Information card for entry 4064154

Structure parameters

• Formula: C17 H20 Cr N O6
• Calculated formula: C17 H20 Cr N O6
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C(=C=C(CC)CC)C(=[N+](C)C)OCC
• Title of publication: Amino-Substituted Butatrienes: Unusual η1Ligands Formed by an Unusual Reaction†
• Authors of publication: Reichmann, Bernhard; Drexler, Matthias; Weibert, Bernhard; Szesni, Normen; Strittmatter, Tobias; Fischer, Helmut
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1215
• a: 9.1653 ± 0.0018 Å
• b: 9.91 ± 0.002 Å
• c: 11.834 ± 0.002 Å
• α: 89.59 ± 0.03°
• β: 72.69 ± 0.03°
• γ: 66.44 ± 0.03°
• Cell volume: 932.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.061
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No