Information card for entry 7003917

Structure parameters

• Formula: C44 H32 Br2 P2 Pt
• Calculated formula: C44 H32 Br2 P2 Pt
• SMILES: [C]1(=[C](c2ccccc2Br)[Pt]21[P](c1ccccc1[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1Br
• Title of publication: Selective carbon‒carbon bond cleavage of 2,2'-dibromotolane via photolysis of its appropriate (diphosphine)Pt0 complex in the solid state
• Authors of publication: Petzold, Holm; Weisheit, Thomas; Görls, Helmar; Breitzke, Hergen; Buntkowsky, Gerd; Escudero, Daniel; González, Leticia; Weigand, Wolfgang
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 1979 - 1981
• a: 11.1456 ± 0.0004 Å
• b: 22.1637 ± 0.0007 Å
• c: 15.3986 ± 0.0004 Å
• α: 90°
• β: 106.71 ± 0.002°
• γ: 90°
• Cell volume: 3643.3 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No