Information card for entry 7027639

Structure parameters

• Formula: C18 H8 O8 Re2 S
• Calculated formula: C18 H7 O8 Re2 S
• SMILES: [Re]([S](c1cc2ccccc2cc1)[Re](C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: The reaction of [Re2(CO)8(MeCN)2] with thiols. Formation of hydrido sulfido bridged dirhenium cluster complexes [Re2(μ-H)(μ-SR)(CO)8] (R = H, n-Bu, Cy, Ph, C6H4F-p, C6F5 or 2-naphthyl)
• Authors of publication: Egold, Hans; Schwarze, Detlef; Flörke, Ulrich
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 3203
• a: 7.047 ± 0.003 Å
• b: 16.792 ± 0.004 Å
• c: 16.853 ± 0.004 Å
• α: 90°
• β: 91.23 ± 0.02°
• γ: 90°
• Cell volume: 1993.8 ± 1.1 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.1274
• Weighted residual factors for significantly intense reflections: 0.1129
• Goodness-of-fit parameter for all reflections: 0.998
• Goodness-of-fit parameter for significantly intense reflections: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No