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Information card for entry 7040310
Preview
Coordinates | 7040310.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H18 Cl Fe N O4 S2 |
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Calculated formula | C15 H18 Cl Fe N O4 S2 |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)S(=O)(=O)Cl)S(=O)(=O)NC1CCCC1 |
Title of publication | The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives. |
Authors of publication | Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 36 |
Pages of publication | 14320 - 14326 |
a | 7.6445 ± 0.0002 Å |
b | 10.0532 ± 0.0002 Å |
c | 12.1654 ± 0.0003 Å |
α | 68.802 ± 0.001° |
β | 87.487 ± 0.001° |
γ | 84.924 ± 0.001° |
Cell volume | 868.18 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0308 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040310.html
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