Information card for entry 4073851

Structure parameters

• Formula: C53 H50 O5 Sb2 W
• Calculated formula: C53 H50 O5 Sb2 W
• SMILES: c1(c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Sb]1=[Sb](c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)[W]1(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Syntheses and Structures of Distibene Complexes of Tungsten and Titanium: [W(CO)5{(2,6-Mes2C6H3)2Sb2}] (Mes = 2,4,6-Me3C6H2) and [Cp2Ti{(2,6-Mes2C6H3)2Sb2)}]
• Authors of publication: Breunig, Hans J.; Borrmann, Tobias; Lork, Enno; Raţ, Ciprian I.; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 22
• Pages of publication: 5364
• a: 11.575 ± 0.002 Å
• b: 13.026 ± 0.002 Å
• c: 17.558 ± 0.002 Å
• α: 78 ± 0.01°
• β: 82.34 ± 0.01°
• γ: 64.95 ± 0.01°
• Cell volume: 2342.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No