Insertion of SnCl₂ into the Pd–Cl Bond: Mechanistic Elucidation and Antitumor Evaluation of Trichlorostannyl Palladium-NHC Allyl Complexes in Ovarian Cancer Models
Botter, Eleonora; Lauteri, Valentina; Rubbi, Alessandro; Orian, Laura; Forner, Matteo; Gandin, Valentina; Demitri, Nicola; Canzonieri, Vincenzo; Rizzolio, Flavio; Cavarzerani, Enrico; Visentin, Fabiano; Scattolin, Thomas; Dalton Transactions  (2026) –; doi:10.1039/D6DT00680A

data_7720750
_publ_section_title
;
 Insertion of SnCl<sub>2</sub> into the Pd-Cl bond: mechanistic
 elucidation and antitumor evaluation of trichlorostannyl palladium-NHC
 allyl complexes in ovarian cancer models.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6351
_journal_page_last               6372
_journal_paper_doi               10.1039/d6dt00680a
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C30 H41 Cl3 N2 Pd Sn, C H2 Cl2'
_chemical_formula_sum            'C31 H43 Cl5 N2 Pd Sn'
_chemical_formula_weight         846.01
_space_group_crystal_system      orthorhombic
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-12-01 deposited with the CCDC.	2026-03-25 downloaded from the CCDC.
;
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_c                   20.112(4)
_cell_measurement_reflns_used    7856
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      31.103
_cell_measurement_theta_min      1.767
_cell_volume                     3754.8(13)
_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'
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_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device_type
;
'Arinax MD2s Goniometer, Pilatus 6M detector'
;
_diffrn_measurement_method       'Rotating crystal'
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_diffrn_reflns_av_R_equivalents  0.0864
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_k_min       -31
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_diffrn_reflns_number            85302
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_diffrn_reflns_point_group_measured_fraction_max 0.935
_diffrn_reflns_theta_full        21.839
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_diffrn_source                   'Elettra Synchrotron - XRD2 BL'
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_exptl_crystal_description       'Thick blocks'
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_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
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_refine_ls_extinction_coef       0.0130(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/3 (Sheldrick 2015)'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0945P)^2^+0.0979P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7720746--7720751.cif.'
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