Information card for entry 4088651

Structure parameters

• Formula: C30 H50 Mn
• Calculated formula: C30 H50 Mn
• Title of publication: Closing the Gap: Preparation and Characterization of the First Half-Open and Open Manganocene Complexes
• Authors of publication: Reiners, Matthias; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1986
• a: 10.1685 ± 0.0003 Å
• b: 27.0688 ± 0.0006 Å
• c: 20.3896 ± 0.0005 Å
• α: 90°
• β: 92.203 ± 0.003°
• γ: 90°
• Cell volume: 5608.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No