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Information card for entry 7218451
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Coordinates | 7218451.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Acetonitrilocopper(I) tricyanomethanide |
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Formula | C6 H3 Cu N4 |
Calculated formula | C6 H3 Cu N4 |
Title of publication | Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework |
Authors of publication | Hunt, Sarah J.; Cliffe, Matthew J.; Hill, Joshua A.; Cairns, Andrew B.; Funnell, Nicholas P.; Goodwin, Andrew L. |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 2 |
Pages of publication | 361 - 369 |
a | 12.9802 ± 0.0003 Å |
b | 8.1449 ± 0.00018 Å |
c | 14.5848 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1541.94 ± 0.06 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0229 |
Residual factor for significantly intense reflections | 0.0199 |
Weighted residual factors for all reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.0524 |
Weighted residual factors for all reflections included in the refinement | 0.0542 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9951 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7218451.html
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