Information card for entry 7016812

Structure parameters

• Chemical name: Thiophene-2,5-bis((ethoxymethylidene)-(nonacarbonyl)-dirhenium)
• Formula: C28 H12 O20 Re4 S
• Calculated formula: C28 H12 O20 Re4 S
• SMILES: [Re]([Re](C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1sc(C(=[Re]([Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])OCC)cc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Rhenium ethoxy- and hydroxycarbene complexes with thiophene substituents.
• Authors of publication: Lotz, Simon; Landman, Marilé; Olivier, Andrew J.; Bezuidenhout, Daniela I.; Liles, David C.; Palmer, Eric R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9394 - 9403
• a: 12.3975 ± 0.0016 Å
• b: 12.4762 ± 0.0016 Å
• c: 13.803 ± 0.0018 Å
• α: 112.639 ± 0.001°
• β: 105.394 ± 0.001°
• γ: 98.378 ± 0.001°
• Cell volume: 1824.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No