Information card for entry 4334362

Structure parameters

• Formula: C33 H68 Al Ce N O7
• Calculated formula: C33 H68 Al Ce N O7
• SMILES: CC(C)(C)O[Ce]1([O](C(C)(C)C)[Al]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)(OC(C)(C)C)[n]1ccccc1
• Title of publication: Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))
• Authors of publication: Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4002 - 4010
• a: 12.63 ± 0.0004 Å
• b: 24.4223 ± 0.0005 Å
• c: 14.5476 ± 0.0005 Å
• α: 90°
• β: 114.786 ± 0.002°
• γ: 90°
• Cell volume: 4073.9 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No