Information card for entry 4066206

Structure parameters

• Formula: C20 H20 B4 F4 Mn2 O4
• Calculated formula: C21 H30 B F4 Mn O3
• SMILES: [B](F)(F)(F)[F-].[Mn]12345([c]6([c]1(CC)[c]5([c]3([c]2([c]46CC)CC)CC)CC)CC)(C#[O])(C#[O])C#[O]
• Title of publication: Electrochemical Study of Manganese and Rhenium Arene Complexes (C6R6)M(CO)3+(R = Me, Et)§
• Authors of publication: Dai, Wei; Kim, Sang Bok; Pike, Robert D.; Cahill, Christopher L.; Sweigart, Dwight A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5173
• a: 8.9357 ± 0.0018 Å
• b: 14.007 ± 0.003 Å
• c: 17.48 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2187.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No