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Information card for entry 7102769
Preview
Coordinates | 7102769.cif |
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Original paper (by DOI) | HTML |
Common name | FeCl(O2NO)BuMe |
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Formula | C29 H41 Cl Fe N O3 |
Calculated formula | C29 H41 Cl Fe N O3 |
SMILES | [Fe]123(Cl)[O]4C(C[N]3(Cc3cc(cc(c3O2)C(C)(C)C)C)Cc2c(O1)c(cc(c2)C)C(C)(C)C)CCC4 |
Title of publication | Iron(III) amine-bis(phenolate) complexes as catalysts for the coupling of alkyl halides with aryl Grignard reagents |
Authors of publication | Chowdhury, Rajoshree Roy; Crane, Angela K.; Fowler, Candace; Kwong, Philip; Kozak, Christopher M. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2008 |
Journal issue | 1 |
Pages of publication | 94 - 96 |
a | 9.7824 ± 0.0008 Å |
b | 25.0778 ± 0.0019 Å |
c | 12.3276 ± 0.0009 Å |
α | 90° |
β | 95.078 ± 0.002° |
γ | 90° |
Cell volume | 3012.3 ± 0.4 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0835 |
Residual factor for significantly intense reflections | 0.0744 |
Weighted residual factors for significantly intense reflections | 0.189 |
Weighted residual factors for all reflections included in the refinement | 0.1975 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
Diffraction radiation wavelength | 0.7107 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/7102769.html
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