Information card for entry 4306549

Structure parameters

• Formula: C6 H4 Cl4 Ga N S2
• Calculated formula: C6 H4 Cl4 Ga N S2
• SMILES: [Ga]([Cl-])(Cl)(Cl)Cl.[s+]1sc2ccccc2n1
• 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: 8.6904 ± 0.0004 Å
• b: 9.6874 ± 0.0005 Å
• c: 14.6214 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1230.94 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No