Information card for entry 4066157

Structure parameters

• Formula: C11 H13 Cl3 O3 Sn2 W
• Calculated formula: C11 H13 Cl3 O3 Sn2 W
• SMILES: [W]1234(C#[O])(C#[O])(C#[O])([Sn](Cl)(Cl)C)[c]5([cH]4[cH]3[cH]2[cH]15)[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: 27.875 ± 0.001 Å
• b: 10.6733 ± 0.0004 Å
• c: 12.9899 ± 0.0005 Å
• α: 90°
• β: 105.295 ± 0.001°
• γ: 90°
• Cell volume: 3727.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No