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Information card for entry 1549862
Preview
Coordinates | 1549862.cif |
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Original paper (by DOI) | HTML |
Formula | C800.5 H916 Cl20.5 Cu8 N43 O114 |
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Calculated formula | C800.5 H916 Cl20.5 Cu8 N43 O114 |
Title of publication | Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic. |
Authors of publication | Le Poul, Nicolas; Colasson, Benoit; Thiabaud, Grégory; Dit Fouque, Dany Jeanne; Iacobucci, Claudio; Memboeuf, Antony; Douziech, Bénédicte; Řezáč, Jan; Prangé, Thierry; de la Lande, Aurélien; Reinaud, Olivia; Le Mest, Yves |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 43 |
Pages of publication | 8282 - 8290 |
a | 30.0973 ± 0.001 Å |
b | 30.8663 ± 0.001 Å |
c | 31.9583 ± 0.001 Å |
α | 91.509 ± 0.01° |
β | 102.049 ± 0.01° |
γ | 94.109 ± 0.01° |
Cell volume | 28934 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1211 |
Residual factor for significantly intense reflections | 0.1153 |
Weighted residual factors for significantly intense reflections | 0.3647 |
Weighted residual factors for all reflections included in the refinement | 0.3688 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.524 |
Diffraction radiation wavelength | 0.954 Å |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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