Information card for entry 4314522

Structure parameters

• Formula: C30 H24 Er F15 O3 Se3
• Calculated formula: C30 H24 Er F15 O3 Se3
• SMILES: [Er]([Se]c1c(F)c(F)c(F)c(F)c1F)([Se]c1c(F)c(F)c(F)c(F)c1F)([Se]c1c(F)c(F)c(F)c(F)c1F)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Covalent Bonding and the Trans Influence in Lanthanide Compounds
• Authors of publication: Karsten Krogh-Jespersen; Michael D. Romanelli; Jonathan H. Melman; Thomas J. Emge; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 552 - 560
• a: 19.4806 ± 0.0019 Å
• b: 15.6254 ± 0.0015 Å
• c: 23.555 ± 0.002 Å
• α: 90°
• β: 105.766 ± 0.002°
• γ: 90°
• Cell volume: 6900.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1035
• 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: No
• Has Fobs: No