Information card for entry 7055246

Structure parameters

• Formula: C47.5 H53 Cl2 Hf N4
• Calculated formula: C47.5 H53 Cl2 Hf N4
• 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: 10.9945 ± 0.0007 Å
• b: 11.1586 ± 0.0007 Å
• c: 19.4967 ± 0.0013 Å
• α: 98.036 ± 0.001°
• β: 104.963 ± 0.001°
• γ: 105.193 ± 0.001°
• Cell volume: 2174.1 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No