Information card for entry 4113115

Structure parameters

• Common name: (F3CSO3)2Nb(N[Np]Ar)3
• Formula: C41 H47 F6 N3 Nb O6 S2
• Calculated formula: C41 H47 F6 N3 Nb O6 S2
• Title of publication: Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation
• Authors of publication: Joshua S. Figueroa; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13916 - 13917
• a: 12.7695 ± 0.0009 Å
• b: 16.2045 ± 0.0011 Å
• c: 22.624 ± 0.0015 Å
• α: 90°
• β: 91.802 ± 0.001°
• γ: 90°
• Cell volume: 4679.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No