Crystallography Open Database

Information card for entry 7718516

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Coordinates	7718516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 Cl2 Fe N8 O10
Calculated formula	C20 H34 Cl2 Fe N8 O10
Title of publication	Reaction of a non-heme iron-nitrosyl with dioxygen: decomposition of the ligand through NOD-like activity.
Authors of publication	Ghosh, Riya; Mazumdar, Rakesh; Samanta, Bapan; Saha, Shankhadeep; Mondal, Biplab
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	19
Pages of publication	7793 - 7800
a	11.9018 ± 0.0006 Å
b	11.9774 ± 0.0006 Å
c	12.2326 ± 0.0006 Å
α	84.555 ± 0.003°
β	74.331 ± 0.003°
γ	68.652 ± 0.002°
Cell volume	1563.77 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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