Information card for entry 7010225

Structure parameters

• Formula: C19 H2 O19 Os3 Re2 S
• Calculated formula: C19 O19 Os3 Re2 S
• SMILES: [Os]1([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])([S]1[Re]([Re]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: The syntheses of novel sulfur centred spirocyclic cluster complexes starting from [Re2(μ-H)(μ-SH)(CO)8]
• Authors of publication: Egold, Hans; Schwarze, Detlef; Schraa, Markus; Flörke, Ulrich
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4385
• a: 8.805 ± 0.002 Å
• b: 28.614 ± 0.006 Å
• c: 11.87 ± 0.002 Å
• α: 90°
• β: 104.12 ± 0.01°
• γ: 90°
• Cell volume: 2900.2 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1066
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No