Information card for entry 4304728

Structure parameters

• Formula: C44 H60 F2 N2 Zr
• Calculated formula: C44 H60 F2 N2 Zr
• SMILES: [Zr]12([F]c3c(N1c1c(C(C)C)cccc1C(C)C)cccc3)([F]c1c(N2c2c(C(C)C)cccc2C(C)C)cccc1)(CC(C)C)CC(C)C
• Title of publication: Fluorinated Diarylamido Complexes of Lithium, Zirconium, and Hafnium
• Authors of publication: Wei-Ying Lee; Lan-Chang Liang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3298 - 3306
• a: 18.4614 ± 0.0004 Å
• b: 12.6894 ± 0.0003 Å
• c: 19.2483 ± 0.0005 Å
• α: 90°
• β: 113.491 ± 0.001°
• γ: 90°
• Cell volume: 4135.48 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No