Information card for entry 4325415

Structure parameters

• Formula: C14 H26 O8 Pt n2
• Calculated formula: C14 H26 N2 O8 Pt
• SMILES: [Pt]12(OC(=O)C3(CC(O)C3)C(=O)O1)[NH2]C[C@H]1OC(O[C@@H]1C[NH2]2)C(C)C.O.[Pt]12(OC(=O)C3(CC(O)C3)C(=O)O1)[NH2]C[C@@H]1OC(O[C@H]1C[NH2]2)C(C)C.O
• Title of publication: A novel Water-Soluble Heptaplatin Analogue with Improved Antitumor Activity and Reduced Toxicity
• Authors of publication: Weiping Liu; Xizhu Chen; Qingsong Ye; Yongping Xu; Chengying Xie; Mingjin Xie; Qiaowen Chang; Liguang Lou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5324 - 5326
• a: 11.1235 ± 0.0012 Å
• b: 13.6608 ± 0.0015 Å
• c: 13.8965 ± 0.0015 Å
• α: 73.097 ± 0.001°
• β: 75.166 ± 0.001°
• γ: 86.572 ± 0.001°
• Cell volume: 1952.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No