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Information card for entry 4344928
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4344928.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2 |
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Formula | C16 H30 Ba Co N4 O9 S4 |
Calculated formula | C16 H30 Ba Co N4 O9 S4 |
SMILES | [Ba]12345(SC#[N][Co](N=C=S)(N=C=S)N=C=S)([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([OH2])([OH2])[OH2] |
Title of publication | Slow Magnetic Relaxation in Weak Easy-Plane Anisotropy: the Case of a Combined Magnetic and HFEPR Study. |
Authors of publication | Zhu, Yuan-Yuan; Liu, Fang; Liu, Jia-Jia; Meng, Yin-Shan; Jiang, Shang-Da; Barra, Anne-Laure; Wernsdorfer, Wolfgang; Gao, Song |
Journal of publication | Inorganic chemistry |
Year of publication | 2017 |
Journal volume | 56 |
Journal issue | 2 |
Pages of publication | 697 - 700 |
a | 12.119 ± 0.002 Å |
b | 16.444 ± 0.003 Å |
c | 14.509 ± 0.003 Å |
α | 90° |
β | 93.28 ± 0.03° |
γ | 90° |
Cell volume | 2886.7 ± 0.9 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 7 |
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 | 0.0479 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.0983 |
Weighted residual factors for all reflections included in the refinement | 0.0996 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
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/4344928.html
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Users of the data should acknowledge the original authors of the
structural data.