Information card for entry 4334359

Structure parameters

• Formula: C44 H97 Ce2 K O11
• Calculated formula: C44 H97 Ce2 K O11
• SMILES: [Ce]123([O]4(C(C)(C)C)[Ce]5([O]1(C(C)(C)C)[K]4([O]2C(C)(C)C)([O]5C(C)(C)C)([O]1CCCC1)[O]1CCCC1)([O]3C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• 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: 17.0121 ± 0.0004 Å
• b: 18.0594 ± 0.0004 Å
• c: 19.6945 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6050.7 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No