Information card for entry 1541911

Structure parameters

• Formula: C30 H60 Ce O2 Si4
• Calculated formula: C30 H60 Ce O2 Si4
• SMILES: [Ce]12345678(OC(C)(C)C)(OC(C)(C)C)([cH]9[c]2([Si](C)(C)C)[cH]1[cH]8[c]79[Si](C)(C)C)[cH]1[c]6([Si](C)(C)C)[cH]5[cH]4[c]31[Si](C)(C)C
• Title of publication: Synthesis and Characterization of Cerium(IV) Metallocenes
• Authors of publication: Sutton, Andrew; Clark, David; Scott, Brian; Gordon, John
• Journal of publication: Inorganics
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 589
• a: 11.199 ± 0.006 Å
• b: 34.737 ± 0.018 Å
• c: 10.931 ± 0.006 Å
• α: 90°
• β: 116.801 ± 0.007°
• γ: 90°
• Cell volume: 3796 ± 4 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• 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: 0.1595
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No