Information card for entry 4109377

Structure parameters

• Formula: C200 H184 Hg4 N20.8 Nd12 O6 Se30
• Calculated formula: C200 H184 Hg4 N20.8 Nd12 O6 Se30
• Title of publication: Oxoclusters of the Lanthanides Begin to Resemble Solid-State Materials at Very Small Cluster Sizes: Structure and NIR Emission from Nd(III)
• Authors of publication: Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5926 - 5931
• a: 16.8241 ± 0.0012 Å
• b: 17.8745 ± 0.0012 Å
• c: 20.1482 ± 0.0014 Å
• α: 95.65 ± 0.001°
• β: 93.092 ± 0.001°
• γ: 97.816 ± 0.001°
• Cell volume: 5959.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1137
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No