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Information card for entry 1519532
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Coordinates | 1519532.cif |
---|
Formula | C22 H34 Br2 Fe P2 |
---|---|
Calculated formula | C22 H34 Br2 Fe P2 |
SMILES | [c]12([c]3([cH]4[cH]5[cH]1[Fe]16782345[c]2([c]1([cH]6[cH]7[cH]82)P(C(C)C)C(C)C)Br)P(C(C)C)C(C)C)Br |
Title of publication | C22H34Br2FeP2 |
Authors of publication | Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2003 |
Pages of publication | 916 |
a | 8.877 ± 0.001 Å |
b | 17.679 ± 0.003 Å |
c | 15.711 ± 0.003 Å |
α | 90° |
β | 103.859 ± 0.006° |
γ | 90° |
Cell volume | 2393.9 ± 0.7 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0448 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/1519532.html
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