Information card for entry 4325901

Structure parameters

• Formula: C45 H67.5 Cu5 N11.5 Nd O24
• Calculated formula: C45 H50 Cu5 N10.5 Nd O14.75
• Title of publication: Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure
• Authors of publication: Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7707 - 7717
• a: 27.1588 ± 0.0016 Å
• b: 14.8506 ± 0.0009 Å
• c: 33.574 ± 0.002 Å
• α: 90°
• β: 92.551 ± 0.001°
• γ: 90°
• Cell volume: 13527.8 ± 1.4 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No