Information card for entry 4104631

Structure parameters

• Common name: iPr3SiPNb[Np]Ar)3
• Formula: C48 H81 N3 Nb P Si
• Calculated formula: C48 H81 N3 Nb P Si
• SMILES: [Nb](=P[Si](C(C)C)(C(C)C)C(C)C)(N(c1cc(C)cc(C)c1)CC(C)(C)C)(N(c1cc(C)cc(C)c1)CC(C)(C)C)N(c1cc(C)cc(C)c1)CC(C)(C)C
• Title of publication: An Unusual P-P Double Bond Formed via Phospha-Wittig Transformation of a Terminal PO Complex
• Authors of publication: Nicholas A. Piro; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8764 - 8765
• a: 11.9212 ± 0.0014 Å
• b: 13.8989 ± 0.0016 Å
• c: 15.3715 ± 0.0018 Å
• α: 86.97 ± 0.002°
• β: 84.26 ± 0.002°
• γ: 84.825 ± 0.002°
• Cell volume: 2521.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No