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Information card for entry 2311982
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Coordinates | 2311982.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>-bis[tris(pyridine-κ<i>N</i>)copper(II)] |
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Formula | C30 H30 Cu2 N6 O8 S2 |
Calculated formula | C30 H30 Cu2 N6 O8 S2 |
SMILES | c1cccc[n]1[Cu]1([n]2ccccc2)([n]2ccccc2)[O](S(=O)(=O)[O-])[Cu]([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)[O]1S(=O)(=O)[O-] |
Title of publication | First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action. |
Authors of publication | Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R. |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | Pt 3 |
Pages of publication | 263 - 268 |
a | 9.0147 ± 0.0004 Å |
b | 18.5456 ± 0.0007 Å |
c | 9.6355 ± 0.0004 Å |
α | 90° |
β | 108.191 ± 0.001° |
γ | 90° |
Cell volume | 1530.38 ± 0.11 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200.01 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0264 |
Residual factor for significantly intense reflections | 0.0218 |
Weighted residual factors for significantly intense reflections | 0.0524 |
Weighted residual factors for all reflections included in the refinement | 0.0546 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/2311982.html
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