Information card for entry 7044238

Structure parameters

• Chemical name: (Ethoxy-(thieno[2,3-b]thiophen-2-yl)-carbene)-nonacarbonyl-dirhenium
• Formula: C18 H8 O10 Re2 S2
• Calculated formula: C18 H8 O10 Re2 S2
• SMILES: [Re](C#[O])([Re](C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1sc2sccc2c1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Mono-, di- and tetrarhenium Fischer carbene complexes with thienothiophene substituents
• Authors of publication: Lamprecht, Zandria; Radhakrishnan, Shankara; Hildebrandt, Alexander; Lang, Heinrich; Liles, David Charles; Weststrate, Nora-ann; Lotz, Simon; Bezuidenhout, Daniela Ina
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.698 ± 0.0005 Å
• b: 13.1478 ± 0.0006 Å
• c: 17.4834 ± 0.0009 Å
• α: 90°
• β: 106.099 ± 0.002°
• γ: 90°
• Cell volume: 2141.84 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No