Information card for entry 4068657

Structure parameters

• Formula: C64 H90 O22 P6 Re2 S3 Sn2
• Calculated formula: C64 H90 O22 P6 Re2 S3 Sn2
• SMILES: [Re](C#[O])(C#[O])([Sn]12S[Sn]([Re](C#[O])(C#[O])([P](OCC)(OCC)c3ccccc3)([P](OCC)(OCC)c3ccccc3)[P](OCC)(OCC)c3ccccc3)(OS(O1)=O)OS(O2)=O)([P](OCC)(OCC)c1ccccc1)([P](OCC)(OCC)c1ccccc1)[P](OCC)(OCC)c1ccccc1
• 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: 12.0145 ± 0.0014 Å
• b: 29.314 ± 0.003 Å
• c: 25.998 ± 0.003 Å
• α: 90°
• β: 115.14 ± 0.005°
• γ: 90°
• Cell volume: 8289 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No