Information card for entry 7008865

Structure parameters

• Formula: C46 H36 Br2 P2 Pt
• Calculated formula: C46 H36 Br2 P2 Pt
• SMILES: [Pt]12([P](c3ccccc3[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(=C2c1ccc(Br)cc1C)c1ccc(Br)cc1C
• Title of publication: Photochemical behavior of (diphosphine)(η(2)-tolane)Pt(0) complexes. Part A: Experimental considerations in solution and in the solid state.
• Authors of publication: Weisheit, Thomas; Escudero, Daniel; Petzold, Holm; Görls, Helmar; González, Leticia; Weigand, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9493 - 9504
• a: 20.5293 ± 0.0003 Å
• b: 16.4027 ± 0.0002 Å
• c: 23.2611 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7832.85 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No