Information card for entry 7033649

Structure parameters

• Formula: C86 H84 Cl2 O22 Se2 Te4
• Calculated formula: C86 H84 Cl2 O22 Se2 Te4
• SMILES: c1(ccc(cc1)OC)[Te]1(c2ccc(OC)cc2)O[Te](c2ccc(OC)cc2)(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.[O-]Cl(=O)(=O)=O.c1ccccc1.c1ccccc1.[O-]Cl(=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: 12.2163 ± 0.0011 Å
• b: 14.8089 ± 0.0013 Å
• c: 15.9691 ± 0.0014 Å
• α: 71.395 ± 0.001°
• β: 70.113 ± 0.001°
• γ: 82.358 ± 0.001°
• Cell volume: 2573.7 ± 0.4 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: 0.0293
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No