Information card for entry 4322786

Structure parameters

• Formula: C78.5 H94 Nd3 O6.125 Se9
• Calculated formula: C78.52 H94.04 Nd3 O6.13 Se9
• Title of publication: Trivalent Lanthanide Chalcogenolates: Ln(SePh)3, Ln2(EPh)6, Ln4(SPh)12, and [Ln (EPh)3]n(E = S, Se). How Metal, Chalcogen, and Solvent Influence Structure
• Authors of publication: Jongseong Lee; Deborah Freedman; Jonathan H. Melman; Meggan Brewer; Lei Sun; T. J. Emge; F. H. Long; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2512 - 2519
• a: 34.232 ± 0.009 Å
• b: 25.526 ± 0.011 Å
• c: 27.358 ± 0.012 Å
• α: 90 ± 0.09°
• β: 128.93 ± 0.02°
• γ: 90 ± 0.08°
• Cell volume: 18596 ± 13 ų
• Cell temperature: 203 ± 7 K
• Ambient diffraction temperature: 203 ± 7 K
• Number of distinct elements: 5
• 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: 0.1665
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No