Information card for entry 7710803

Structure parameters

• Formula: C42 H41 Nb
• Calculated formula: C42 H41 Nb
• Title of publication: A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways
• Authors of publication: de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 24.167 ± 0.0015 Å
• b: 14.2843 ± 0.001 Å
• c: 18.8613 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6511.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No