Information card for entry 4349052

Structure parameters

• Formula: C36 H78 Ba Co2 N8 O12 S6
• Calculated formula: C36 H78 Ba Co2 N8 O12 S6
• 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: 12.6571 ± 0.0008 Å
• b: 12.6571 ± 0.0008 Å
• c: 30.388 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4216 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.357
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No