Information card for entry 7010224

Structure parameters

• Formula: C23 H3 Cl3 Fe2 O22 Re4 S2
• Calculated formula: C23 H3 Cl3 Fe2 O22 Re4 S2
• SMILES: [Re]1([H][Re](S21[Fe]1([Fe]2(S21[Re]([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])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O].C(Cl)(Cl)Cl
• 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: 14.214 ± 0.005 Å
• b: 18.351 ± 0.004 Å
• c: 15.578 ± 0.003 Å
• α: 90°
• β: 107.49 ± 0.02°
• γ: 90°
• Cell volume: 3875.5 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No