Information card for entry 4331593

Structure parameters

• Common name: bi-nuclear complex [Cu(calix6,Me3,Imbn3)OH]2 (ClO4)2
• Formula: C211 H252 Cl2 Cu2 N12 O24
• Calculated formula: C209 H252 Cl2 Cu2 N12 O26
• SMILES: [Cu]123[OH][Cu]([OH]1)([n]1c(COc4c5cc(cc4Cc4c(OC)c(Cc6c(OCc7[n]2ccn7Cc2ccccc2)c(Cc2c(OC)c(Cc7c(OCc8nccn8Cc8ccccc8)c(Cc8c(OC)c(C5)cc(c8)C(C)(C)C)cc(c7)C(C)(C)C)cc(c2)C(C)(C)C)cc(c6)C(C)(C)C)cc(c4)C(C)(C)C)C(C)(C)C)n(cc1)Cc1ccccc1)[n]1c(COc2c4cc(cc2Cc2c(OC)c(cc(c2)C(C)(C)C)Cc2c(OCc5nccn5Cc5ccccc5)c(cc(c2)C(C)(C)C)Cc2c(OC)c(Cc5c(OCc6[n]3ccn6Cc3ccccc3)c(cc(c5)C(C)(C)C)Cc3c(OC)c(cc(c3)C(C)(C)C)C4)cc(c2)C(C)(C)C)C(C)(C)C)n(cc1)Cc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CCCCC.O.O.O.O
• 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: 17.341 ± 0.002 Å
• b: 23.216 ± 0.002 Å
• c: 30.088 ± 0.002 Å
• α: 68.94 ± 0.1°
• β: 86.57 ± 0.1°
• γ: 77.22 ± 0.1°
• Cell volume: 11021 ± 9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2263
• Weighted residual factors for all reflections included in the refinement: 0.2305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.972 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No