Information card for entry 4306553

Structure parameters

• Formula: C12 H8 Cl10 N2 S2 Te4
• Calculated formula: C12 H8 Cl10 N2 S2 Te4
• SMILES: [Te]12=[N](c3c(S1)cccc3)[Te]1=[N]2c2c(S1)cccc2.[Te]1(Cl)(Cl)(Cl)(Cl)[Cl][Te](Cl)(Cl)(Cl)(Cl)[Cl]1
• Title of publication: Heavy Atom Analogues of 1,2,3-Dithiazolylium Salts: Preparation, Structures and Redox Chemistry
• Authors of publication: Maarit Risto; Abdeljalil Assoud; Stephen M. Winter; Raija Oilunkaniemi; Risto S. Laitinen; Richard T. Oakley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10100 - 10109
• a: 8.2184 ± 0.0005 Å
• b: 8.282 ± 0.0005 Å
• c: 11.024 ± 0.0007 Å
• α: 82.707 ± 0.0011°
• β: 72.9321 ± 0.0012°
• γ: 74.4782 ± 0.0012°
• Cell volume: 690.18 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No