Information card for entry 7058563

Structure parameters

• Chemical name: dimethyl- ferrocenyl-telluronium iodide
• Formula: C12.02 H14.77 Fe I Te
• Calculated formula: C12 H15 Fe I 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: 31.555 ± 0.004 Å
• b: 9.3443 ± 0.0012 Å
• c: 9.5274 ± 0.0012 Å
• α: 90°
• β: 101.159 ± 0.004°
• γ: 90°
• Cell volume: 2756.1 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No