Information card for entry 4074218

Structure parameters

• Formula: C28 H52 B2 N2 P2 Pt V
• Calculated formula: C28 H52 B2 N2 P2 Pt V
• SMILES: [Pt]1(B([c]23[V]456789%10%11%12([cH]([cH]2%10)[cH]5[cH]3%11)[CH]2=[CH]4[CH]7=[CH]8=[CH]6=[CH]%12C92B1N(C)C)N(C)C)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]
• Authors of publication: Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4433
• a: 8.5651 ± 0.0001 Å
• b: 17.6564 ± 0.0003 Å
• c: 21.235 ± 0.0004 Å
• α: 90°
• β: 91.24 ± 0.001°
• γ: 90°
• Cell volume: 3210.59 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0205
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No