Information card for entry 7115027

Structure parameters

• Formula: C21 H27 K Mn O1.5
• Calculated formula: C21.54 H15 K Mn O2.01
• Title of publication: The first observation of the [Cp3Mn]‒ anion; structures of hexagonal [(η2-Cp)3MnK·1.5thf] and ion-separated [(η2-Cp)3Mn]2[Mg(thf)6]·2thf
• Authors of publication: Bond, Andrew D.; Layfield, Richard A.; MacAllister, Judith A.; Rawson, Jeremy M.; Wright, Dominic S.; McPartlin, Mary
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 1956
• a: 9.086 ± 0.0013 Å
• b: 9.086 ± 0.0013 Å
• c: 19.164 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1370.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections: 0.3169
• Weighted residual factors for significantly intense reflections: 0.229
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No