Information card for entry 7016813

Structure parameters

• Chemical name: Nonacarbonyl-(ethoxy-(2,2'-bis(thien-4-yl)-4'-aldehyde)-methylidene)-dirhenium
• Formula: C21 H10 O11 Re2 S2
• Calculated formula: C21 H10 O11 Re2 S2
• SMILES: [Re]([Re](C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1ccc(s1)c1ccc(s1)C=O)(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: 9.5208 ± 0.0008 Å
• b: 13.1481 ± 0.0011 Å
• c: 20.6062 ± 0.0017 Å
• α: 90°
• β: 101.041 ± 0.001°
• γ: 90°
• Cell volume: 2531.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0266
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No