Information card for entry 7010222

Structure parameters

• Formula: C16 H2 O16 Re4 S
• Calculated formula: C16 H2 O16 Re4 S
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([H][Re](S21[Re](C#[O])([H][Re]2(C#[O])(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: 17.424 ± 0.002 Å
• b: 9.424 ± 0.001 Å
• c: 16.739 ± 0.003 Å
• α: 90°
• β: 112.03 ± 0.02°
• γ: 90°
• Cell volume: 2547.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No