Information card for entry 4105516

Structure parameters

• Formula: C231 H215 Ce17 N27 Na Se34
• Calculated formula: C231 H215 Ce17 N27 Na Se34
• Title of publication: Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex
• Authors of publication: Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 373 - 378
• a: 22.5455 ± 0.0011 Å
• b: 42.056 ± 0.002 Å
• c: 31.0886 ± 0.0016 Å
• α: 90°
• β: 108.099 ± 0.001°
• γ: 90°
• Cell volume: 28019 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No