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Information card for entry 1552341
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Coordinates | 1552341.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Mn(CO)3(k3N-tqa]Br*(H2O)3 |
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Formula | C4.714 H4.286 Br0.143 Mn0.143 N0.571 O0.857 |
Calculated formula | C4.71429 H4.28571 Br0.142857 Mn0.142857 N0.571429 O0.857143 |
Title of publication | Biological activity of manganese(I) tricarbonyl complexes on multidrug-resistant Gram-negative bacteria: From functional studies to in vivo activity in Galleria mellonella |
Authors of publication | Güntzel, Paul; Nagel, Christoph; Weigelt, Jeanette; Betts, Jonathan; Pattrick, Calum A.; Southam, Hannah M.; LaRagione, Roberto; Poole, Robert; Schatzschneider, Ulrich |
Journal of publication | Metallomics |
Year of publication | 2019 |
a | 16.4923 ± 0.0009 Å |
b | 13.8229 ± 0.0007 Å |
c | 14.3262 ± 0.0008 Å |
α | 90° |
β | 110.227 ± 0.002° |
γ | 90° |
Cell volume | 3064.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 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 | 0.0414 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0451 |
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/1552341.html
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