Information card for entry 4308301

Structure parameters

• Formula: C54 H43 Cu6 I5 N8 O24 Pr4
• Calculated formula: C54 H41 Cu6 I5 N8 O24 Pr4
• Title of publication: 3D Coordination Framework [Ln4(μ3-OH)2Cu6I5(IN)8(OAc)3] (IN = Isonicotinate): Employing 2D Layers of Lanthanide Wheel Clusters and 1D Chains of Copper Halide Clusters
• Authors of publication: Xiaojun Gu; Dongfeng Xue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5349 - 5353
• a: 18.0965 ± 0.0011 Å
• b: 18.3267 ± 0.0012 Å
• c: 21.7131 ± 0.0012 Å
• α: 90°
• β: 96.159 ± 0.004°
• γ: 90°
• Cell volume: 7159.6 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No