Information card for entry 4337865

Structure parameters

• Chemical name: N,N'-3,7-diazabicyclo[3.3.1]nonane-oxalato-platinum(ii)
• Formula: C9 H14 N2 O4 Pt
• Calculated formula: C9 H14 N2 O4 Pt
• SMILES: [Pt]12(OC(=O)C(=O)O1)[NH]1CC3C[NH]2CC(C1)C3
• 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: 7.0242 ± 0.0008 Å
• b: 7.8624 ± 0.0009 Å
• c: 10.0847 ± 0.0011 Å
• α: 94.501 ± 0.001°
• β: 105.465 ± 0.001°
• γ: 99.269 ± 0.001°
• Cell volume: 525.44 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0252
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No