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Information card for entry 7043405
Preview
Coordinates | 7043405.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H126 Cu4 N16 O44 P2 |
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Calculated formula | C96 H126 Cu4 N16 O44 P2 |
Title of publication | Recognition of Phosphopeptides by a Dinuclear Copper(II) Macrocyclic Complex in Water:Methanol 50:50 v/v Solution |
Authors of publication | Mesquita, Lígia M.; Mateus, Pedro; Fernandes, Rui D. V.; Iranzo, Olga; André, Vânia; Tiago de Oliveira, Filipe; Platas-Iglesias, Carlos; Delgado, Rita |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 12.6536 ± 0.0006 Å |
b | 18.7909 ± 0.0009 Å |
c | 26.3295 ± 0.0012 Å |
α | 81.48 ± 0.002° |
β | 79.723 ± 0.002° |
γ | 88.933 ± 0.002° |
Cell volume | 6091.8 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.2086 |
Residual factor for significantly intense reflections | 0.0926 |
Weighted residual factors for significantly intense reflections | 0.2289 |
Weighted residual factors for all reflections included in the refinement | 0.2845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7043405.html
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Users of the data should acknowledge the original authors of the
structural data.