Information card for entry 7041691

Structure parameters

• Formula: C65 H82 Br2 Cl6 Mn2 N4 O6 S4
• Calculated formula: C65 H82 Br2 Cl6 Mn2 N4 O6 S4
• 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: 11.5907 ± 0.0013 Å
• b: 17.763 ± 0.002 Å
• c: 17.955 ± 0.002 Å
• α: 90°
• β: 91.522 ± 0.01°
• γ: 90°
• Cell volume: 3695.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No