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Information card for entry 4106527
Preview
Coordinates | 4106527.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H37 Cl2 Dy2 N7 O9 |
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Calculated formula | C33 H37 Cl2 Dy2 N7 O9 |
SMILES | Cl[Dy]1234(Cl)[O]5[Dy]67([n]8c(cccc8)C5=N[N]1=Cc1c(O4)c(OC)ccc1)([N](N=C([O]37)c1[n]2cccc1)=Cc1c(O6)c(OC)ccc1)([OH]C)([OH]C)[OH]C.N#CC |
Title of publication | Strong Axiality and Ising Exchange Interaction Suppress Zero-Field Tunneling of Magnetization of an Asymmetric Dy2 Single-Molecule Magnet |
Authors of publication | Yun-Nan Guo; Gong-Feng Xu; Wolfgang Wernsdorfer; Liviu Ungur; Yang Guo; Jinkui Tang; Hong-Jie Zhang; Liviu F. Chibotaru; Annie K. Powell |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 11948 - 11951 |
a | 9.697 ± 0.0005 Å |
b | 29.0923 ± 0.0013 Å |
c | 13.9203 ± 0.0007 Å |
α | 90° |
β | 103.605 ± 0.001° |
γ | 90° |
Cell volume | 3816.8 ± 0.3 Å3 |
Cell temperature | 186 ± 2 K |
Ambient diffraction temperature | 186 ± 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 | 0.0618 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0624 |
Weighted residual factors for all reflections included in the refinement | 0.0705 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/4106527.html
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Users of the data should acknowledge the original authors of the
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