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Information card for entry 2227250
Preview
Coordinates | 2227250.cif |
---|---|
Structure factors | 2227250.hkl |
Original IUCr paper | HTML |
Chemical name | Bis({tris[2-(3,5-di-<i>tert</i>-butyl-2- oxidobenzylideneamino)ethyl]amine}cerium(III)) diethyl ether solvate |
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Formula | C58 H80 Ce N4 O3.5 |
Calculated formula | C53 H80 Ce N4 O3.5 |
SMILES | C1C[N]2=Cc3c(O[Ce]4562[N](CCN1CC[N]4=Cc1c(O6)c(cc(c1)C(C)(C)C)C(C)(C)C)=Cc1c(O5)c(cc(c1)C(C)(C)C)C(C)(C)C)c(cc(c3)C(C)(C)C)C(C)(C)C.O(CC)CC |
Title of publication | Bis({tris[2-(3,5-di-<i>tert</i>-butyl-2-oxidobenzylideneamino)ethyl]amine}cerium(III)) diethyl ether solvate |
Authors of publication | Dröse, Peter; Hrib, Cristian G.; Edelmann, Frank T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 11 |
Pages of publication | m1386 |
a | 27.84 ± 0.006 Å |
b | 16.345 ± 0.003 Å |
c | 24.849 ± 0.005 Å |
α | 90° |
β | 111.39 ± 0.03° |
γ | 90° |
Cell volume | 10529 ± 4 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0699 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.0789 |
Weighted residual factors for all reflections included in the refinement | 0.0868 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2227250.html
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