Information card for entry 7041689

Structure parameters

• Formula: C22 H24 Mn2 N2 O6 S2
• Calculated formula: C22 H24 Mn2 N2 O6 S2
• SMILES: [Mn]12(C#[O])(C#[O])(C#[O])[Mn]34(C#[O])(C#[O])(C#[O])[S]1[C]4([S]23)=C1N(C=CN1C1CCCCC1)C1CCCCC1
• Title of publication: Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.
• Authors of publication: Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1779 - 1788
• a: 11.1085 ± 0.0004 Å
• b: 11.6937 ± 0.0004 Å
• c: 12.1298 ± 0.0004 Å
• α: 69.906 ± 0.002°
• β: 63.919 ± 0.002°
• γ: 62.296 ± 0.002°
• Cell volume: 1233.64 ± 0.08 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: 0.0231
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No