Information card for entry 4311937

Structure parameters

• Formula: C72 H82 Cu8 F12 N18 O24 S4
• Calculated formula: C72 H82 Cu8 F12 N18 O24 S4
• SMILES: [Cu]123OC(=[N]4[Cu]56(OC(=[N]7[Cu]8(OC(=[N]9[Cu]%10%11(OC(=[N]%12[Cu]%13(OC(=[N]%14[Cu](OC(=[N]%15[Cu]%16(OC(=[N]%17[Cu](OC(=[N]3Cc3[n]2cccc3)C)([OH]%10%16)([OH]8%11)[n]2ccccc2C%17)C)[n]2ccccc2C%15)C)([OH]15)([OH]6%13)[n]1ccccc1C%14)C)[n]1ccccc1C%12)C)[n]1ccccc1C9)C)[n]1ccccc1C7)C)[n]1ccccc1C4)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.CC#N.CC#N
• Title of publication: Supramolecular Copper Hydroxide Tennis Balls: Self-Assembly, Structures, and Magnetic Properties of Octanuclear [Cu8L8(OH)4]4+ Clusters (HL =N-(2-Pyridylmethyl)acetamide)
• Authors of publication: Arunendu Mondal; Yang Li; Masood A. Khan; Joseph H. Ross,; Robert P. Houser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7075 - 7082
• a: 15.1881 ± 0.0009 Å
• b: 15.1881 ± 0.0009 Å
• c: 38.671 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8920.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No