Information card for entry 7032864

Structure parameters

• Chemical name: cis,trans-diamminedihydroxo(1,1-cyclobutanedicaboxylato)platinum(IV) trihydrate
• Formula: C6 H20 N2 O9 Pt
• Calculated formula: C6 H20 N2 O9 Pt
• SMILES: [Pt]1(OC(=O)C2(CCC2)C(=O)O1)(O)(O)([NH3])[NH3].O.O.O
• Title of publication: Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.
• Authors of publication: Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 119 - 129
• a: 6.0601 ± 0.0003 Å
• b: 9.5144 ± 0.0004 Å
• c: 11.3376 ± 0.0005 Å
• α: 97.405 ± 0.001°
• β: 99.999 ± 0.001°
• γ: 91.296 ± 0.001°
• Cell volume: 637.73 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0148
• Residual factor for significantly intense reflections: 0.0138
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No