Information card for entry 4088650

Structure parameters

• Formula: C30 H52 Mn
• Calculated formula: C30 H52 Mn
• SMILES: [Mn]12345([CH2]=C(C=C(C1)C(C)(C)C)C(C)(C)C)[c]1([c]2([cH]3[c]4([cH]51)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 15.3055 ± 0.0007 Å
• b: 9.788 ± 0.0004 Å
• c: 19.7121 ± 0.0009 Å
• α: 90°
• β: 108.81 ± 0.005°
• γ: 90°
• Cell volume: 2795.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No