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Information card for entry 1519250
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Coordinates | 1519250.cif |
---|
Formula | C26 H17 Br Fe |
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Calculated formula | C26 H17 Br Fe |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[c]8([cH]7[cH]6[cH]12)C#Cc1c2ccccc2c(c2ccccc12)Br |
Title of publication | C26H17BrFe |
Authors of publication | Butler, Ian. R.; Light, Mark E.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2000 |
Pages of publication | 720 |
a | 10.273 ± 0.0003 Å |
b | 16.4508 ± 0.0005 Å |
c | 11.1879 ± 0.0004 Å |
α | 90° |
β | 96.538 ± 0.002° |
γ | 90° |
Cell volume | 1878.45 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.069 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1405 |
Weighted residual factors for all reflections included in the refinement | 0.1499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/1519250.html
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