Information card for entry 7028785

Structure parameters

• Formula: C24 H48 N4 O4 Zr
• Calculated formula: C24 H48 N4 O4 Zr
• SMILES: [Zr]12([N](CCOC)=C(C=C(C)O1)C)([N](CCOC)=C(C=C(C)O2)C)(N(CC)CC)N(CC)CC
• Title of publication: Novel β-ketoiminato complexes of zirconium: synthesis, characterization and evaluation for solution based processing of ZrO2 thin films.
• Authors of publication: Banerjee, Manish; Seidel, Rüdiger W; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; Devi, Anjana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2384 - 2396
• a: 9.0054 ± 0.0004 Å
• b: 11.3687 ± 0.0004 Å
• c: 27.7723 ± 0.0012 Å
• α: 90°
• β: 91.035 ± 0.004°
• γ: 90°
• Cell volume: 2842.9 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No