Information card for entry 7025537

Structure parameters

• Formula: C47 H79 Ce N5 O2 Si2
• Calculated formula: C47 H79 Ce N5 O2 Si2
• 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: 19.9366 ± 0.0006 Å
• b: 12.7554 ± 0.0004 Å
• c: 20.3716 ± 0.0006 Å
• α: 90°
• β: 92.147 ± 0.002°
• γ: 90°
• Cell volume: 5176.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No