Information card for entry 7051827

Structure parameters

• Formula: C32 H48 O18 Ti2 W2
• Calculated formula: C32 H48 O18 Ti2 W2
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])C(C)=[O][Ti]1(OC(C)C)([O](C(C)C)[Ti]([O]=C([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C)([O]1C(C)C)(OC(C)C)OC(C)C)OC(C)C
• Title of publication: Titanoxycarbene complexes of Ti(iv) with O- and N-donor ligands
• Authors of publication: Nogai, Stefan D.; Schuster, Oliver; Bruce, Jocelyn; Raubenheimer, Helgard G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 540
• a: 9.687 ± 0.0005 Å
• b: 10.6893 ± 0.0006 Å
• c: 11.7611 ± 0.0006 Å
• α: 108.787 ± 0.001°
• β: 107.558 ± 0.001°
• γ: 91.644 ± 0.001°
• Cell volume: 1088.5 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No