Information card for entry 7033648

Structure parameters

• Formula: C80 H78 N2 O20 Se2 Te4
• Calculated formula: C80 H78 N2 O20 Se2 Te4
• SMILES: c1(ccc(cc1)OC)[Te]1(c2ccc(OC)cc2)O[Te](c2ccc(cc2)OC)(c2ccc(OC)cc2)O[Se+](O[Te](c2ccc(cc2)OC)(c2ccc(OC)cc2)O[Te](O[Se+](O1)c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccccc1.N(=O)(=O)[O-].c1ccccc1.N(=O)(=O)[O-].c1ccccc1
• Title of publication: Te4Se2O6 macrocycle stabilizing triangular planar and tetrahedral anions.
• Authors of publication: Srungavruksham, Nagarjuna Kumar; Baskar, Viswanathan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4554 - 4559
• a: 11.9793 ± 0.0008 Å
• b: 13.0047 ± 0.0009 Å
• c: 14.3277 ± 0.001 Å
• α: 107.536 ± 0.001°
• β: 109.969 ± 0.001°
• γ: 92.513 ± 0.001°
• Cell volume: 1973.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0208
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No