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Information card for entry 4001260
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Coordinates | 4001260.cif |
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Original paper (by DOI) | HTML |
Common name | Copper(II) fluoride pyrazine hydrate |
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Formula | C4 H8 Cu F2 N2 O2 |
Calculated formula | C4 H8 Cu F2 N2 O2 |
Title of publication | Experimental and Theoretical Characterization of the Magnetic Properties of CuF2(H2O)2(pyz) (pyz = pyrazine): A Two-Dimensional Quantum Magnet Arising from Supersuperexchange Interactions through Hydrogen Bonded Paths |
Authors of publication | Manson, Jamie L.; Conner, Marianne M.; Schlueter, John A.; McConnell, Amber C.; Southerland, Heather I.; Malfant, Isabelle; Lancaster, Tom; Blundell, Stephen J.; Brooks, Michael L.; Pratt, Francis L.; Singleton, John; McDonald, Ross D.; Lee, Changhoon; Whangbo, Myung-Hwan |
Journal of publication | Chemistry of Materials |
Year of publication | 2008 |
Journal volume | 20 |
Journal issue | 24 |
Pages of publication | 7408 |
a | 7.6617 ± 0.0012 Å |
b | 7.5402 ± 0.0013 Å |
c | 6.8674 ± 0.0011 Å |
α | 90° |
β | 111.966 ± 0.006° |
γ | 90° |
Cell volume | 367.93 ± 0.11 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0239 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for significantly intense reflections | 0.0831 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.219 |
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/4001260.html
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