Information card for entry 7022785

Structure parameters

• Chemical name: ac334
• Formula: C30 H78 Ce2 N2 O6 Si4
• Calculated formula: C30 H78 Ce2 N2 O6 Si4
• SMILES: C[Si](N([Ce]1(OC(C)C)([O](C(C)C)[Ce](N([Si](C)(C)C)[Si](C)(C)C)(OC(C)C)([O]1C(C)C)OC(C)C)OC(C)C)[Si](C)(C)C)(C)C
• Title of publication: Synthesis and grafting of CAN-derived tetravalent cerium alkoxide silylamide precursors onto mesoporous silica MCM-41.
• Authors of publication: Crozier, Alan R.; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5491 - 5499
• a: 15.2304 ± 0.0016 Å
• b: 18.3123 ± 0.0018 Å
• c: 16.96 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4730.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0958
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No