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Information card for entry 4301753
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Coordinates | 4301753.cif |
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Original paper (by DOI) | HTML |
Common name | PyacFeCl(NAd) |
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Chemical name | (1-(2-admantylamino-4,6-dimethylphenyl)-5,9-dimesityldipyrromethenato) iron(II) chloride |
Formula | C49.5 H60.75 Cl Fe N3 O0.88 |
Calculated formula | C49.5 H60.75 Cl Fe N3 O0.875 |
Title of publication | C-H Bond Amination from a Ferrous Dipyrromethene Complex |
Authors of publication | Evan R. King; Theodore A. Betley |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 2361 - 2363 |
a | 13.5302 ± 0.0005 Å |
b | 18.9005 ± 0.0006 Å |
c | 18.6766 ± 0.0006 Å |
α | 90° |
β | 97.444 ± 0.002° |
γ | 90° |
Cell volume | 4735.9 ± 0.3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 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 | 0.1596 |
Residual factor for significantly intense reflections | 0.089 |
Weighted residual factors for significantly intense reflections | 0.2432 |
Weighted residual factors for all reflections included in the refinement | 0.2946 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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