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Information card for entry 7018876
Preview
Coordinates | 7018876.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | CuAsp |
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Formula | C4 H9 Cu N O6 |
Calculated formula | C4 H9 Cu N O6 |
Title of publication | Tuning the coordination chemistry of a Cu(ii) complex at high-pressure. |
Authors of publication | Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 18 |
Pages of publication | 5464 - 5467 |
a | 9.0447 ± 0.0005 Å |
b | 9.6337 ± 0.0007 Å |
c | 7.3016 ± 0.0014 Å |
α | 90° |
β | 91.765 ± 0.01° |
γ | 90° |
Cell volume | 635.92 ± 0.14 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Ambient diffracton pressure | 4920000 kPa |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0348 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for all reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.0539 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.8689 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.4762 Å |
Diffraction radiation type | synchrotron |
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/7018876.html
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Users of the data should acknowledge the original authors of the
structural data.