Information card for entry 4317401

Structure parameters

• Formula: C28 H56 I2 O7 Se9 Tm4
• Calculated formula: C28 H56 I2 O7 Se9 Tm4
• SMILES: [Tm]1234([Se]56[Tm]78(I)([Se]1[Se]27)([Se]1[Tm]25([Se]81)([Se]1[Tm]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: 11.897 ± 0.008 Å
• b: 12.008 ± 0.003 Å
• c: 20.582 ± 0.005 Å
• α: 97.72 ± 0.03°
• β: 103.52 ± 0.05°
• γ: 114.78 ± 0.03°
• Cell volume: 2504 ± 2 ų
• Cell temperature: 153 ± 5 K
• Ambient diffraction temperature: 153 ± 5 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: 0.0496
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1146
• 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