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Information card for entry 4087829
Preview
Coordinates | 4087829.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H61 Fe N5 |
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Calculated formula | C58 H61 Fe N5 |
SMILES | [Fe]123(=C4N(C(=C(N4C(C)C)C)C)C(C)C)(C#[N]c4c(cccc4C)C)(C#[N]c4c(cccc4C)C)[C]4(=[C]2([c]23cccc[c]12C4=Nc1c(cccc1C)C)c1ccccc1)c1ccccc1 |
Title of publication | Three-Coordinate Iron(II) Dialkenyl Compound with NHC Ligation: Synthesis, Structure, and Reactivity |
Authors of publication | Liu, Yuesheng; Wang, Lei; Deng, Liang |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 17 |
Pages of publication | 4401 |
a | 10.857 ± 0.0009 Å |
b | 24.803 ± 0.002 Å |
c | 18.03 ± 0.0014 Å |
α | 90° |
β | 99.262 ± 0.002° |
γ | 90° |
Cell volume | 4791.9 ± 0.7 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1145 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1027 |
Weighted residual factors for all reflections included in the refinement | 0.1235 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
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/4087829.html
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