Information card for entry 4105311

Structure parameters

• Common name: niobium arsenide anion
• Formula: C63 H112 As N3 Na Nb O10
• Calculated formula: C63 H112 As N3 Na Nb O10
• SMILES: N(c1cc(cc(c1)C)C)(CC(C)(C)C)[Nb](N(c1cc(cc(c1)C)C)CC(C)(C)C)(N(c1cc(cc(c1)C)C)CC(C)(C)C)#[As].[O]12CC[O]3CC[O]4CC[O](CC1)[Na]156234[O]2CC[O]1CC[O]5CC[O]6CC2.CCOCC.CCOCC
• Title of publication: Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4
• Authors of publication: Heather A. Spinney; 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: 16233 - 16243
• a: 13.998 ± 0.003 Å
• b: 25.218 ± 0.005 Å
• c: 19.476 ± 0.004 Å
• α: 90°
• β: 95.353 ± 0.004°
• γ: 90°
• Cell volume: 6845 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No