Information card for entry 4084223

Structure parameters

• Formula: C10 H18 F N7 S Te
• Calculated formula: C10 H18 F N7 S Te
• SMILES: F[Te]1N=C(C(=N1)C#N)C#N.[S+](N(C)C)(N(C)C)N(C)C
• Title of publication: Coordination of Halide and Chalcogenolate Anions to Heavier 1,2,5-Chalcogenadiazoles: Experiment and Theory
• Authors of publication: Semenov, Nikolay A.; Lonchakov, Anton V.; Pushkarevsky, Nikolay A.; Suturina, Elizaveta A.; Korolev, Valery V.; Lork, Enno; Vasiliev, Vladimir G.; Konchenko, Sergey N.; Beckmann, Jens; Gritsan, Nina P.; Zibarev, Andrey V.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 16
• Pages of publication: 4302
• a: 7.798 ± 0.001 Å
• b: 9.802 ± 0.001 Å
• c: 10.904 ± 0.001 Å
• α: 78.56 ± 0.01°
• β: 82.13 ± 0.01°
• γ: 84.81 ± 0.01°
• Cell volume: 807.48 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No