Designing mitophagy-targeted robustine- and 4-acridinol-rhodium(III) coordination compounds to overcome cisplatin resistance in A549/DDP lung cancer cells
Shao, Tai-ming; Liao, Hai-Xia; Li, Qiu-Ming; Tan, Mingxiong; Liang, Chun-Jie; Liang, Hong; Qin, Qi-Pin; New Journal of Chemistry  (2026) –; doi:10.1039/D5NJ02700D

data_7064149
_publ_section_title
;
 Designing mitophagy-targeted robustine- and 4-acridinol-rhodium(III)
 coordination compounds to overcome cisplatin resistance in A549/DDP lung
 cancer cells
;
_journal_name_full               'New Journal of Chemistry'
_journal_paper_doi               10.1039/D5NJ02700D
_journal_year                    2026
_chemical_formula_moiety         'C60 H46 N2 O6 P2 Rh, Cl, 3(C H4 O)'
_chemical_formula_sum            'C63 H58 Cl N2 O9 P2 Rh'
_chemical_formula_weight         1187.41
_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   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2023-04-21
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2025-11-24 deposited with the CCDC.	2025-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                96.8680(10)
_cell_angle_beta                 99.566(2)
_cell_angle_gamma                107.8630(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7749(4)
_cell_length_b                   13.8665(4)
_cell_length_c                   18.1394(7)
_cell_measurement_reflns_used    9886
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.308
_cell_measurement_theta_min      2.393
_cell_volume                     2733.48(16)
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0706
_diffrn_reflns_av_unetI/netI     0.0356
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            97217
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.440
_diffrn_reflns_theta_min         2.113
_exptl_absorpt_coefficient_mu    0.481
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0112
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0772 before and 0.0676 after correction.
The Ratio of minimum to maximum transmission is 0.4058.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_description       block
_exptl_crystal_F_000             1228
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.41
_refine_diff_density_max         0.379
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     711
_refine_ls_number_reflns         11211
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0405
_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^)+(0.0706P)^2^+1.2813P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1055
_refine_ls_wR_factor_ref         0.1176
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9158
_reflns_number_total             11211
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nj02700d2.cif
_cod_data_source_block           wf7
_cod_database_code               7064149
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.827
_shelx_estimated_absorpt_t_min   0.781
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C6(H6), C36(H36), C11(H11), C37(H37), C32(H32), C58(H58), C23(H23),
 C24(H24), C10(H10), C26(H26), C46(H46), C35(H35), C44(H44), C34(H34), C33(H33),
  C38(H38), C21(H21), C8(H8), C50(H50), C49(H49), C5(H5), C18(H18), C30(H30),
 C27(H27), C57(H57), C20(H20), C2(H2), C9(H9), C45(H45), C28(H28), C22(H22),
 C14(H14), C17(H17), C56(H56), C29(H29), C16(H16), C4(H4), C15(H15), C3(H3)
2.b Idealised Me refined as rotating group:
 C48(H48A,H48B,H48C), C63(H63A,H63B,H63C), C62(H62A,H62B,H62C), C60(H60A,H60B,
 H60C), C61(H61A,H61B,H61C)
2.c Idealised tetrahedral OH refined as rotating group:
 O9(H9A), O8(H8A), O7(H7)
;
_shelx_res_checksum              14163
_olex2_submission_special_instructions 'No special instructions were received'