Re(I)-quinolinate-pyridyl complexes with disubstituted benzimidazole pharmacophores as anticancer agents.
Borkar, Reema L.; Putta, Chandra Lekha; Platto, Merlin; Beniwal, Nitisha; Banoth, Bharati; Mehata, Abhishesh Kumar; Ramasamy, Shanmugam; Rengan, Aravind Kumar; Dalton transactions (Cambridge, England : 2003) 54 (2025) 17531–17545; doi:10.1039/d5dt01577d

data_7719784
_publ_section_title
;
 Re(I)-quinolinate-pyridyl complexes with disubstituted benzimidazole
 pharmacophores as anticancer agents.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17531
_journal_page_last               17545
_journal_paper_doi               10.1039/d5dt01577d
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C24 H12 Cl2 N4 O4 Re'
_chemical_formula_sum            'C24 H12 Cl2 N4 O4 Re'
_chemical_formula_weight         677.48
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-05-14 deposited with the CCDC.	2025-10-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.226(2)
_cell_angle_gamma                90
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_cell_length_b                   12.4925(7)
_cell_length_c                   13.8159(8)
_cell_measurement_reflns_used    9844
_cell_measurement_temperature    194(2)
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_cell_volume                     2284.7(2)
_computing_cell_refinement       'Bruker SAINT'
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_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      194(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_coefficient_mu    5.593
_exptl_absorpt_correction_T_max  0.725
_exptl_absorpt_correction_T_min  0.695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_description       Block
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_exptl_crystal_size_mid          0.100
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         33910
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0363
_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^)+(0.0340P)^2^+2.6009P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.0958
_reflns_Friedel_coverage         0.000
_reflns_number_gt                30204
_reflns_number_total             33910
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01577d2.cif
_cod_data_source_block           MS204_Re-Cl
_cod_depositor_comments
'Adding full bibliography for 7719780--7719784.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7719784
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              30420
_shelx_hkl_checksum              84279