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Information card for entry 4125626
Preview
Coordinates | 4125626.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H40 Fe N4 O2 |
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Calculated formula | C28 H40 Fe N4 O2 |
SMILES | c1(c(C(C)C)cccc1C(C)C)[N]1=C(C(=[N]([Fe]1(N=O)N=O)c1c(C(C)C)cccc1C(C)C)C)C |
Title of publication | {Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical. |
Authors of publication | Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 1 |
Pages of publication | 67 - 70 |
a | 12.478 ± 0.005 Å |
b | 10.528 ± 0.005 Å |
c | 21.296 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 2797.6 ± 1.9 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n a m |
Hall space group symbol | -P 2c 2n |
Residual factor for all reflections | 0.0477 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.1027 |
Weighted residual factors for all reflections included in the refinement | 0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
Diffraction radiation wavelength | 0.71069 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/4125626.html
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