Information card for entry 7036872

Structure parameters

• Chemical name: Thienyl[2,3-b]thiophenene-2,5-di[(ethoxycarbene)pentacarbonyltungsten(0)
• Formula: C22 H12 O12 S2 W2
• Calculated formula: C22 H12 O12 S2 W2
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1sc2sc(C(=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])OCC)cc2c1
• Title of publication: Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.
• Authors of publication: Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19218 - 19231
• a: 13.1323 ± 0.0005 Å
• b: 14.6364 ± 0.0006 Å
• c: 13.8925 ± 0.0006 Å
• α: 90°
• β: 95.4568 ± 0.0011°
• γ: 90°
• Cell volume: 2658.17 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No