Information card for entry 7026344

Structure parameters

• Formula: C72 H144 Ce4 N8 O4
• Calculated formula: C72 H144 Ce4 N8 O4
• SMILES: [Ce]1(O[Ce](O[Ce](O[Ce](O1)(N1C(CCCC1(C)C)(C)C)N1C(CCCC1(C)C)(C)C)(N1C(CCCC1(C)C)(C)C)N1C(CCCC1(C)C)(C)C)(N1C(CCCC1(C)C)(C)C)N1C(CCCC1(C)C)(C)C)(N1C(CCCC1(C)C)(C)C)N1C(CCCC1(C)C)(C)C
• 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: 11.9386 ± 0.0006 Å
• b: 16.2491 ± 0.0008 Å
• c: 21.5659 ± 0.0011 Å
• α: 88.222 ± 0.003°
• β: 82.782 ± 0.002°
• γ: 77.134 ± 0.003°
• Cell volume: 4046.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1331
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No