Information card for entry 4306550

Structure parameters

• Formula: C6 H4 Cl4 Ga N S Se
• Calculated formula: C6 H4 Cl4 Ga N S Se
• SMILES: [Ga](Cl)([Cl-])(Cl)Cl.[Se+]1=Nc2c(S1)cccc2
• 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: 7.4587 ± 0.0003 Å
• b: 10.2322 ± 0.0004 Å
• c: 17.0845 ± 0.0007 Å
• α: 90°
• β: 94.445 ± 0.001°
• γ: 90°
• Cell volume: 1299.95 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No