Information card for entry 7001188

Structure parameters

• Formula: C18 H10 Cl Mn3 N4 O10 S2
• Calculated formula: C18 H10 Cl Mn3 N4 O10 S2
• SMILES: C(#[O])[Mn]1([S]2c3n(C)cc[n]3[Mn]3(C#[O])(C#[O])(C#[O])[S]1c1[n](ccn1C)[Mn]2(C#[O])(C#[O])(C#[O])[Cl]3)(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: 9.4042 ± 0.0001 Å
• b: 9.4042 Å
• c: 24.1341 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1848.44 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No