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Information card for entry 7117312
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Coordinates | 7117312.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | YbZn4-iqin |
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Formula | C100 H100 F9 N19 O24 S3 Yb Zn4 |
Calculated formula | C100 H100 F9 N19 O24 S3 Yb Zn4 |
SMILES | [Yb]123([O]4[Zn]56([O]=C7N4[Zn]4([O]3N3[Zn]8([O]2N2[Zn]9([O]1N5C(=[O]9)c1[n]6c5c(cc1)cccc5)([n]1c(C2=[O]8)ccc2ccccc12)[n]1ccc2ccccc2c1)([n]1c(C3=[O]4)ccc2ccccc12)[n]1ccc2ccccc2c1)([n]1c7ccc2ccccc12)[n]1ccc2ccccc2c1)[n]1ccc2ccccc2c1)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O=CN(C)C.O=CN(C)C.O=CN(C)C |
Title of publication | 'Half-sandwich' Yb^III^ single-ion magnets with metallacrowns |
Authors of publication | Quan-Wen Li; Jun-Liang Liu; Jian-Hua Jia; Yan-Cong Chen; Jiang Liu; Long-Fei Wang; Ming-Liang Tong |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 10291 |
a | 16.1341 ± 0.0004 Å |
b | 42.5371 ± 0.001 Å |
c | 18.4653 ± 0.0004 Å |
α | 90° |
β | 93.131 ± 0.001° |
γ | 90° |
Cell volume | 12653.8 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
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 | 0.1016 |
Residual factor for significantly intense reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.18 |
Weighted residual factors for all reflections included in the refinement | 0.2038 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
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/7117312.html
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