Information card for entry 7017722

Structure parameters

• Formula: C40 H36 Cr F20 N O
• Calculated formula: C40 H36 Cr F20 N O
• SMILES: [Cr](=O)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A square-pyramidal organochromium(V) compound.
• Authors of publication: García-Monforte, M Angeles; Alonso, Pablo J.; Arauzo, Ana B.; Martín, Antonio; Menjón, Babil; Rillo, Conrado
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1297 - 1303
• a: 18.3583 ± 0.0002 Å
• b: 19.4978 ± 0.0002 Å
• c: 22.7303 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8136.23 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No