Information card for entry 7001192

Structure parameters

• Formula: C18 H11 N4 O10 Re3 S2
• Calculated formula: C18 H11 N4 O10 Re3 S2
• SMILES: C(#[O])[Re]1(C#[O])([S]2c3[n](ccn3C)[Re]3(C#[O])(C#[O])(C#[O])[S]1c1[n]([Re]2([H]3)(C#[O])(C#[O])C#[O])ccn1C)(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: 15.3127 ± 0.0003 Å
• b: 9.918 ± 0.0002 Å
• c: 18.0203 ± 0.0003 Å
• α: 90°
• β: 110.084 ± 0.001°
• γ: 90°
• Cell volume: 2570.35 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No