Information card for entry 7710801

Structure parameters

• Formula: C46 H52.33 Nb O
• Calculated formula: C42 H43 Nb O
• 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: 18.9136 ± 0.0015 Å
• b: 6.3645 ± 0.0005 Å
• c: 32.438 ± 0.003 Å
• α: 90°
• β: 100.554 ± 0.003°
• γ: 90°
• Cell volume: 3838.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No