Information card for entry 5000314

Structure parameters

• Formula: C47 H87 N O6 W2
• Calculated formula: C47 H87 N O6 W2
• Title of publication: Preparation and Characterization of 1,3-Butadiene and Isoprene Complexes, W~2~(OCH~2~^t^Bu)~6~(diene)(py), and Studies of the Selective Hydrogenation of 1,3-Dienes
• Authors of publication: Barry, Jane T.; Bollinger, John C.; Chisholm, Malcolm H.; Glasgow, Katherine C.; Huffman, John C.; Lucas, Eric A.; Lubkovsky, Emil B.; Streib, William E.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2300 - 2308
• a: 10.52 ± 0.003 Å
• b: 18.475 ± 0.005 Å
• c: 26.692 ± 0.007 Å
• α: 90°
• β: 98.13 ± 0.015°
• γ: 90°
• Cell volume: 5135.5 ± 2.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0908
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.0945
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No