Information card for entry 7100042
Formula |
C15 H10 Br Fe2 N O6 S2 |
Calculated formula |
C15 H10 Br Fe2 N O6 S2 |
SMILES |
[Fe]12([Fe]3([S]1CN(Cc1c(Br)cccc1)C[S]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[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 |
13.3549 ± 0.0009 Å |
b |
14.8313 ± 0.001 Å |
c |
19.7845 ± 0.0011 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3918.7 ± 0.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
7 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7100042.html