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Information card for entry 7212547
Preview
Coordinates | 7212547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H36 Cu2 N12 O16 |
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Calculated formula | C16 H36 Cu2 N12 O16 |
SMILES | C12(CC(=O)O[Cu]345[O]2[Cu]25(OC(=O)C1)OC(=O)CC(CC(=O)O3)(C(=O)[O-])[O]42)C(=O)[O-].C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O |
Title of publication | Pressure-induced switching in a copper(ii) citrate dimer |
Authors of publication | Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 9 |
Pages of publication | 2516 |
a | 11.52 ± 0.0004 Å |
b | 14.4315 ± 0.0007 Å |
c | 18.012 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2994.5 ± 0.5 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
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 | 0.0576 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for all reflections | 0.1091 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9194 |
Diffraction radiation wavelength | 0.4754 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7212547.html
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Users of the data should acknowledge the original authors of the
structural data.