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Information card for entry 4131229
Preview
Coordinates | 4131229.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H15 F3 Mn N3 O6 S |
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Calculated formula | C17 H15 F3 Mn N3 O6 S |
SMILES | [Mn]12([n]3ccccc3C[N]1(Cc1[n]2cccc1)C)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Co-Registered Molecular Logic Gate with a CO-Releasing Molecule Triggered by Light and Peroxide. |
Authors of publication | G, Upendar Reddy; Axthelm, Jörg; Hoffmann, Patrick; Taye, Nandaraj; Gläser, Steve; Görls, Helmar; Hopkins, Samantha L.; Plass, Winfried; Neugebauer, Ute; Bonnet, Sylvestre; Schiller, Alexander |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 14 |
Pages of publication | 4991 - 4994 |
a | 18.8866 ± 0.0006 Å |
b | 11.3425 ± 0.0005 Å |
c | 11.6682 ± 0.0006 Å |
α | 90° |
β | 128.13 ± 0.002° |
γ | 90° |
Cell volume | 1966.2 ± 0.16 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.062 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1307 |
Weighted residual factors for all reflections included in the refinement | 0.1324 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4131229.html
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