Information card for entry 7028789

Structure parameters

• Formula: C34 H70 N2 O10 Zr2
• Calculated formula: C34 H70 N2 O10 Zr2
• SMILES: C(C)(C)O[Zr]12(OC(C)C)([N](=C(C=C(O2)C)C)CCOC)[O](C(C)C)[Zr]2([N](=C(C=C(O2)C)C)CCOC)(OC(C)C)([O]1C(C)C)OC(C)C
• 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: 9.9999 ± 0.0008 Å
• b: 10.4571 ± 0.0008 Å
• c: 12.1982 ± 0.0012 Å
• α: 110.312 ± 0.008°
• β: 96.841 ± 0.007°
• γ: 113.111 ± 0.007°
• Cell volume: 1050.9 ± 0.2 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 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: 0.1107
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No