Information card for entry 7116548

Structure parameters

• Formula: C151 H140 N2 Nb2 O4
• Calculated formula: C151 H140 N2 Nb2 O4
• SMILES: [Nb]12([Nb](Oc3c(cc(cc3C(c3ccccc3)c3ccccc3)C(C)(C)C)C(c3ccccc3)c3ccccc3)(Oc3c(cc(cc3C(c3ccccc3)c3ccccc3)C(C)(C)C)C(c3ccccc3)c3ccccc3)(=N1)N=2)(Oc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)Oc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Niobium-nitrides derived from nitrogen splitting
• Authors of publication: Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3526
• a: 24.645 ± 0.0006 Å
• b: 25.8062 ± 0.0005 Å
• c: 37.2338 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23680.5 ± 0.9 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2176
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2415
• Weighted residual factors for all reflections included in the refinement: 0.3249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No