Information card for entry 1517246

Structure parameters

• Chemical name: (OC-6-22)-ethane-1,2-diamine(3-methylmalonato)platinum(IV)
• Formula: C16 H31 N3 O11 Pt
• Calculated formula: C16 H29 N3 O11 Pt
• SMILES: [Pt]123(OC(=O)C(C(=O)O1)C)(OC(=O)C(C(=O)O2)C)[NH2]CC[NH2]3.O=C(C)C.O=CN(C)C.O
• Title of publication: A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs.
• Authors of publication: Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2014
• Journal volume: 57
• Journal issue: 15
• Pages of publication: 6751 - 6764
• a: 13.8623 ± 0.0004 Å
• b: 8.618 ± 0.0002 Å
• c: 18.7397 ± 0.0005 Å
• α: 90°
• β: 97.841 ± 0.001°
• γ: 90°
• Cell volume: 2217.81 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No