Information card for entry 4074219

Structure parameters

• Common name: Cyclopentadienylcycloheptatrienybis(trimethylsilylamino)borylvandadium
• Chemical name: Cyclopentadienylcycloheptatrienybis(trimethylsilylamino)borylvandadium
• Formula: C18 H28 B N Si2 V
• Calculated formula: C18 H28 B N Si2 V
• SMILES: [V]123456789%10%11[c]%12(B(N([Si](C)(C)C)[Si](C)(C)C)C%135[CH]6=[CH]7[CH]8=[CH]9[CH]%10=[CH]%11%13)[cH]1[cH]2[cH]3[cH]4%12
• 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: 15.0474 ± 0.0006 Å
• b: 12.3241 ± 0.0005 Å
• c: 10.9891 ± 0.0004 Å
• α: 90°
• β: 107.566 ± 0.002°
• γ: 90°
• Cell volume: 1942.85 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No