Information card for entry 4125797

Structure parameters

• Formula: C164 H244 Ce4 N16 O24 Rb4
• Calculated formula: C164 H244 Ce4 N16 O24 Rb4
• SMILES: [Ce]123456[O]78[Rb]9%10%11%12[O]%13%14[Ce]%15%16%17%18%19[O]%20[Rb]%21%227%13[O]7%13[Ce]%23%24%25%26%27[O]%28[Rb]%29%147([O]79[Ce]9%14%30%31%32[O]([Rb]8%137([O]3[N]6(c3c(CN(Cc6ccccc6[N]4([O]1%10)C(C)(C)C)Cc1ccccc1[N]5([O]2%21)C(C)(C)C)cccc3)C(C)(C)C)[O]%23[N]%26(c1c(CN(Cc2ccccc2[N]%25%28C(C)(C)C)Cc2ccccc2[N]%27([O]%22%24)C(C)(C)C)cccc1)C(C)(C)C)[N]%30(c1c(CN(Cc2ccccc2[N]%31([O]%299)C(C)(C)C)Cc2ccccc2[N]%32([O]%12%14)C(C)(C)C)cccc1)C(C)(C)C)[O]%16[N]%19(c1c(CN(Cc2ccccc2[N]%17%20C(C)(C)C)Cc2ccccc2[N]%18([O]%11%15)C(C)(C)C)cccc1)C(C)(C)C.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.
• Authors of publication: Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 6
• Pages of publication: 2435 - 2442
• a: 18.8613 ± 0.0006 Å
• b: 19.5186 ± 0.0007 Å
• c: 25.8496 ± 0.0008 Å
• α: 75.561 ± 0.002°
• β: 71.443 ± 0.002°
• γ: 70.556 ± 0.002°
• Cell volume: 8396.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No