Information card for entry 4314437

Structure parameters

• Formula: C12 H23 N3
• Calculated formula: C12 H23 N3
• SMILES: c1(ccc(CNC(C)(C)C)[nH]1)CN(C)C
• Title of publication: A New Type of Asymmetric Tridentate Pyrrolyl-Linked Pincer Ligand and Its Aluminum Dihydride Complexes
• Authors of publication: Yu-Ling Lien; Ya-Chi Chang; Nien-Tsu Chuang; Amitabha Datta; Shau-Jiun Chen; Ching-Han Hu; Wen-Yen Huang; Chia-Her Lin; Jui-Hsien Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 136 - 143
• a: 27.1751 ± 0.0008 Å
• b: 16.7898 ± 0.0007 Å
• c: 12.309 ± 0.0004 Å
• α: 90°
• β: 105.747 ± 0.002°
• γ: 90°
• Cell volume: 5405.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No