Information card for entry 7053349

Structure parameters

• Formula: C18 H4 Mn N O13 Ru3 S
• Calculated formula: C18 H4 Mn N O13 Ru3 S
• SMILES: [Ru]1([Ru]23([Ru]41([Mn]2([n]1c([S]34)cccc1)(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]
• 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: 8.5181 ± 0.0003 Å
• b: 10.1387 ± 0.0004 Å
• c: 15.1751 ± 0.0006 Å
• α: 70.434 ± 0.002°
• β: 83.813 ± 0.003°
• γ: 88.009 ± 0.005°
• Cell volume: 1227.69 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No