Information card for entry 7039248

Structure parameters

• Formula: C10 H8 N11 Nb O
• Calculated formula: C10 H8 N11 Nb O
• SMILES: c1cccc2c3cccc[n]3[Nb](N=N#N)(N=N#N)(N=N#N)([n]12)=O
• 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: 10.2393 ± 0.0008 Å
• b: 9.872 ± 0.0007 Å
• c: 14.4784 ± 0.0011 Å
• α: 90°
• β: 98.46 ± 0.001°
• γ: 90°
• Cell volume: 1447.59 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No