Information card for entry 4349049

Structure parameters

• Formula: C112 H138 Ba2 Co4 N18 O24 S12
• Calculated formula: C112 H138 Ba2 Co4 N18 O24 S12
• 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: 15.199 ± 0.003 Å
• b: 15.322 ± 0.003 Å
• c: 16.472 ± 0.004 Å
• α: 116.33 ± 0.003°
• β: 93.43 ± 0.003°
• γ: 102.116 ± 0.003°
• Cell volume: 3309.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No