Crystallography Open Database

Information card for entry 7249647

Preview

Coordinates	7249647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cu2 N8 O8
Calculated formula	C18 H28 Cu2 N8 O8
Title of publication	Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution
Authors of publication	Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka
Journal of publication	CrystEngComm
Year of publication	2024
a	12.09436 ± 0.00016 Å
b	13.9509 ± 0.0002 Å
c	20.3839 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3439.32 ± 0.08 Å³
Cell temperature	170 ± 1 K
Ambient diffraction temperature	170 ± 1 K
Number of distinct elements	5
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296128 (current)	2024-11-27	cif/ Adding structures of 7249643, 7249644, 7249645, 7249646, 7249647, 7249648 via cif-deposit CGI script.	7249647.cif