Information card for entry 4311935

Structure parameters

• Formula: C16 H20 Cl2 Cu N4 O10
• Calculated formula: C16 H20 Cl2 Cu N4 O10
• SMILES: c1cccc2CNC(C)=[O][Cu]3([n]12)[n]1ccccc1CNC(C)=[O]3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• 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: 7.7771 ± 0.0012 Å
• b: 8.1565 ± 0.0013 Å
• c: 8.9099 ± 0.0014 Å
• α: 74.492 ± 0.002°
• β: 73.952 ± 0.002°
• γ: 76.299 ± 0.002°
• Cell volume: 515.22 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No