Information card for entry 4341696

Structure parameters

• Formula: C48 H88 O16 Zr2
• Calculated formula: C48 H88 O16 Zr2
• SMILES: [O]1=C(O[Zr]23451([O]=C(O[Zr]16([O]=C(O3)CC(C)(C)C)([O]=C(O1)CC(C)(C)C)([O]=C(O6)CC(C)(C)C)([O]=C(O4)CC(C)(C)C)OC(=[O]5)CC(C)(C)C)CC(C)(C)C)[O]=C(O2)CC(C)(C)C)CC(C)(C)C
• Title of publication: Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.
• Authors of publication: Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141117102556003
• a: 11.8579 ± 0.0013 Å
• b: 14.5616 ± 0.0017 Å
• c: 22.069 ± 0.003 Å
• α: 72.483 ± 0.002°
• β: 78.79 ± 0.002°
• γ: 68.688 ± 0.001°
• Cell volume: 3369.9 ± 0.7 ų
• Cell temperature: 194 ± 2 K
• Ambient diffraction temperature: 194 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No