Information card for entry 7055243

Structure parameters

• Formula: C44 H50 N4
• Calculated formula: C44 H50 N4
• SMILES: c1(ccccc1Nc1ccccc1/C=N/c1c(cccc1C(C)C)C(C)C)Nc1ccccc1/C=N/c1c(cccc1C(C)C)C(C)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: 10.2174 ± 0.001 Å
• b: 10.6434 ± 0.001 Å
• c: 19.4065 ± 0.0018 Å
• α: 77.176 ± 0.002°
• β: 80.422 ± 0.002°
• γ: 66.226 ± 0.002°
• Cell volume: 1876.1 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No