Information card for entry 7032866

Structure parameters

• Chemical name: fac-triamminetrichloroplatinum(IV) chloride mono(dimethylformamide)
• Formula: C3 H16 Cl4 N4 O Pt
• Calculated formula: C3 H16 Cl4 N4 O Pt
• SMILES: [Pt](Cl)(Cl)(Cl)([NH3])([NH3])[NH3].[Cl-].O=CN(C)C
• Title of publication: Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.
• Authors of publication: Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 119 - 129
• a: 6.3996 ± 0.0014 Å
• b: 10.711 ± 0.002 Å
• c: 18.334 ± 0.004 Å
• α: 90°
• β: 96.665 ± 0.003°
• γ: 90°
• Cell volume: 1248.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No