Information card for entry 4303182

Structure parameters

• Formula: C8 H12 Br O2 Re S3
• Calculated formula: C8 H12 Br O2 Re S3
• SMILES: [Re]12(Br)(C#[O])(C#[O])[S]3CC[S]1CC[S]2CC3
• Title of publication: Synthesis and Reactivity of the 17 e-Complex [ReIIBr4(CO)2]2-: A Convenient Entry into Rhenium(II) Chemistry
• Authors of publication: Fabio Zobi; Lukas Kromer; Bernhard Spingler; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8965 - 8970
• a: 7.6189 ± 0.0001 Å
• b: 12.5358 ± 0.0002 Å
• c: 13.4804 ± 0.0002 Å
• α: 90°
• β: 104.723 ± 0.0016°
• γ: 90°
• Cell volume: 1245.22 ± 0.03 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No