Information card for entry 7025536

Structure parameters

• Formula: C38 H64 Ce N5 O2 Si2
• Calculated formula: C38 H64 Ce N5 O2 Si2
• SMILES: C12N(CCN1c1c(cc(cc1C)C)C)CC(C)(C)O[Ce]13=2(=C2N(CCN2c2c(cc(cc2C)C)C)CC(C)(C)O1)N([Si](C)(C)C)[Si]3(C)(C)C
• Title of publication: Lanthanide/actinide differentiation with sterically encumbered N-heterocyclic carbene ligands.
• Authors of publication: Arnold, Polly L.; Turner, Zoë R; Germeroth, Anne I.; Casely, Ian J.; Bellabarba, Ronan; Tooze, Robert P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6808 - 6814
• a: 11.1139 ± 0.0004 Å
• b: 18.053 ± 0.0006 Å
• c: 11.5188 ± 0.0004 Å
• α: 89.924 ± 0.002°
• β: 112.91 ± 0.002°
• γ: 89.187 ± 0.002°
• Cell volume: 2128.54 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0627
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No