Dirhenium core-based cyclic and acyclic helicates as anticancer agents for breast cancer and skin cancer cells.
Kedia, Moon; Khatun, Sajmina; Arumugam, Ramar; Putta, Chandra Lekha; Shankar, Bhaskaran; Phukon, Upasana; Chandrasekhar, Vadapalli; Rengan, Aravind Kumar; Sathiyendiran, Malaichamy; Dalton transactions (Cambridge, England : 2003) 54 (2025) 16550–16561; doi:10.1039/d5dt01778e

data_7719663
_publ_section_title
;
 Dirhenium core-based cyclic and acyclic helicates as anticancer agents
 for breast cancer and skin cancer cells.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16550
_journal_page_last               16561
_journal_paper_doi               10.1039/d5dt01778e
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C58 H38 Br2 N6 O8 Re2'
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_space_group_name_H-M_alt        'P -1'
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_audit_update_record
;
2024-04-27 deposited with the CCDC.	2025-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                77.077(3)
_cell_angle_beta                 84.333(3)
_cell_angle_gamma                80.686(3)
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_cell_measurement_theta_max      26.5470
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_computing_data_collection       'CrysAlisPro 1.171.40.35a (Rigaku OD, 2018)'
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_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0982
_diffrn_reflns_av_unetI/netI     0.0689
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_number            28078
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        24.997
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_exptl_absorpt_correction_T_max  1.00000
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.35a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_description       Block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_refine_diff_density_max         2.440
_refine_diff_density_min         -1.683
_refine_diff_density_rms         0.218
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0523
_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^)+(0.0915P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1368
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3961
_reflns_number_total             4588
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01778e2.cif
_cod_data_source_block           MS327
_cod_depositor_comments
'Adding full bibliography for 7719663--7719666.cif.'
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_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.575
_shelx_estimated_absorpt_t_max   0.635
_shelx_res_checksum              37101
_shelx_hkl_checksum              93945