Information card for entry 7101212

Structure parameters

• Formula: C6 H11 Cl4 Ga N2 Se
• Calculated formula: C6 H11 Cl4 Ga N2 Se
• SMILES: [Ga](Cl)(Cl)(Cl)[Cl-].[se]1ncc[n+]1C(C)(C)C
• Title of publication: The Direct Reaction of the tBu-DAB Ligand with SeCl4: A Redox Route to Selenium-Nitrogen Heterocycles
• Authors of publication: Paul Ragogna; Jason L. Dutton; Michael C. Jennings; Jocelyn J. Tindale
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 23
• a: 12.7117 ± 0.0005 Å
• b: 9.9671 ± 0.0004 Å
• c: 11.0754 ± 0.0004 Å
• α: 90°
• β: 99.724 ± 0.002°
• γ: 90°
• Cell volume: 1383.08 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No