Information card for entry 7111248

Structure parameters

• Common name: 99357
• Formula: C50 H70 K Nb O13 P2
• Calculated formula: C50 H70 K Nb O13 P2
• Title of publication: Tris(1-4-η4-anthracene)niobate(1‒), the first polyaromatic hydrocarbon complex of niobium
• Authors of publication: Brennessel, William W.; Ellis, John E.; Roush, Sergey N.; Strandberg, Brian R.; Woisetschläger, Oliver E.; Young, Victor G.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 2356
• a: 13.685 ± 0.002 Å
• b: 13.686 ± 0.002 Å
• c: 14.975 ± 0.002 Å
• α: 90.733 ± 0.003°
• β: 100.912 ± 0.002°
• γ: 113.307 ± 0.002°
• Cell volume: 2517.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No