Information card for entry 4341695

Structure parameters

• Formula: C30 H54 O12 Zr
• Calculated formula: C30 H54 O12 Zr
• SMILES: [Zr]12([O]=C(O1)C(C)(C)C)(OC(=O)C(C)(C)C)(OC(=O)C(C)(C)C)([O]=C(O2)C(C)(C)C)(OC(=O)C(C)(C)C)OC(=O)C(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: 11.357 ± 0.0008 Å
• b: 19.37 ± 0.0013 Å
• c: 35.211 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7745.9 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No