Information card for entry 4030681

Structure parameters

• Formula: C40 H48 Cr4 N8 O22 S4
• Calculated formula: C40 H48 Cr4 N8 O22 S4
• SMILES: S1(=O)(=O)O[Cr]23([n]4ccccc4)([n]4ccccc4)[OH][Cr]4(O1)([n]1ccccc1)([n]1ccccc1)OS(=O)(=O)O[Cr]1([n]5ccccc5)([n]5ccccc5)(OS(=O)(=O)O[Cr]([n]5ccccc5)([n]5ccccc5)(OS(=O)(=O)O2)([OH]1)[OH]3)[OH]4.O.O
• Title of publication: The aqueous chromium sulfate-pyridine system: X-ray structural characterization of chain- and tetranuclear compounds
• Authors of publication: Cotton, F. A.; Daniels, L. M.; Murillo, C. A.; Zuniga, L. A.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1994
• Journal volume: 31
• Pages of publication: 535 - 544
• a: 13.702 ± 0.001 Å
• b: 13.702 ± 0.001 Å
• c: 14.192 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2664.5 ± 0.3 ų
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No