Mono- and Bimetallic Homo- and Heterodinuclear Pd and Pt Complexes Bridged by Diphosphines: Synthesis, Characterisation and Cytotoxicity
Blom, Burgert; Prince, Sharon; Roufosse, Basile; Brice, Thomas; Papaldo, Marco; Macharia, Lucy; Serala, Karabo; Mlaza, Vuyo; Medupe, Thato; Marschner, Christoph; Cleij, Thomas; Dalton Transactions  (2026) –; doi:10.1039/D5DT02044A

data_7720005
_publ_section_title
;
 Mono- and Bimetallic Homo- and Heterodinuclear Pd and Pt Complexes
 Bridged by Diphosphines: Synthesis, Characterisation and Cytotoxicity
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D5DT02044A
_journal_year                    2026
_chemical_formula_moiety         'C26 H24 Cl P2 Pd, C H2 Cl2, C F3 O3 S'
_chemical_formula_sum            'C28 H26 Cl3 F3 O3 P2 Pd S'
_chemical_formula_weight         774.298
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_atom_sites_solution_primary     dual
_audit_creation_date             2024-09-24
_audit_creation_method
;
Olex2 1.5-ac6-020
(compiled 2024.02.14 svn.r2f8d729c for Rigaku Oxford Diffraction, GUI svn.r6966)
;
_audit_update_record
;
2025-07-07 deposited with the CCDC.	2025-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                117.4073(7)
_cell_angle_beta                 104.6035(6)
_cell_angle_gamma                95.7305(5)
_cell_formula_units_Z            2
_cell_length_a                   10.12541(6)
_cell_length_b                   13.02540(9)
_cell_length_c                   13.97395(11)
_cell_measurement_reflns_used    33738
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      77.4310
_cell_measurement_theta_min      3.7750
_cell_volume                     1532.45(2)
_computing_cell_refinement       'CrysAlisPro 1.171.43.106a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.106a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.106a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_structure_refinement
'olex2.refine 1.5-ac6-020 (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 100'
_diffrn_measured_fraction_theta_full 0.9995
_diffrn_measured_fraction_theta_max 0.9868
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w    -61.00  -1.00   0.50    0.05    --  -54.67  57.00 150.00  120
  2  \w    -49.00 -15.00   0.50    0.05    --  -54.67  46.00  82.00   68
  3  \w    -65.00  -5.00   0.50    0.05    --  -76.64  57.00  30.00  120
  4  \w   -125.00 -12.00   0.50    0.05    --  -76.64   0.00   0.00  226
  5  \w    -40.00 -14.00   0.50    0.05    --  -54.67  38.00 -90.00   52
  6  \w     -6.00  19.00   0.50    0.05    --  -54.67  38.00 -90.00   50
  7  \w     -3.00  22.00   0.50    0.05    --   20.00  79.00  59.48   50
  8  \w     16.00  42.00   0.50    0.05    --   32.00  63.00  86.57   52
  9  \w     23.00  49.00   0.50    0.05    --   36.00  60.00  20.95   52
 10  \w     25.00  51.00   0.50    0.05    --   40.00  59.00 110.35   52
 11  \w     25.00  50.00   0.50    0.05    --   40.00  59.00  -9.59   50
 12  \w     16.00  41.00   0.50    0.05    --   32.00  64.00 -72.18   50
 13  \w      6.00  31.00   0.50    0.05    --   24.00  71.00-173.77   50
 14  \w     16.00  41.00   0.50    0.05    --   32.00  64.00-105.74   50
 15  \w     25.00  50.00   0.50    0.05    --   40.00  58.00 153.12   50
 16  \w     88.00 125.00   0.50    0.05    --  101.05  19.00 150.00   74
