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Information card for entry 7205678
Preview
Coordinates | 7205678.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H10 Cl6 Cu N2 |
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Calculated formula | C10 H10 Cl6 Cu N2 |
SMILES | [Cu](Cl)(Cl)([Cl-])[Cl-].Clc1cc[nH+]cc1.Clc1cc[nH+]cc1 |
Title of publication | Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions |
Authors of publication | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 9 |
Pages of publication | 3189 |
a | 7.5585 ± 0.0004 Å |
b | 27.376 ± 0.0013 Å |
c | 8.7184 ± 0.0004 Å |
α | 90° |
β | 115.492 ± 0.002° |
γ | 90° |
Cell volume | 1628.39 ± 0.14 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0191 |
Residual factor for significantly intense reflections | 0.0176 |
Weighted residual factors for significantly intense reflections | 0.0415 |
Weighted residual factors for all reflections included in the refinement | 0.042 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7205678.html
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