Information card for entry 4334415

Structure parameters

• Formula: C26 H38 Br2 P2 Pt
• Calculated formula: C26 H38 Br2 P2 Pt
• SMILES: [Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1c(Br)c2ccccc2c2ccccc12
• 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: 11.7701 ± 0.001 Å
• b: 16.9197 ± 0.0014 Å
• c: 14.0443 ± 0.0011 Å
• α: 90°
• β: 91.045 ± 0.002°
• γ: 90°
• Cell volume: 2796.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1176
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No