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Information card for entry 4104361
Preview
| Coordinates | 4104361.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Copper(II) bifluoride pyrazine hexafluoroantimonate |
|---|---|
| Formula | C8 H9 Cu F8 N4 Sb |
| Calculated formula | C8 H9 Cu F8 N4 Sb |
| Title of publication | Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~ |
| Authors of publication | Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 6733 - 6747 |
| a | 9.7044 ± 0.0002 Å |
| b | 9.7044 ± 0.0002 Å |
| c | 6.8538 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 645.46 ± 0.03 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| Residual factor for all reflections | 0.0152 |
| Residual factor for significantly intense reflections | 0.0144 |
| Weighted residual factors for significantly intense reflections | 0.0359 |
| Weighted residual factors for all reflections included in the refinement | 0.0364 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178789 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/43. |
4104361.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104361.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104361.cif |
| 28887 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4104361 via cif-deposit CGI script. |
4104361.cif |
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