Information card for entry 4317441

Structure parameters

• Common name: Er-Tyr-I
• Formula: C72 H96 Cl10 Er12 I2 N8 O100
• Calculated formula: C72 H96 Cl10 Er12 I2 N8 O100
• Title of publication: Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes
• Authors of publication: Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 278 - 286
• a: 16.355 ± 0.002 Å
• b: 16.355 ± 0.002 Å
• c: 31.026 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8299 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.2378
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No