Information card for entry 4083019

Structure parameters

• Formula: C19 H22 N4
• Calculated formula: C19 H22 N4
• SMILES: N1(C(=N\c2ccccc2)\C)/C(=N\c2ccccc2)NCCCC1
• Title of publication: Syntheses and Structures of Bis-Amidinate‒Alane Complexes
• Authors of publication: Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2080
• a: 6.713 ± 0.0017 Å
• b: 26.14 ± 0.007 Å
• c: 9.811 ± 0.003 Å
• α: 90°
• β: 100.626 ± 0.01°
• γ: 90°
• Cell volume: 1692.1 ± 0.8 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 3
• 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: 0.1126
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No