Information card for entry 4073212

Structure parameters

• Formula: C17 H25 Cr F2 N2
• Calculated formula: C17 H25 Cr F2 N2
• SMILES: [Cr]1234(F)(F)([n]5ccc(N(C)C)cc5)[c]5([c]4([c]3([c]2([c]15C)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: 7.4526 ± 0.0002 Å
• b: 8.5308 ± 0.0004 Å
• c: 14.9544 ± 0.0008 Å
• α: 79.848 ± 0.003°
• β: 82.488 ± 0.003°
• γ: 65.649 ± 0.003°
• Cell volume: 850.82 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No