Information card for entry 7053347

Structure parameters

• Formula: C52 H34 N O11 Os3 P2 Re S
• Calculated formula: C52 H34 N O11 Os3 P2 Re S
• SMILES: [Os]1([Os]234([Os]51([Re]2([n]1c([S]35)cccc1)(C4=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(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: 13.786 ± 0.0003 Å
• b: 21.2076 ± 0.0004 Å
• c: 16.8447 ± 0.0004 Å
• α: 90°
• β: 92.363 ± 0.001°
• γ: 90°
• Cell volume: 4920.66 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No