Information card for entry 7001189

Structure parameters

• Formula: C17 H5 N2 O13 Os3 Re S
• Calculated formula: C17 H5 N2 O13 Os3 Re S
• SMILES: [Os]123([Os]4([Os]1(C#[O])(C#[O])(C#[O])C#[O])([Re]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: 8.5336 ± 0.0002 Å
• b: 9.866 ± 0.0002 Å
• c: 15.091 ± 0.0003 Å
• α: 107.084 ± 0.001°
• β: 91.436 ± 0.001°
• γ: 92.688 ± 0.001°
• Cell volume: 1212.15 ± 0.05 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: 0.0277
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No