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Information card for entry 1520015
Preview
Coordinates | 1520015.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H122 Er2 N2 Ni2 O22 |
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Calculated formula | C62 H122 Er2 N2 Ni2 O22 |
SMILES | [Er]123456(OC(=O)C(C)(C)C)[O]=C([O]5[Ni]578([O]9[Er]%10%11%12([O]([Ni]9([O]=C(O2)C(C)(C)C)([O]4C(=[O]3)C(C)(C)C)([O]=C(O%11)C(C)(C)C)[O]68)C(=[O]%10)C(C)(C)C)(OC(=O)C(C)(C)C)([O]=C(O5)C(C)(C)C)[O]=C([O]7%12)C(C)(C)C)[O]=C(O1)C(C)(C)C)C(C)(C)C.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC |
Title of publication | Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> ) |
Authors of publication | Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L. |
Journal of publication | Inorganic Chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 12 |
Pages of publication | 5930 - 5941 |
a | 20.7791 ± 0.0003 Å |
b | 21.3052 ± 0.0002 Å |
c | 18.3054 ± 0.0002 Å |
α | 90° |
β | 101.596 ± 0.0012° |
γ | 90° |
Cell volume | 7938.45 ± 0.17 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0331 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0504 |
Weighted residual factors for all reflections included in the refinement | 0.0537 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/1520015.html
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