Information card for entry 4334901

Structure parameters

• Formula: C65 H65 Er6 N39.06 O2 Se5.32
• Calculated formula: C65 H65 Er6 N39.0544 O2 Se5.3144
• Title of publication: Lanthanide Clusters with Azide Capping Ligands
• Authors of publication: Brian F. Moore; Thomas J. Emge; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6021 - 6027
• a: 13.2354 ± 0.0008 Å
• b: 13.5062 ± 0.0008 Å
• c: 15.3672 ± 0.0009 Å
• α: 113.675 ± 0.001°
• β: 93.405 ± 0.001°
• γ: 115.494 ± 0.001°
• Cell volume: 2179.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No