Information card for entry 4317399

Structure parameters

• Formula: C28 H56 I2 O7 Se9 Yb4
• Calculated formula: C28 H56 I2 O7 Se9 Yb4
• SMILES: [Yb]1234([Se]56[Yb]78(I)([Se]1[Se]27)([Se]1[Yb]25([Se]81)([Se]1[Yb]56(I)([Se]21)([Se]3[Se]45)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Chalcogen Rich Lanthanide Clusters from Halide Starting Materials (II): Selenido Compounds
• Authors of publication: Anna Kornienko; J. H. Melman; G. Hall; T. J. Emge; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 121 - 126
• a: 19.973 ± 0.005 Å
• b: 13.052 ± 0.004 Å
• c: 38.85 ± 0.02 Å
• α: 90 ± 0.04°
• β: 90.59 ± 0.03°
• γ: 90 ± 0.02°
• Cell volume: 10127 ± 7 ų
• Cell temperature: 183 ± 5 K
• Ambient diffraction temperature: 183 ± 5 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: 0.1413
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No