Information card for entry 7003918

Structure parameters

• Formula: C44 H32 Br2 P2 Pt
• Calculated formula: C44 H32 Br2 P2 Pt
• SMILES: [Pt]1([P](c2ccccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccccc1Br)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: 8.8929 ± 0.0003 Å
• b: 10.7362 ± 0.0004 Å
• c: 21.0258 ± 0.0007 Å
• α: 80.862 ± 0.002°
• β: 88.179 ± 0.002°
• γ: 68.483 ± 0.002°
• Cell volume: 1843.09 ± 0.11 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No