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Information card for entry 7011433
Preview
Coordinates | 7011433.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H12 Fe I N O |
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Calculated formula | C12 H12 Fe I N O |
SMILES | ICC(=O)N[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91 |
Title of publication | Specific labelling of sulfhydryl-containing biomolecules with redox-active N-(ferrocenyl)iodoacetamide |
Authors of publication | Kam-Wing Lo, Kenneth; Shing-Yip Lau, Jason; Chun-Ming Ng, Dominic; Zhu, Nianyong |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 8 |
Pages of publication | 1753 |
a | 14.041 ± 0.003 Å |
b | 9.534 ± 0.002 Å |
c | 9.553 ± 0.002 Å |
α | 90° |
β | 106.47 ± 0.03° |
γ | 90° |
Cell volume | 1226.4 ± 0.5 Å3 |
Cell temperature | 301 ± 2 K |
Ambient diffraction temperature | 301 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0502 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0768 |
Weighted residual factors for all reflections included in the refinement | 0.0806 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/7011433.html
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