Indium(III)-terpyridine complexes: synthesis, structures and remarkable antifungal and anticancer activities.
Chen, Xiao; Zhang, Qinguo; Kaswer, Ashley; Kim, Hyunjeong; Ahmed, Maisha; Neary, Michelle C.; Cheng, Shu-Yuan; Zhang, Guoqi; Rauceo, Jason M.; Dalton transactions (Cambridge, England : 2003) 54 (2025) 4656–4663; doi:10.1039/d4dt03492a

data_7717991
_publ_section_title
;
 Indium(III)-terpyridine complexes: synthesis, structures and remarkable
 antifungal and anticancer activities.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4656
_journal_page_last               4663
_journal_paper_doi               10.1039/d4dt03492a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C15 H10 Cl4 In N3, 1.5(C H4 O)'
_chemical_formula_sum            'C16.5 H16 Cl4 In N3 O1.5'
_chemical_formula_weight         536.94
_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   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-08-16 deposited with the CCDC.	2025-02-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.9160(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.1149(3)
_cell_length_b                   15.2796(3)
_cell_length_c                   19.7365(5)
_cell_measurement_reflns_used    9617
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      33.74
_cell_measurement_theta_min      2.28
_cell_volume                     3954.50(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX4'
_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 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 with PHOTON III detector'
_diffrn_measurement_method       '\f and \w shutterless scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            159273
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.793
_diffrn_reflns_theta_min         2.047
_exptl_absorpt_coefficient_mu    1.750
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.6013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_description       block
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.550
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.847
_refine_diff_density_min         -1.192
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         15835
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0372P)^2^+5.2670P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0826
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13419
_reflns_number_total             15835
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03492a2.cif
_cod_data_source_block           gz1665-13
_cod_depositor_comments
'Adding full bibliography for 7717989--7717991.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C16.50 H16 Cl4 In N3 O1.50'
_cod_database_code               7717991
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.446
_shelx_estimated_absorpt_t_max   0.933
_shelx_res_checksum              41335