Information card for entry 4073215

Structure parameters

• Formula: C40 H60 Cr3 F5
• Calculated formula: C40 H60 Cr3 F5
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Cr]2345([F][Cr]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(F)F)(F)F)C)C)C)C.[c]12([c]3([c]4([c]5([c]1(C)[Cr]16782345[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C)C)C)C
• Title of publication: SF6as a Selective and Reactive Fluorinating Agent for Low-Valent Transition Metal Complexes#
• Authors of publication: Harvey, Benjamin G.; Arif, Atta M.; Glöckner, Andreas; Ernst, Richard D.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 2872
• a: 12.8139 ± 0.0002 Å
• b: 17.8524 ± 0.0004 Å
• c: 8.619 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1971.67 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No