Information card for entry 7021015

Structure parameters

• Formula: C19 H11 O5 Re
• Calculated formula: C19 H11 O5 Re
• SMILES: [Re](/C(=C/c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Radical-chain oxidative addition mechanism for the reaction of an [Re(CO)(5)](-) anion with α-bromostilbene.
• Authors of publication: Sazonov, Petr K.; Ptushkin, Dmitry S.; Khrustalev, Victor N.; Kolotyrkina, Natal'ya G.; Beletskaya, Irina P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 4223 - 4232
• a: 7.4699 ± 0.0003 Å
• b: 34.0964 ± 0.0014 Å
• c: 6.7664 ± 0.0003 Å
• α: 90°
• β: 92.041 ± 0.001°
• γ: 90°
• Cell volume: 1722.29 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No