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Information card for entry 4110759
Preview
Coordinates | 4110759.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-].[nH+]1cc(Cl)ccc1.[nH+]1cc(Cl)ccc1 |
Title of publication | Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation |
Authors of publication | Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Pages of publication | 9584 - 9585 |
a | 7.1853 ± 0.0003 Å |
b | 7.6605 ± 0.0003 Å |
c | 15.4482 ± 0.0006 Å |
α | 82.336 ± 0.003° |
β | 80.555 ± 0.003° |
γ | 70.735 ± 0.003° |
Cell volume | 788.95 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0678 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
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/4110759.html
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