Information card for entry 7053973

Structure parameters

• Common name: Compound 14[I3]
• Formula: C16 H30 I3 N3
• Calculated formula: C16 H30 I3 N3
• SMILES: n1(c([n+](cc1)C(C)(C)C)/C=N/C(C)(C)C)C(C)(C)C.I[I-]I
• Title of publication: 1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides
• Authors of publication: Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 1
• Pages of publication: 391
• a: 13.533 ± 0.002 Å
• b: 11.4237 ± 0.0013 Å
• c: 18.787 ± 0.002 Å
• α: 90°
• β: 125.466 ± 0.008°
• γ: 90°
• Cell volume: 2365.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.205
• Residual factor for significantly intense reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.2556
• Weighted residual factors for all reflections included in the refinement: 0.3658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No