Information card for entry 1513032

Structure parameters

• Formula: C74 H122 Ce N4 O6
• Calculated formula: C74 H122 Ce N4 O6
• SMILES: [Ce]1234(Oc5c(cc(cc5C(C)(C)C)C(C)(C)C)C[N]3(Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)CCCN(C)C)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C[N]4(Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)CCCN(C)C.O(C)CCOC
• Title of publication: Synthesis and crystal structures of cerium(IV) complexes with 8-quinolinolate and amine bis(phenolate) ligands
• Authors of publication: Li Li; Fugen Yuan; Tingting Li; Yuan Zhou; Manman Zhang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 397
• Pages of publication: 69 - 74
• a: 18.4201 ± 0.0014 Å
• b: 21.33 ± 0.0016 Å
• c: 21.487 ± 0.0017 Å
• α: 100.489 ± 0.001°
• β: 96.276 ± 0.001°
• γ: 113.286 ± 0.001°
• Cell volume: 7469.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1005
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No