Information card for entry 4108231

Structure parameters

• Formula: C28 H50 B2 N2 P2 Pt V
• Calculated formula: C28 H50 B2 N2 P2 Pt V
• SMILES: [V]123456789%10%11[c]%12([cH]1[cH]2[cH]3[cH]4[cH]5%12)B([Pt](B([c]16[cH]7[cH]8[cH]9[cH]%10[cH]%111)N(C)C)([P](CC)(CC)CC)[P](CC)(CC)CC)N(C)C
• Title of publication: Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study
• Authors of publication: Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 11376 - 11393
• a: 11.5345 ± 0.0007 Å
• b: 15.7328 ± 0.001 Å
• c: 17.2495 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3130.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No