Information card for entry 7100043
Formula |
C15 H11 Br Cl Fe2 N O10 S2 |
Calculated formula |
C15 H11 Br Cl Fe2 N O10 S2 |
SMILES |
[NH+]1(Cc2c(Br)cccc2)C[S]2[Fe]3([Fe]2([S]3C1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].Cl(=O)(=O)(=O)[O-] |
Title of publication |
Spectroscopic and crystallographic evidence for the N-protonated Fe^I^Fe^I^ azadithiolate complex related to the active site of Fe-only hydrogenases |
Authors of publication |
Wang, Fujun; Wang, Mei; Liu, Xiaoyang; Jin, Kun; Dong, Weibing; Li, Guanghua; Åkermark, Björn; Sun, Licheng |
Journal of publication |
Chemical Communications (Cambridge, United Kingdom) |
Year of publication |
2005 |
Journal issue |
25 |
Pages of publication |
3221 - 3223 |
a |
22.953 ± 0.01 Å |
b |
6.611 ± 0.003 Å |
c |
15.033 ± 0.006 Å |
α |
90° |
β |
104.63 ± 0.03° |
γ |
90° |
Cell volume |
2207.2 ± 1.6 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
8 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7100043.html