Information card for entry 4064266

Structure parameters

• Chemical name: cis-3,4-dicymantrenyl-1,1,2,2,3,4,-hexafluorocyclobutane
• Formula: C20 H8 F6 Mn2 O6
• Calculated formula: C20 H8 F6 Mn2 O6
• SMILES: [Mn]1234(C#[O])([cH]5[cH]4[c]2([cH]1[cH]35)[C@]1(F)[C@@](F)(C(F)(F)C1(F)F)[c]12[Mn]345(C#[O])(C#[O])([cH]1[cH]5[cH]3[cH]24)C#[O])(C#[O])C#[O]
• Title of publication: Cymantrene- and Ferrocene-Based Complexes with Perfluorinated Bridging Moieties
• Authors of publication: Roemer, Max; Schmiel, Peter; Lentz, Dieter
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 2063
• a: 11.975 ± 0.003 Å
• b: 13.009 ± 0.004 Å
• c: 14.511 ± 0.004 Å
• α: 90°
• β: 113.393 ± 0.013°
• γ: 90°
• Cell volume: 2074.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No