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Information card for entry 4345887
Preview
Coordinates | 4345887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H41 Br3 Dy N7 O17 Zn2 |
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Calculated formula | C36 H41 Br3 Dy N7 O17 Zn2 |
SMILES | [Dy]12345([O]6[Zn]789([N](=Cc%10c6c([O]1C)cc(Br)c%10)CC[N]17CC[N]67[Zn]%10([N](CC7)=Cc7c(O%10)c(OC)cc(Br)c7)([O]8c7c(C16)cc(cc7OC)Br)[O]=C([O]49)C)[O]=C(O5)C)([OH2])(ON(=[O]2)=O)[O]=N(=O)O3.N#CC |
Title of publication | Designing Ligands to Isolate ZnLn and Zn2Ln Complexes: Field-Induced Single-Ion Magnet Behavior of the ZnDy, Zn2Dy, and Zn2Er Analogues. |
Authors of publication | Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Herrera, Juan Manuel; Colacio, Enrique |
Journal of publication | Inorganic chemistry |
Year of publication | 2017 |
Journal volume | 56 |
Journal issue | 10 |
Pages of publication | 5646 - 5656 |
a | 20.2322 ± 0.0018 Å |
b | 11.7843 ± 0.0008 Å |
c | 20.9683 ± 0.0017 Å |
α | 90° |
β | 111.413 ± 0.005° |
γ | 90° |
Cell volume | 4654.2 ± 0.7 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 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 | 0.0476 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0611 |
Weighted residual factors for all reflections included in the refinement | 0.0667 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4345887.html
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