Information card for entry 4064458

Structure parameters

• Formula: C20 H23 Cr F3 O12 S Sn
• Calculated formula: C20 H23 Cr F3 O12 S Sn
• SMILES: [Sn]12([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([OH2])c3c(cccc3C[O]2C)C[O]1C.S(=O)(=O)([O-])C(F)(F)F.O1CCCC1
• Title of publication: Chromiumpentacarbonyl-Coordinated Organotin(II) Cation
• Authors of publication: Dostálová, Romana; Dostál, Libor; Růžička, Aleš; Jambor, Roman
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2405
• a: 7.906 ± 0.0007 Å
• b: 10.3441 ± 0.0005 Å
• c: 17.581 ± 0.0009 Å
• α: 74.102 ± 0.004°
• β: 86.921 ± 0.005°
• γ: 84.011 ± 0.006°
• Cell volume: 1374.77 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No