Information card for entry 4076718

Structure parameters

• Formula: C20 H17 N2 O8 Re
• Calculated formula: C20 H17 N2 O8 Re
• SMILES: [n]12[Re]([n]3c(c2cccc1)cccc3)(C#[O])(C#[O])(C#[O])/C(=C(C(=O)OC)\OC)C(=O)OC
• Title of publication: Reactive Alkoxide Complexes of Groups 6 and 7 Metals
• Authors of publication: Hevia, Eva; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1750
• a: 9.2239 ± 0.0014 Å
• b: 16.112 ± 0.002 Å
• c: 14.82 ± 0.002 Å
• α: 90°
• β: 97.487 ± 0.003°
• γ: 90°
• Cell volume: 2183.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No