Information card for entry 7111249

Structure parameters

• Common name: 00120
• Formula: C58 H62 K Nb O7
• Calculated formula: C58 H62 K Nb O7
• 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: 25.078 ± 0.002 Å
• b: 11.7341 ± 0.0007 Å
• c: 16.4872 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4851.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No