 17  \w    104.00 150.00   0.50    0.05    --  101.05  77.00  60.00   92
 18  \w    101.00 166.00   0.50    0.05    --  101.05  77.00  30.00  130
 19  \w    141.00 167.00   0.50    0.05    --  101.05  57.00 150.00   52
 20  \w    108.00 152.00   0.50    0.05    --  101.05  77.00 -60.00   88
 21  \w    102.00 161.00   0.50    0.05    --  101.05  77.00 -90.00  118
 22  \w     90.00 124.00   0.50    0.05    --  101.05  57.00-150.00   68
 23  \w    120.00 146.00   0.50    0.05    --  101.05  77.00-180.00   52
 24  \w     89.00 118.00   0.50    0.05    --  101.05  57.00-180.00   58
 25  \w    148.00 174.00   0.50    0.05    --  101.05  57.00 -60.00   52
 26  \w    122.00 163.00   0.50    0.05    --  101.05  57.00   0.00   82
 27  \w     89.00 119.00   0.50    0.05    --  101.05  57.00   0.00   60
 28  \w     88.00 120.00   0.50    0.05    --  101.05  57.00 120.00   64
 29  \w     87.00 113.00   0.50    0.05    --  101.05  57.00  90.00   52
 30  \w     95.00 121.00   0.50    0.05    --  101.05  57.00 150.00   52
 31  \w    144.00 170.00   0.50    0.05    --  101.05  57.00  90.00   52
 32  \w     88.00 136.00   0.50    0.05    --  101.05  57.00  30.00   96
 33  \w     87.00 113.00   0.50    0.05    --  101.05  57.00  60.00   52
 34  \w    133.00 165.00   0.50    0.05    --  101.05  57.00 -30.00   64
 35  \w     87.00 120.00   0.50    0.05    --  101.05  57.00 -60.00   66
 36  \w     87.00 112.00   0.50    0.05    --  101.05  57.00 -30.00   50
 37  \w     89.00 122.00   0.50    0.05    --  101.05  57.00 -90.00   66
 38  \w    131.00 167.00   0.50    0.05    --  101.05  57.00-120.00   72
 39  \w    127.00 164.00   0.50    0.05    --  101.05  57.00-150.00   74
 40  \w     87.00 125.00   0.50    0.05    --  101.05  57.00-120.00   76
 41  \w     91.00 117.00   0.50    0.05    --   53.17  56.00 -65.18   52
 42  \w     42.00  67.00   0.50    0.05    --   53.17  56.00 -42.67   50
 43  \w     39.00  65.00   0.50    0.05    --   53.17  56.00 -65.18   52
 44  \w     39.00  65.00   0.50    0.05    --   53.17  55.00 -10.53   52
 45  \w     41.00  67.00   0.50    0.05    --   53.17  55.00  43.65   52
 46  \w     40.00  68.00   0.50    0.05    --   52.00  57.00  60.86   56
 47  \w     41.00  68.00   0.50    0.05    --   52.00  57.00 164.81   54
 48  \w    124.00 170.00   0.50    0.05    --  101.05  57.00 120.00   92
 49  \w     91.00 136.00   0.50    0.05    --  101.05  38.00   0.00   90
 50  \w     89.00 176.00   0.50    0.05    --  101.05  38.00-180.00  174
 51  \w     26.00  51.00   0.50    0.05    --  101.05 -46.00 -66.00   50
 52  \w     34.00  60.00   0.50    0.05    --  101.05 -57.00-180.00   52
 53  \w     35.00  67.00   0.50    0.05    --  101.05 -77.00 -90.00   64
 54  \w     28.00  53.00   0.50    0.05    --  101.05 -57.00 -90.00   50
 55  \w     31.00  63.00   0.50    0.05    --  101.05 -57.00   0.00   64
 56  \w     28.00  54.00   0.50    0.05    --  101.05 -57.00 -30.00   52
 57  \w    -31.00   0.00   0.50    0.05    --    8.00 105.00 -30.77   62
 58  \w     39.00  65.00   0.50    0.05    --  101.05 -57.00 120.00   52
 59  \w     41.00  73.00   0.50    0.05    --  101.05 -77.00 120.00   64
 60  \w     33.00  62.00   0.50    0.05    --  101.05 -57.00  30.00   58
 61  \w     45.00  83.00   0.50    0.05    --  101.05 -99.00   0.00   76
