Information card for entry 4337861

Structure parameters

• Chemical name: N,N'-3,7-diazabicyclo[3.3.1]nonane-dichloro-platinum(ii)
• Formula: C7 H14 Cl2 N2 Pt
• Calculated formula: C7 H14 Cl2 N2 Pt
• SMILES: C1C2C[NH]3CC(C[NH]1[Pt]3(Cl)Cl)C2
• Title of publication: Bispidine Analogues of Cisplatin, Carboplatin, and Oxaliplatin. Synthesis, Structures, and Cytotoxicity.
• Authors of publication: Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard; Hamacher, Alexandra; Kassack, Matthias U.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3371
• a: 11.799 ± 0.0012 Å
• b: 7.0659 ± 0.0008 Å
• c: 12.1075 ± 0.0005 Å
• α: 90°
• β: 91.753 ± 0.006°
• γ: 90°
• Cell volume: 1008.94 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0208
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No