Information card for entry 4307541

Structure parameters

• Formula: C104 H141 Cl7 Cu N4 O18 P
• Calculated formula: C103 H127 Cl7 Cu N4 O18 P
• Title of publication: First Insights into the Electronic Properties of a Cu(II) Center Embedded in the PN3 Cap of a Calix[6]arene-Based Ligand
• Authors of publication: G. Izzet; X. Zeng; D. Over; B. Douziech; J. Zeitouny; M. Giorgi; I. Jabin; Y. Le Mest; O. Reinaud
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 375 - 377
• a: 16.363 ± 0.0002 Å
• b: 16.432 ± 0.0002 Å
• c: 23.339 ± 0.0003 Å
• α: 71.361 ± 0.0007°
• β: 74.09 ± 0.0008°
• γ: 69.965 ± 0.0007°
• Cell volume: 5489.98 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No