Information card for entry 4331597

Structure parameters

• Formula: C111 H129 Cl7 Cu2.5 N7 O13
• Calculated formula: C111 H127 Cl7.1 Cu1.5 N7 O13
• Title of publication: Supramolecular Assemblies with Calix[6]arenes and Copper Ions: from Dinuclear to Trinuclear Linear Arrangements of Hydroxo−Cu(II) Complexes
• Authors of publication: Izzet, Guillaume; Akdas, Huriye; Hucher, Nicolas; Giorgi, Michel; Prangé, Thierry; Reinaud, Olivia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1069 - 1077
• a: 17.17 ± 0.002 Å
• b: 18.771 ± 0.002 Å
• c: 21.888 ± 0.003 Å
• α: 106.777 ± 0.005°
• β: 92.097 ± 0.005°
• γ: 108.334 ± 0.009°
• Cell volume: 6348 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1252
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.2855
• Weighted residual factors for all reflections included in the refinement: 0.3175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No