Information card for entry 7033650

Structure parameters

• Formula: C86 H84 B2 F8 O14 Se2 Te4
• Calculated formula: C86 H84 B2 F8 O14 Se2 Te4
• SMILES: c1(ccc(cc1)OC)[Te]1(c2ccc(OC)cc2)O[Te](O[Se+](O[Te](c2ccc(cc2)OC)(c2ccc(OC)cc2)O[Te](O[Se+](O1)c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.[B](F)(F)(F)[F-].c1ccccc1.c1ccccc1.[B](F)(F)(F)[F-].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: 12.1225 ± 0.0009 Å
• b: 14.7726 ± 0.0011 Å
• c: 15.9277 ± 0.0012 Å
• α: 71.234 ± 0.001°
• β: 70.079 ± 0.001°
• γ: 82.416 ± 0.001°
• Cell volume: 2538.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No