Information card for entry 4077065

Structure parameters

• Common name: [Mo(butadiene)3]
• Formula: C12 H18 Mo
• Calculated formula: C12 H18 Mo
• Title of publication: Trigonal Prismatic Structure of Tris(butadiene)molybdenum and Related Complexes Revisited: Diolefin or Metallacyclopentene Coordination?
• Authors of publication: Kaupp, Martin; Kopf, Thomas; Murso, Alexander; Stalke, Dietmar; Strohmann, Carsten; Hanks, John R.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 5021
• a: 7.2142 ± 0.001 Å
• b: 7.2142 ± 0.001 Å
• c: 11.802 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 531.94 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No