Information card for entry 4068658

Structure parameters

• Formula: C54 H78 N2 O18 P4 Re2 S3 Sn2
• Calculated formula: C54 H78 N2 O18 P4 Re2 S3 Sn2
• SMILES: C(#[O])[Re](C#[O])([P](c1ccccc1)(OCC)OCC)([P](c1ccccc1)(OCC)OCC)([Sn]12OS(=O)O[Sn](S2)(OS(O1)=O)[Re](C#[O])(C#[O])([P](c1ccccc1)(OCC)OCC)([P](c1ccccc1)(OCC)OCC)C#[N]C(C)(C)C)C#[N]C(C)(C)C
• Title of publication: Reaction of Trihydridostannyl Complexes with SO2: Preparation of [Re2{Sn2(μ-S)(μ-SO3)2}(CO)4L2{PPh(OEt)2}4] (L = PPh(OEt)2, (CH3)3CNC)
• Authors of publication: Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Zanardo, Gianluigi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1270
• a: 15.347 ± 0.007 Å
• b: 16.615 ± 0.007 Å
• c: 31.222 ± 0.014 Å
• α: 90°
• β: 93.489 ± 0.009°
• γ: 90°
• Cell volume: 7947 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0753
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No