Information card for entry 7027685

Structure parameters

• Formula: C7 H18 Cl10 N4 Se
• Calculated formula: C7 Cl10 N4 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: 13.974 ± 0.003 Å
• b: 7.633 ± 0.002 Å
• c: 10.23 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1091.2 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1314
• 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: Yes
• Has Fobs: No