Information card for entry 4321198

Structure parameters

• Formula: C92 H128 Cl2 Cu N8 O17
• Calculated formula: C92.3 H111.5 Cl2 Cu N8 O17
• Title of publication: Novel Biomimetic Calix[6]arene-Based Copper(II) Complexes
• Authors of publication: Loïc Le Clainche; Michel Giorgi; Olivia Reinaud
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3436 - 3437
• a: 22.4668 ± 0.0004 Å
• b: 16.384 ± 0.0004 Å
• c: 26.6089 ± 0.0005 Å
• α: 90°
• β: 94.02 ± 0.001°
• γ: 90°
• Cell volume: 9770.5 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for significantly intense reflections: 3.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: xray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No