Information card for entry 4067529

Structure parameters

• Formula: C43 H49 Cl2 O2 P Sn W2
• Calculated formula: C43 H49 Cl2 O2 P Sn W2
• SMILES: [W]123456([W]789%10([Sn]1(c1ccccc1)(c1ccccc1)c1ccccc1)([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]%10[cH]9[cH]8[cH]71)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61.C(Cl)Cl
• Title of publication: Synthesis and Reactivity of the Triply Bonded Binuclear Anion [W2(η5-C5H5)2(μ-PCy2)(μ-CO)2]−: Tungsten Makes a Difference
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 512
• a: 10.1693 ± 0.0001 Å
• b: 11.5192 ± 0.0001 Å
• c: 19.332 ± 0.0002 Å
• α: 77.199 ± 0.001°
• β: 85.446 ± 0.001°
• γ: 68.037 ± 0.001°
• Cell volume: 2048.03 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0279
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No