Information card for entry 4301063

Structure parameters

• Formula: C12 H27 I4 N3 O Te2
• Calculated formula: C12 H27 I4 N3 O Te2
• Title of publication: Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations
• Authors of publication: Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2973 - 2982
• a: 9.113 ± 0.002 Å
• b: 18.516 ± 0.004 Å
• c: 15.918 ± 0.003 Å
• α: 90°
• β: 105.33 ± 0.03°
• γ: 90°
• Cell volume: 2590.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No