Information card for entry 7058562

Structure parameters

• Chemical name: Diiodo-methyl-ferrocenyl-tellurium
• Formula: C11 H12 Fe I2 Te
• Calculated formula: C11 H12 Fe I2 Te
• Title of publication: Isomorphic substitution in molecular crystals and geometry of hypervalent tellurium: comments inspired by a case study of RMeTeI2 and [RMe2Te]+I− (R = Ph, Fc)
• Authors of publication: Torubaev, Yury V.; Dolgushin, Fedor M.; Skabitsky, Ivan V.; Popova, Alexandra E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12225
• a: 9.2752 ± 0.0011 Å
• b: 9.3588 ± 0.0011 Å
• c: 16.4985 ± 0.0019 Å
• α: 73.955 ± 0.002°
• β: 87.578 ± 0.002°
• γ: 87.001 ± 0.002°
• Cell volume: 1373.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No