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Information card for entry 4110051
Preview
Coordinates | 4110051.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H58 Fe2 K N4 O12 S2 |
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Calculated formula | C28 H58 Fe2 K N4 O12 S2 |
SMILES | C(C)(C)(C)[S]1[Fe](N=O)(N=O)[S](C(C)(C)C)[Fe]1(N=O)N=O.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CCCC1 |
Title of publication | EPR, UV-Vis, IR, and X-ray Demonstration of the Anionic Dimeric Dinitrosyl Iron Complex [(NO)2Fe(μ-StBu)2Fe(NO)2]-: Relevance to the Products of Nitrosylation of Cytosolic and Mitochondrial Aconitases, and High-Potential Iron Proteins |
Authors of publication | Chih-Chin Tsou; Tsai-Te Lu; Wen-Feng Liaw |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 12626 - 12627 |
a | 9.3586 ± 0.0002 Å |
b | 9.8599 ± 0.0002 Å |
c | 11.6271 ± 0.0003 Å |
α | 93.428 ± 0.001° |
β | 97.556 ± 0.001° |
γ | 101.899 ± 0.001° |
Cell volume | 1036.53 ± 0.04 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1087 |
Weighted residual factors for all reflections included in the refinement | 0.1221 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/4110051.html
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Users of the data should acknowledge the original authors of the
structural data.