Information card for entry 7053736

Structure parameters

• Formula: C28 H18 N3 O3 Re
• Calculated formula: C28 H18 N3 O3 Re
• SMILES: [Re]1([n]2ccccc2c2[n]1cccc2)(/N=C(\C#Cc1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: A new route for the synthesis of an alkylideneamido complex
• Authors of publication: Cuesta, Luciano; Morales, Dolores; Pérez, Julio; Miguel, Daniel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 917
• a: 11.039 ± 0.007 Å
• b: 11.132 ± 0.007 Å
• c: 20.671 ± 0.013 Å
• α: 90°
• β: 102.729 ± 0.011°
• γ: 90°
• Cell volume: 2478 ± 3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No