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Information card for entry 4104368
Preview
Coordinates | 4104368.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(pyz)2Cu][SbF6] |
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Formula | C8 H8 Cu F6 N4 Sb |
Calculated formula | C8 H8 Cu F6 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 | 7.9725 ± 0.0008 Å |
b | 8.4866 ± 0.0009 Å |
c | 10.8938 ± 0.0011 Å |
α | 89.841 ± 0.003° |
β | 84.921 ± 0.002° |
γ | 63.859 ± 0.002° |
Cell volume | 658.54 ± 0.12 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0266 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for significantly intense reflections | 0.058 |
Weighted residual factors for all reflections included in the refinement | 0.0588 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
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/4104368.html
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