Information card for entry 4334408

Structure parameters

• Formula: C20 H39 Br O2 P2 Pt
• Calculated formula: C20 H39 Br O2 P2 Pt
• SMILES: [Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1c(OC)cccc1OC
• Title of publication: High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes
• Authors of publication: Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4113 - 4119
• a: 13.4672 ± 0.0015 Å
• b: 14.7999 ± 0.0016 Å
• c: 25.154 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5013.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No