Information card for entry 4066156

Structure parameters

• Formula: C12 H16 Cl2 O3 Sn2 W
• Calculated formula: C12 H16 Cl2 O3 Sn2 W
• SMILES: [W]1234([Sn](Cl)(C)C)(C#[O])(C#[O])(C#[O])[c]5([cH]1[cH]2[cH]3[cH]45)[Sn](Cl)(C)C
• Title of publication: Half-Sandwich Tungsten Complexes with Metal- and η5-Cyclopentadienyl-Bound Functional Stannyl Groups and Their Transformation intoAnsaComplexes†
• Authors of publication: Bera, Holger; Braunschweig, Holger; Dörfler, Rainer; Kupfer, Thomas; Radacki, Krzysztof; Seeler, Fabian
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5111
• a: 13.9594 ± 0.0004 Å
• b: 17.3667 ± 0.0004 Å
• c: 16.3223 ± 0.0004 Å
• α: 90°
• β: 113.237 ± 0.001°
• γ: 90°
• Cell volume: 3636.01 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.019
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No