Information card for entry 7053351

Structure parameters

• Formula: C23 H8 Fe2 N2 O13 Re2 S2
• Calculated formula: C23 H8 Fe2 N2 O13 Re2 S2
• SMILES: [Re]1([S]2[Re](S31[Fe]1([Fe]3(C#[O])(C#[O])(C#[O])c3[n]1cccc3)(C#[O])(C#[O])C#[O])([n]1c2cccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: The rational synthesis of tetranuclear heterometallic butterfly clusters: reactions of [M2(CO)6(μ-pyS)2] (M = Re, Mn) with group VIII metal carbonyls
• Authors of publication: Ghosh, Shishir; Khanam, Kamrun N.; Hossain, G. M. Golzar; Haworth, Daniel T.; Lindeman, Sergey V.; Hogarth, Graeme; Kabir, Shariff E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1875
• a: 10.4465 ± 0.0001 Å
• b: 15.4234 ± 0.0002 Å
• c: 18.4256 ± 0.0002 Å
• α: 86.755 ± 0.001°
• β: 84.108 ± 0.001°
• γ: 88.237 ± 0.001°
• Cell volume: 2947.39 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No