Unlocking the potential of organopalladium complexes for high-grade serous ovarian cancer therapy.
Scattolin, Thomas; Cavarzerani, Enrico; Alessi, Dario; Mauceri, Matteo; Botter, Eleonora; Tonon, Giovanni; Caligiuri, Isabella; Repetto, Ombretta; Kamensek, Urska; Brezar, Simona Kranjc; Dalla Pozza, Maria; Palazzolo, Stefano; Cemazar, Maja; Canzonieri, Vincenzo; Demitri, Nicola; Nolan, Steven P.; Gasser, Gilles; Visentin, Fabiano; Rizzolio, Flavio; Dalton transactions (Cambridge, England : 2003) 54 (2025) 4685–4696; doi:10.1039/d5dt00194c

data_7718061
_publ_section_title
;
 Unlocking the potential of organopalladium complexes for high-grade
 serous ovarian cancer therapy.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4685
_journal_page_last               4696
_journal_paper_doi               10.1039/d5dt00194c
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C25 H23 Cl N2 O8 Pd'
_chemical_formula_sum            'C25 H23 Cl N2 O8 Pd'
_chemical_formula_weight         621.30
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-03-27 deposited with the CCDC.	2025-02-14 downloaded from the CCDC.
;
_cell_angle_alpha                76.16(3)
_cell_angle_beta                 83.51(3)
_cell_angle_gamma                77.13(3)
_cell_formula_units_Z            2
_cell_length_a                   8.605(2)
_cell_length_b                   8.866(2)
_cell_length_c                   17.383(3)
_cell_measurement_reflns_used    14862
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.100
_cell_measurement_theta_min      1.054
_cell_volume                     1252.8(5)
_computing_cell_refinement       'XDS (Kabsch, 2010)'
_computing_data_collection       'Elettra XRD2 Data Collection SW'
_computing_data_reduction        'XDS (Kabsch, 2010)'
_computing_molecular_graphics    'Ortep3 for Windows - Coot'
_computing_publication_material  'enCIFer - publCIF'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.900
_diffrn_measurement_device_type
;
'Arinax MD2s Goniometer, Pilatus 6M detector'
;
_diffrn_measurement_method       'Rotating crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.620
_diffrn_reflns_av_R_equivalents  0.0741
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.900
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            89496
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.900
_diffrn_reflns_theta_full        21.839
_diffrn_reflns_theta_max         31.100
_diffrn_reflns_theta_min         1.054
_diffrn_source                   'Elettra Synchrotron - XRD2 BL'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.617
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_description       'Thick plates'
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.036
_refine_diff_density_min         -1.363
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         10923
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+0.7236P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0853
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10662
_reflns_number_total             10923
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt00194c2.cif
_cod_data_source_block           DA9
_cod_depositor_comments
'Adding full bibliography for 7718057--7718061.cif.'
_cod_original_cell_volume        1252.9(5)
_cod_database_code               7718061
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.941
_shelx_estimated_absorpt_t_max   0.988
_shelx_res_checksum              16554