Information card for entry 7116550

Structure parameters

• Formula: C92 H94 Cl2 Nb O4
• Calculated formula: C92 H94 Cl2 Nb 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: 15.8132 ± 0.0005 Å
• b: 14.3842 ± 0.0004 Å
• c: 17.9838 ± 0.0005 Å
• α: 90°
• β: 111.412 ± 0.002°
• γ: 90°
• Cell volume: 3808.3 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0538
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No