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Information card for entry 2237109
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2237109.cif |
---|---|
Structure factors | 2237109.hkl |
Original IUCr paper | HTML |
Chemical name | <i>rac</i>-(<i>S</i>,<i>S</i>)-Bis(1-ferrocenylbut-3-enyl) ether |
---|---|
Formula | C28 H30 Fe2 O |
Calculated formula | C28 H30 Fe2 O |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(OC([c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)CC=C)CC=C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | <i>rac</i>-(<i>S</i>,<i>S</i>)-Bis(1-ferrocenylbut-3-enyl) ether |
Authors of publication | Xie, Hao-Jun; Zhao, Chun-Zheng; Sun, Jun; Chen, Si; Wang, Jian-Jun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 1 |
Pages of publication | m16 |
a | 9.7865 ± 0.0015 Å |
b | 9.8274 ± 0.0015 Å |
c | 12.1816 ± 0.0019 Å |
α | 99.405 ± 0.002° |
β | 94.976 ± 0.002° |
γ | 101.657 ± 0.002° |
Cell volume | 1123.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0315 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.0998 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.813 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2237109.html
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Users of the data should acknowledge the original authors of the
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