Information card for entry 7027686

Structure parameters

• Formula: C3 H8 Cl6 N2 Se
• Calculated formula: C3 H8 Cl6 N2 Se
• Title of publication: The reaction of N-methylbenzothiazole-2-selone and 1,1-dimethylselenourea with sulfuryl chloride and dichlorine †
• Authors of publication: Boyle, Philip D.; Godfrey, Stephen M.; Pritchard, Robin G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4245
• a: 7.555 ± 0.002 Å
• b: 15.516 ± 0.002 Å
• c: 9.9151 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1162.3 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.2377
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No