 62  \w     66.00 111.00   0.50    0.05    --  101.05-125.00 -60.00   90
 63  \w     37.00  77.00   0.50    0.05    --  101.05-125.00 -90.00   80
 64  \w     39.00  94.00   0.50    0.05    --   53.17-125.00-120.00  110
 65  \w     36.00  98.00   0.50    0.05    --   53.17-125.00 -30.00  124
 66  \w     66.00  94.00   0.50    0.05    --  101.05-125.00  90.00   56
 67  \w     34.00  60.00   0.50    0.05    --  101.05-125.00  90.00   52
 68  \w     34.00  63.00   0.50    0.05    --  101.05-125.00 150.00   58
 69  \w     76.00 105.00   0.50    0.05    --  101.05 -99.00 120.00   58
 70  \w     34.00 103.00   0.50    0.05    --   53.17-125.00 120.00  138
 71  \w     65.00 106.00   0.50    0.05    --  101.05 -99.00  30.00   82
 72  \w     36.00  75.00   0.50    0.05    --  101.05 -99.00  90.00   78
 73  \w     48.00  74.00   0.50    0.05    --  101.05 -99.00 120.00   52
 74  \w     79.00 105.00   0.50    0.05    --  101.05 -99.00  90.00   52
 75  \w     37.00 106.00   0.50    0.05    --  101.05 -99.00 -30.00  138
 76  \w     64.00 102.00   0.50    0.05    --  101.05 -99.00 -60.00   76
 77  \w     37.00 105.00   0.50    0.05    --  101.05 -99.00-150.00  136
 78  \w     53.00 105.00   0.50    0.05    --  101.05 -99.00-180.00  104
 79  \w    -46.00 -21.00   0.50    0.05    --  -36.00 -62.00  90.75   50
 80  \w    -91.00 -65.00   0.50    0.05    --  -80.00 -56.00 177.91   52
 81  \w    -66.00 -38.00   0.50    0.05    --  -52.00 -56.00 166.80   56
 82  \w    -91.00 -65.00   0.50    0.05    --  -80.00 -56.00  86.80   52
 83  \w    -92.00 -66.00   0.50    0.05    --  -80.00 -56.00 -23.88   52
 84  \w    -84.00 -58.00   0.50    0.05    --  -72.00 -55.00   7.51   52
 85  \w    -75.00 -50.00   0.50    0.05    --  -64.00 -55.00  44.83   50
 86  \w    -95.00 -70.00   0.50    0.05    --  -84.25 -55.00  41.47   50
 87  \w   -119.00 -87.00   0.50    0.05    --  -54.67 -57.00 -30.00   64
 88  \w   -149.00-123.00   0.50    0.05    --  -84.25 -55.00  41.47   52
 89  \w   -105.00 -67.00   0.50    0.05    --  -80.00 -55.00 -71.95   76
 90  \w    -91.00 -65.00   0.50    0.05    --  -80.00 -56.00-122.16   52
 91  \w   -118.00 -82.00   0.50    0.05    --  -54.67 -57.00-180.00   72
 92  \w   -105.00 -70.00   0.50    0.05    --  -84.25 -55.00-143.54   70
 93  \w    -98.00 -72.00   0.50    0.05    --  -84.25 -55.00 -47.47   52
 94  \w    -88.00 -62.00   0.50    0.05    --  -76.00 -54.00 -51.18   52
 95  \w    -91.00 -66.00   0.50    0.05    --  -80.00 -54.00   1.57   50
 96  \w    -64.00 -38.00   0.50    0.05    --  -52.00 -54.00 134.86   52
 97  \w    -95.00 -70.00   0.50    0.05    --  -84.25 -55.00 103.36   50
 98  \w    -97.00 -71.00   0.50    0.05    --  -84.25 -55.00  68.44   52
 99  \w   -138.00-102.00   0.50    0.05    --  -84.25 -54.00  -0.50   72
100  \w    -74.00 -41.00   0.50    0.05    --  -52.00 -54.00 -83.25   66
101  \w   -111.00 -70.00   0.50    0.05    --  -84.25 -54.00-165.40   82
102  \w   -157.00-103.00   0.50    0.05    --  -84.25 -53.00 -96.42  108
103  \w    -76.00 -50.00   0.50    0.05    --  -64.00 -53.00-159.11   52
104  \w    -79.00 -54.00   0.50    0.05    --  -68.00 -53.00-111.44   50
105  \w    -95.00 -70.00   0.50    0.05    --  -84.25 -54.00  -0.50   50
106  \w    -97.00 -70.00   0.50    0.05    --  -84.25 -53.00 -96.42   54
107  \w    -79.00 -54.00   0.50    0.05    --  -68.00 -54.00  99.88   50
