Crystallography Open Database

Information card for entry 7714452

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Coordinates	7714452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H78 Fe6 N40 O27 S8
Calculated formula	C56 H78 Fe6 N40 O27 S8
Title of publication	Synthesis, a unique structure and properties of the tetranitrosyl iron complex, the inhibitor of phosphodiesterase 1
Authors of publication	Sanina, Nataliya A.; Utenyshev, Andrey N.; Dorovatovskii, Pavel; Emel’yanova, Nina S.; Ovanesyan, Nikolai S.; Kulikov, Alexander V.; Sulimenkov, Ilia; Luzhkov, Victor B.; Pokidova, Olesya Viktorovna; Aldoshin, Sergey M.
Journal of publication	Dalton Transactions
Year of publication	2023
a	34.716 ± 0.007 Å
b	7.5037 ± 0.0015 Å
c	24.024 ± 0.005 Å
α	90°
β	131.88 ± 0.03°
γ	90°
Cell volume	4660 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1785
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.80246 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287533 (current)	2023-11-11	cif/ Adding structures of 7714452 via cif-deposit CGI script.	7714452.cif