Information card for entry 7033764

Structure parameters

• Formula: C16 H28 Cl2 N4 Zr
• Calculated formula: C16 H28 Cl2 N4 Zr
• SMILES: [Zr]1(Cl)(Cl)(N2CCCc3c2c2N1CCCc2cc3)([NH](C)C)[NH](C)C
• Title of publication: Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.
• Authors of publication: Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3845 - 3855
• a: 8.4242 ± 0.0003 Å
• b: 27.2768 ± 0.0009 Å
• c: 9.1772 ± 0.0003 Å
• α: 90°
• β: 110.536 ± 0.002°
• γ: 90°
• Cell volume: 1974.78 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No