Information card for entry 4103256

Structure parameters

• Formula: C42 H75 Ce Cl N6 O3 Si6
• Calculated formula: C42 H75 Ce Cl N6 O3 Si6
• SMILES: C1(c2ccc(cc2)OC)=[N]([Si](C)(C)C)[Ce]23(N1[Si](C)(C)C)([N](=C(c1ccc(cc1)OC)N2[Si](C)(C)C)[Si](C)(C)C)[N](=C(c1ccc(cc1)OC)N3[Si](C)(C)C)[Si](C)(C)C.[Cl-]
• Title of publication: Facile Access to Tetravalent Cerium Compounds: One-Electron Oxidation Using Iodine(III) Reagents
• Authors of publication: Peter Dröse; Alan R. Crozier; Samira Lashkari; Jochen Gottfriedsen; Steffen Blaurock; Cristian G. Hrib; Cäcilia Maichle-Mössmer; Christoph Schädle; Reiner Anwander; Frank T. Edelmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14046 - 14047
• a: 11.153 ± 0.002 Å
• b: 12.925 ± 0.003 Å
• c: 19.583 ± 0.004 Å
• α: 98.76 ± 0.03°
• β: 90.93 ± 0.03°
• γ: 104.79 ± 0.03°
• Cell volume: 2693.1 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No