Information card for entry 4066159

Structure parameters

• Formula: C11 H13 Cl O3 S Sn2 W
• Calculated formula: C11 H13 Cl O3 S Sn2 W
• SMILES: [W]12345(C#[O])(C#[O])(C#[O])[Sn](S[Sn](C)(C)[c]61[cH]2[cH]3[cH]4[cH]56)(C)Cl
• 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: 8.5946 ± 0.0003 Å
• b: 8.6557 ± 0.0003 Å
• c: 12.2209 ± 0.0004 Å
• α: 95.284 ± 0.002°
• β: 103.395 ± 0.002°
• γ: 106.793 ± 0.002°
• Cell volume: 834.26 ± 0.05 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No