Information card for entry 1569062

Structure parameters

• Formula: C134 H210 Ce2 K2 N4 O34 Si6
• Calculated formula: C134 H210 Ce2 K2 N4 O34 Si6
• SMILES: C12C(=[O][Ce]34(O2)O[Si](c2c(c5cc(cc(c5)c5ccccc5[Si](O4)(OC(C)(C)C)OC(C)(C)C)c4ccccc4[Si](O3)(OC(C)(C)C)OC(C)(C)C)cccc2)(OC(C)(C)C)OC(C)(C)C)O[Ce]23([O]=1)O[Si](c1c(c4cc(cc(c4)c4ccccc4[Si](O3)(OC(C)(C)C)OC(C)(C)C)c3ccccc3[Si](O2)(OC(C)(C)C)OC(C)(C)C)cccc1)(OC(C)(C)C)OC(C)(C)C.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9
• Title of publication: Isolation and redox reactivity of cerium complexes in four redox states.
• Authors of publication: Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 6011 - 6021
• a: 13.54182 ± 0.00009 Å
• b: 33.4467 ± 0.0002 Å
• c: 20.39623 ± 0.00015 Å
• α: 90°
• β: 91.1616 ± 0.0006°
• γ: 90°
• Cell volume: 9236.15 ± 0.11 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No