Information card for entry 7039249

Structure parameters

• Formula: C48 H40 N15 Nb O P2
• Calculated formula: C48 H40 N15 Nb O P2
• SMILES: [Nb](=O)(N=N#N)(N=N#N)(N=N#N)(N=N#N)N=N#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The niobium oxoazides [NbO(N3)3], [NbO(N3)3·2CH3CN], [(bipy)NbO(N3)3], Cs2[NbO(N3)5] and [PPh4]2[NbO(N3)5].
• Authors of publication: Haiges, Ralf; Vasiliu, Monica; Dixon, David A.; Christe, Karl O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10523 - 10529
• a: 12.9621 ± 0.0012 Å
• b: 13.284 ± 0.0012 Å
• c: 14.0506 ± 0.0013 Å
• α: 86.124 ± 0.002°
• β: 85.66 ± 0.002°
• γ: 73.985 ± 0.001°
• Cell volume: 2316 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No