Information card for entry 4122663

Structure parameters

• Formula: C30 H45 As2 S6 Yb3
• Calculated formula: C30 H45 As2 S6 Yb3
• SMILES: [Yb]1234567([S]8[Yb]9%10%11%12%13%14([S]%15[Yb]%16%17%18%19%20([S]1[As]8%15)([S]%10[As]([S]29)[S]3%16)[c]1([c]%17([c]%18([c]%19([c]%201C)C)C)C)C)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• Title of publication: Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.
• Authors of publication: Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 40
• Pages of publication: 14023
• a: 8.5385 ± 0.0003 Å
• b: 11.9152 ± 0.0005 Å
• c: 19.7595 ± 0.001 Å
• α: 93.682 ± 0.004°
• β: 90.745 ± 0.004°
• γ: 108.932 ± 0.003°
• Cell volume: 1896.4 ± 0.15 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No