Information card for entry 7107112

Structure parameters

• Common name: (N4444)3[Ce(dcnm)6]
• Chemical name: Tri(tetrabutylammonium) hexakis(dicyanonitrosomethanido)cerium(III)
• Formula: C66 H108 Ce N21 O6
• Calculated formula: C66 H108 Ce N21 O6
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[Ce]123456([N](=C(C#N)C#N)O1)([N](=C(C#N)C#N)O2)([N](=C(C#N)C#N)O3)([N](=C(C#N)C#N)O4)([N](=C(C#N)C#N)O5)[N](=C(C#N)C#N)O6.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Melting point suppression in new lanthanoid(III) ionic liquids by trapping of kinetic polymorphs: an in situ synchrotron powder diffraction study
• Authors of publication: Anthony S. R. Chesman; Mei Yang; Bert Mallick; Tamsyn M. Ross; Ian A. Gass; Glen B. Deacon; Stuart R. Batten; Anja-Verena Mudring
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 124
• a: 17.4269 ± 0.0005 Å
• b: 17.4269 ± 0.0005 Å
• c: 22.3789 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5885.9 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0158
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No