Information card for entry 7044241

Structure parameters

• Chemical name: (Ethoxy-(thieno[3,2-b]thiophen-2-yl)-carbene)-nonacarbonyl-dirhenium
• Formula: C18 H8 O10 Re2 S2
• Calculated formula: C18 H8 O10 Re2 S2
• SMILES: [Re]([Re](C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1sc2c(scc2)c1)(C#[O])(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: 9.6861 ± 0.0004 Å
• b: 12.7974 ± 0.0005 Å
• c: 17.8103 ± 0.0008 Å
• α: 90°
• β: 104.336 ± 0.002°
• γ: 90°
• Cell volume: 2138.96 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No