Information card for entry 4107312

Structure parameters

• Formula: C24 H48 As2 K2 O12 Te2
• Calculated formula: C24 H48 As2 K2 O12 Te2
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[Te]1[As][Te][As]1.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: [Te2As2]2-: A Planar Motif with "Conflicting" Aromaticity
• Authors of publication: Angel Ugrinov; Ayusman Sen; Arthur C. Reber; Meichun Qian; Shiv N. Khanna
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 782 - 783
• a: 10.307 ± 0.004 Å
• b: 9.951 ± 0.004 Å
• c: 18.585 ± 0.007 Å
• α: 90°
• β: 98.394 ± 0.006°
• γ: 90°
• Cell volume: 1885.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No