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Information card for entry 4326884
Preview
Coordinates | 4326884.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H58 Dy2 N8 Ni2 O20 |
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Calculated formula | C62 H58 Dy2 N8 Ni2 O20 |
SMILES | c12c(cccc1C=[N]1c3ccccc3[O]34[Dy]5671(O2)([O]1c2c([O]5C)cccc2C=[N]2c5ccccc5[O]5[Ni]312([O]=CN(C)C)[O]12c3c([N]8=Cc9c(c(ccc9)OC)O[Dy]9%10518([O]1c5c([O]%10C)cccc5C=[N]5c8ccccc8[O]7[Ni]4215[O]=CN(C)C)ON(=[O]9)=O)cccc3)ON(=[O]6)=O)OC |
Title of publication | Defect-Dicubane Ni2Ln2 (Ln = Dy, Tb) Single Molecule Magnets |
Authors of publication | Kartik Chandra Mondal; George E. Kostakis; Yanhua Lan; Wolfgang Wernsdorfer; Christopher E. Anson; Annie K. Powell |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11604 - 11611 |
a | 13.207 ± 0.0011 Å |
b | 12.9862 ± 0.0008 Å |
c | 18.1372 ± 0.0016 Å |
α | 90° |
β | 90.21 ± 0.007° |
γ | 90° |
Cell volume | 3110.7 ± 0.4 Å3 |
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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0686 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.1224 |
Weighted residual factors for all reflections included in the refinement | 0.1281 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4326884.html
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