Information card for entry 4301064

Structure parameters

• Formula: C17 H37 F3 N4 O3 S Te2
• Calculated formula: C17 H37 F3 N4 O3 S Te2
• SMILES: [Te]1([N](C(C)(C)C)[Te]([N]1C(C)(C)C)NC(C)(C)C)=NC(C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 16.183 ± 0.003 Å
• b: 17.695 ± 0.004 Å
• c: 18.374 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5261.5 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No