Crystallography Open Database

Information card for entry 7718172

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Coordinates	7718172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 Cl3 Cu1.5 N7
Calculated formula	C18 H27 Cl3 Cu1.5 N7
Title of publication	Cationic-anionic complexes of Cu(II) and Co(II) with <i>N</i>-scorpionate ligand - structure, spectroscopy, and catecholase activity.
Authors of publication	Zienkiewicz-Machnik, Małgorzata; Luboradzki, Roman; Mech-Piskorz, Justyna; Angulo, Gonzalo; Nogala, Wojciech; Ratajczyk, Tomasz; Aleshkevych, Pavlo; Kubas, Adam
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
a	13.5359 ± 0.0002 Å
b	11.7557 ± 0.0002 Å
c	29.3343 ± 0.0005 Å
α	90°
β	101.057 ± 0.002°
γ	90°
Cell volume	4581.14 ± 0.13 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297913 (current)	2025-02-28	cif/ Adding structures of 7718172, 7718173 via cif-deposit CGI script.	7718172.cif