Information card for entry 7126096

Structure parameters

• Formula: C58 H71 Ce F12 K N6 O8
• Calculated formula: C58 H71 Ce F12 K N6 O8
• SMILES: [Ce]1234567[O](C(=Nc8cc(cc(c8)C(F)(F)F)C(F)(F)F)N4c4cc(cc(c4)C(F)(F)F)C(F)(F)F)[K]48([O]1[N]5(c1c(CN(Cc5ccccc5[N]6(O2)C(C)(C)C)Cc2ccccc2[N]7(O3)C(C)(C)C)cccc1)C(C)(C)C)([O](CC[O]4C)C)[O](CC[O]8C)C
• Title of publication: Reactivity of Ce(iv) imido compounds with heteroallenes.
• Authors of publication: Lapsheva, Ekaterina N.; Cheisson, Thibault; Álvarez Lamsfus, Carlos; Carroll, Patrick J.; Gau, Michael R.; Maron, Laurent; Schelter, Eric J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 35
• Pages of publication: 4781 - 4784
• a: 25.0707 ± 0.001 Å
• b: 15.4308 ± 0.0006 Å
• c: 16.9537 ± 0.0006 Å
• α: 90°
• β: 105.921 ± 0.001°
• γ: 90°
• Cell volume: 6307.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No