Information card for entry 7116549

Structure parameters

• Formula: C165 H156 Cl6 Nb2 O4
• Calculated formula: C165 H156 Cl6 Nb2 O4
• 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: 18.1297 ± 0.0008 Å
• b: 15.6334 ± 0.0008 Å
• c: 26.09 ± 0.0012 Å
• α: 90°
• β: 93.396 ± 0.003°
• γ: 90°
• Cell volume: 7381.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No