Information card for entry 4336502

Structure parameters

• Formula: C6 H17 Cl2 N3 O5 Pt
• Calculated formula: C6 H17 Cl2 N3 O5 Pt
• SMILES: [Pt](Cl)(Cl)(OC=O)(OC=O)([NH3])[NH3].O=C(N(C)C)C
• Title of publication: Monofunctional and Higher-Valent Platinum Anticancer Agents
• Authors of publication: Timothy C. Johnstone; Justin J. Wilson; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12234 - 12249
• a: 7.6011 ± 0.0008 Å
• b: 8.9779 ± 0.001 Å
• c: 10.4662 ± 0.0011 Å
• α: 94.369 ± 0.002°
• β: 96.246 ± 0.002°
• γ: 107.314 ± 0.002°
• Cell volume: 673.37 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No