Information card for entry 4334420

Structure parameters

• Formula: C48 H60 Br N O2 P2 Pt
• Calculated formula: C48 H60 Br N O2 P2 Pt
• SMILES: [Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc2c3c1cccc3c1c3c2ccc2c3c(cc1)C(=O)N(C2=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C
• 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: 13.875 ± 0.003 Å
• b: 19.665 ± 0.004 Å
• c: 15.956 ± 0.003 Å
• α: 90°
• β: 90.135 ± 0.002°
• γ: 90°
• Cell volume: 4353.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No