Information card for entry 7028788

Structure parameters

• Formula: C32 H56 N4 O8 Zr
• Calculated formula: C32 H56 N4 O8 Zr
• SMILES: CC1=CC(C)=[N](CCOC)[Zr]234([N](=C(C=C(O2)C)C)CCOC)(O1)([N](=C(C=C(C)O3)C)CCOC)[N](=C(C=C(C)O4)C)CCOC
• 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: 19.2359 ± 0.0018 Å
• b: 18.1915 ± 0.0015 Å
• c: 10.2582 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3589.7 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No