Information card for entry 7055242

Structure parameters

• Formula: C23 H24 N2
• Calculated formula: C23 H24 N2
• SMILES: c1(ccccc1/C=N/c1c(cccc1C)C)Nc1c(cccc1C)C
• Title of publication: Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE
• Authors of publication: Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2071
• a: 16.515 ± 0.002 Å
• b: 45.244 ± 0.007 Å
• c: 7.7842 ± 0.0011 Å
• α: 90°
• β: 92.294 ± 0.003°
• γ: 90°
• Cell volume: 5811.7 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.135
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No