Information card for entry 4349055

Structure parameters

• Formula: C36 H78 Co2 Mg N8 O12 S6
• Calculated formula: C36 H78 Co2 Mg N8 O12 S6
• SMILES: [N]123[Co]45[N](CC1)=S(O[Mg]16(OS(=O)(C(C)(C)C)=[N]4CC2)(OS(=O)(C(C)(C)C)=[N]5CC3)OS(C(C)(C)C)(=[N]2CC[N]34CC[N](=S(C(C)(C)C)(O1)=O)[Co]24[N](CC3)=S(O6)(=O)C(C)(C)C)=O)(=O)C(C)(C)C
• Title of publication: Heterotrimetallic sandwich complexes supported by sulfonamido ligands
• Authors of publication: Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 142
• a: 12.684 ± 0.002 Å
• b: 12.684 ± 0.002 Å
• c: 27.867 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3882.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No