Information card for entry 4310227

Structure parameters

• Common name: Compound 2 - oslla -
• Chemical name: di Hydroxo-Cu(II) Calix[6]arene-tri(O-methyl-imidazole), di- perchlorate, solvate: five CH2Cl2, one ether
• Formula: C174.58 H230.95 Cl8.05 Cu2 N12 O22.89
• Calculated formula: C174.584 H230.948 Cl8.048 Cu2 N12 O22.89
• Title of publication: X-ray Diffraction and EXAFS Studies of Hydroxo-Cu(II) Complexes Based on a Calix[6]arene-N3 Ligand: Evidence for a Mononuclear-Dinuclear Equilibrium Controlled by Supramolecular Features
• Authors of publication: Guillaume Izzet; Yves M. Frapart; Thierry Prangé; Karine Provost; Alain Michalowicz; Olivia Reinaud
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9743 - 9751
• a: 15.279 ± 0.004 Å
• b: 16.13 ± 0.004 Å
• c: 22.828 ± 0.004 Å
• α: 69.67 ± 0.08°
• β: 80.58 ± 0.08°
• γ: 64.63 ± 0.08°
• Cell volume: 4766 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.952 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No