Information card for entry 7202225

Structure parameters

• Common name: KP23
• Formula: C15 H20 O Zr
• Calculated formula: C15 H20 O Zr
• SMILES: [Zr]123456789(OC)(C)[c]%10([cH]1[cH]2[cH]3[cH]4%10)C(C)(C)[c]15[cH]6[cH]7[cH]8[cH]91
• Title of publication: Deposition of ZrO2 and HfO2 thin films by liquid injection MOCVD and ALD using ansa-metallocene zirconium and hafnium precursors
• Authors of publication: Black, Kate; Aspinall, Helen C.; Jones, Anthony C.; Przybylak, Katarzyna; Bacsa, John; Chalker, Paul R.; Taylor, Stephen; Zhao, Ce Zhou; Elliott, Simon D.; Zydor, Aleksandra; Heys, Peter N.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 4561
• a: 7.6566 ± 0.0007 Å
• b: 14.2184 ± 0.0013 Å
• c: 12.4639 ± 0.0011 Å
• α: 90°
• β: 91.546 ± 0.002°
• γ: 90°
• Cell volume: 1356.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0208
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No