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Information card for entry 4122860
Preview
Coordinates | 4122860.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H41 B Fe N2 O2 |
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Calculated formula | C33 H41 B Fe N2 O2 |
SMILES | [Fe]1234(C#[O])(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C |
Title of publication | Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation. |
Authors of publication | Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 44 |
Pages of publication | 15730 - 15741 |
a | 15.1999 ± 0.0001 Å |
b | 36.2208 ± 0.0003 Å |
c | 12.2597 ± 0.0001 Å |
α | 90° |
β | 105.802 ± 0.0005° |
γ | 90° |
Cell volume | 6494.52 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0534 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for all reflections | 0.1087 |
Weighted residual factors for significantly intense reflections | 0.0928 |
Weighted residual factors for all reflections included in the refinement | 0.1087 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9342 |
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/4122860.html
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