5195(6)
_cell_length_c                   23.2999(11)
_cell_measurement_reflns_used    8906
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6500
_cell_measurement_theta_min      3.6520
_cell_volume                     4417.8(4)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_unetI/netI     0.0512
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            19470
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.273
_exptl_absorpt_coefficient_mu    2.187
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87680
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_description       block
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.176
_refine_diff_density_min         -0.763
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         7727
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.056
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0954P)^2^+9.6742P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1517
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6380
_reflns_number_total             7727
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ce00117j2.cif
_cod_data_source_block           2
_cod_depositor_comments          'Adding full bibliography for 7250425.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7250425
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              2745