Information card for entry 4066158

Structure parameters

• Formula: C20 H20 O6 Sn2 W2
• Calculated formula: C20 H20 O6 Sn2 W2
• SMILES: C(#[O])[W]12345(C#[O])(C#[O])[Sn](C)(C)[c]67[cH]8[cH]9[cH]%10[cH]6[W]789%10(C#[O])(C#[O])(C#[O])[Sn](C)(C)[c]61[cH]2[cH]3[cH]4[cH]56
• 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: 12.7023 ± 0.0004 Å
• b: 12.7894 ± 0.0004 Å
• c: 14.3692 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2334.35 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No