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Information card for entry 4342978
Preview
Coordinates | 4342978.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H54 Fe N4 |
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Calculated formula | C36 H54 Fe N4 |
SMILES | [Fe](=C1N(C(=C(N1C(C)C)C)C)C(C)C)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)(c1ccc(cc1)C)c1ccc(cc1)C |
Title of publication | Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution. |
Authors of publication | Liu, Yuesheng; Luo, Lun; Xiao, Jie; Wang, Lei; Song, You; Qu, Jingping; Luo, Yi; Deng, Liang |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 10 |
Pages of publication | 4752 - 4760 |
a | 10.3993 ± 0.0009 Å |
b | 19.7004 ± 0.0017 Å |
c | 17.6626 ± 0.0016 Å |
α | 90° |
β | 106.504 ± 0.001° |
γ | 90° |
Cell volume | 3469.5 ± 0.5 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0675 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1265 |
Weighted residual factors for all reflections included in the refinement | 0.1399 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/4342978.html
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