Information card for entry 7026347

Structure parameters

• Formula: C72 H208 Ce4 K2 N10 O4 Si20
• Calculated formula: C72 H208 Ce4 K2 N10 O4 Si20
• SMILES: [K]12[O]([Ce](O[Ce](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)([N]1([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[K]1[O]2[Ce](O[Ce](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)([N]1([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.CCCCCC.CCCCCC
• Title of publication: Crystalline amidocerium(IV) oxides and a side-on bridging dioxygen complex.
• Authors of publication: Coles, Martyn P.; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Li, Zhengning; Protchenko, Andrey V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6780 - 6788
• a: 15.0329 ± 0.0003 Å
• b: 15.0799 ± 0.0002 Å
• c: 16.511 ± 0.0002 Å
• α: 65.813 ± 0.001°
• β: 71.175 ± 0.001°
• γ: 81.622 ± 0.001°
• Cell volume: 3231.34 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No