Crystallography Open Database

Information card for entry 7249648

Preview

Coordinates	7249648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H54 Cu2 N8 O13.5
Calculated formula	C25.5 H54 Cu2 N8 O13.5
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	13.3717 ± 0.0009 Å
b	13.3717 ± 0.0009 Å
c	36.41 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	5638 ± 0.6 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.1463
Residual factor for significantly intense reflections	0.1068
Weighted residual factors for significantly intense reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.2223
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7249648.cif