Information card for entry 7001193

Structure parameters

• Formula: C18 H16 N6 O6 Re2 S2
• Calculated formula: C18 H16 N6 O6 Re2 S2
• SMILES: [Re]12([S]([Re](Sc3[n]2ccn3C)([n]2cn(cc2)C)(C#[O])(C#[O])C#[O])c2[n]1ccn2C)(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: 9.1679 ± 0.0001 Å
• b: 11.5587 ± 0.0002 Å
• c: 12.2641 ± 0.0002 Å
• α: 74.976 ± 0.001°
• β: 87.691 ± 0.001°
• γ: 76.22 ± 0.001°
• Cell volume: 1218.74 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No