Information card for entry 4064155

Structure parameters

• Formula: C29 H28 N4 O5 W
• Calculated formula: C29 H28 N4 O5 W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#CC(c1n(cc[n+]1C)C)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
• 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: 12.5 ± 0.003 Å
• b: 16.028 ± 0.003 Å
• c: 14.1 ± 0.003 Å
• α: 90°
• β: 95.04 ± 0.03°
• γ: 90°
• Cell volume: 2814 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No