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Information card for entry 1514936
Preview
Coordinates | 1514936.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H14 Co N5 O |
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Calculated formula | C13 H14 Co N5 O |
SMILES | [Co]123(n4c(C=[N]2CCC[N]3=Cc2n1ccc2)ccc4)N=O |
Title of publication | A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems |
Authors of publication | Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 2 |
Pages of publication | 364 |
a | 10.445 ± 0.005 Å |
b | 11.723 ± 0.005 Å |
c | 11.03 ± 0.005 Å |
α | 90 ± 0.005° |
β | 100.177 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 1329.3 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0254 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
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/1514936.html
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