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Information card for entry 4001261
Preview
| Coordinates | 4001261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Copper(II) fluoride pyrazine hydrate |
|---|---|
| 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 | 7.6926 ± 0.0006 Å |
| b | 7.5568 ± 0.0006 Å |
| c | 6.897 ± 0.0005 Å |
| α | 90° |
| β | 111.065 ± 0.003° |
| γ | 90° |
| Cell volume | 374.14 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0169 |
| Residual factor for significantly intense reflections | 0.0159 |
| Weighted residual factors for significantly intense reflections | 0.0511 |
| Weighted residual factors for all reflections included in the refinement | 0.0519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001261.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001261.cif |
| 41948 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001261 via cif-deposit CGI script. |
4001261.cif |
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Users of the data should acknowledge the original authors of the
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