Information card for entry 7012324

Structure parameters

• Formula: C9 H12 I2 O2 Te
• Calculated formula: C9 H12 I2 O2 Te
• SMILES: I[Te](I)(c1c(OC)cccc1OC)C
• Title of publication: Dependence of the rotational barrier of the Ar-group in RArTeX2 on the R-group [Ar = 2,6-(MeO)2C6H3; R = Me, Et, i-Pr; X = Cl, Br, I]
• Authors of publication: Asahara, Masahiro; Taomoto, Shoichiro; Tanaka, Masahito; Erabi, Tatsuo; Wada, Masanori
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 973
• a: 7.6021 ± 0.0004 Å
• b: 11.5143 ± 0.0003 Å
• c: 15.5013 ± 0.0005 Å
• α: 90°
• β: 92.204 ± 0.002°
• γ: 90°
• Cell volume: 1355.87 ± 0.09 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No