Information card for entry 7001191

Structure parameters

• Formula: C17 H5 Mn N2 O13 Os3 S
• Calculated formula: C17 H5 Mn N2 O13 Os3 S
• SMILES: [Os]123([Os]4([Os]1(C#[O])(C#[O])(C#[O])C#[O])([Mn]2([n]1c([S]34)n(cc1)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Tetranuclear group 7/8 mixed-metal and open trinuclear group 7 metal carbonyl clusters bearing bridging 2-mercapto-1-methylimidazole ligands
• Authors of publication: Ghosh, Shishir; Kabir, Shariff E.; Pervin, Salina; Raha, Arun K.; Golzar Hossain, G. M.; Haworth, Daniel T.; Lindeman, Sergey V.; Bennett, Dennis W.; Siddiquee, Tasneem A.; Salassa, Luca; Roesky, Herbert W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3510 - 3518
• a: 8.6591 ± 0.0002 Å
• b: 9.8458 ± 0.0001 Å
• c: 15.1081 ± 0.0002 Å
• α: 106.86 ± 0.0008°
• β: 91.7599 ± 0.0008°
• γ: 93.1069 ± 0.0007°
• Cell volume: 1229.42 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No