108  \w    -89.00 -63.00   0.50    0.05    --  -76.00 -52.00  38.38   52
109  \w   -102.00 -73.00   0.50    0.05    --  -84.25 -50.00 123.82   58
110  \w    -95.00 -70.00   0.50    0.05    --  -84.25 -53.00 154.79   50
111  \w   -104.00 -70.00   0.50    0.05    --  -84.25 -54.00 143.45   68
112  \w   -150.00-121.00   0.50    0.05    --  -84.25 -53.00 154.79   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix-Arc 100'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0945836000
_diffrn_orient_matrix_UB_12      0.0369279000
_diffrn_orient_matrix_UB_13      0.0747437000
_diffrn_orient_matrix_UB_21      0.0240992000
_diffrn_orient_matrix_UB_22      0.1239233000
_diffrn_orient_matrix_UB_23      0.0104170000
_diffrn_orient_matrix_UB_31      -0.1298476000
_diffrn_orient_matrix_UB_32      -0.0471768000
_diffrn_orient_matrix_UB_33      -0.1082061000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_Laue_measured_fraction_full 0.9995
_diffrn_reflns_Laue_measured_fraction_max 0.9868
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            47101
_diffrn_reflns_point_group_measured_fraction_full 0.9995
_diffrn_reflns_point_group_measured_fraction_max 0.9868
_diffrn_reflns_theta_full        67.6840
_diffrn_reflns_theta_max         77.54
_diffrn_reflns_theta_min         3.79
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.344
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.34731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.106a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_description       block
_exptl_crystal_F_000             782.760
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.8015
_refine_diff_density_min         -1.2292
_refine_diff_density_rms         0.0934
_refine_ls_d_res_high            0.7895
_refine_ls_d_res_low             11.6777
_refine_ls_extinction_coef       0.00130(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_goodness_of_fit_ref   1.0352
_refine_ls_matrix_type           full
_refine_ls_number_constraints    49
_refine_ls_number_parameters     371
_refine_ls_number_reflns         6435
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0352
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0297
_refine_ls_shift/su_max          0.0007
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0366P)^2^+2.5404P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0739
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              14
_reflns_limit_k_min              -16
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                6384
_reflns_number_total             6435
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d5dt02044a2.cif
_cod_data_source_block           chm_8_Cu_auto
_cod_database_code               7720005
_chemical_oxdiff_formula         C20H20PdClSO3F3P2
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13a,H13b), C14(H14a,H14b), C41(H41a,H41b)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C12(H12), C30(H30), C2(H2), C3(H3), C23(H23), C28(H28), C22(H22),
 C26(H26), C5(H5), C11(H11), C31(H31), C4(H4), C8(H8), C24(H24), C25(H25),
 C32(H32), C29(H29), C10(H10), C9(H9)
;
_olex2_submission_original_sample_id chm_8_Cu
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.825
_oxdiff_exptl_absorpt_empirical_full_min 0.644