Information card for entry 1571000

Structure parameters

• Formula: C23 H23 Fe N9 O4 Pt
• Calculated formula: C23 H23 Fe N9 O4 Pt
• SMILES: [Pt](O)(OC(=O)CNC(=O)[c]12[cH]3[Fe]4567891([cH]1[cH]5[cH]4[cH]8[cH]71)[cH]([cH]39)[cH]26)([n]1ccccc1)(N=N#N)([n]1ccccc1)N=N#N
• Title of publication: Tuning the photoactivated anticancer activity of Pt(iv) compounds <i>via</i> distant ferrocene conjugation.
• Authors of publication: Shi, Huayun; Ponte, Fortuna; Grewal, Jaspreet S.; Clarkson, Guy J.; Imberti, Cinzia; Hands-Portman, Ian; Dallmann, Robert; Sicilia, Emilia; Sadler, Peter J.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 4121 - 4134
• a: 15.1269 ± 0.0003 Å
• b: 10.50172 ± 0.00017 Å
• c: 16.1559 ± 0.0003 Å
• α: 90°
• β: 101.425 ± 0.0019°
• γ: 90°
• Cell volume: 2515.65 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No