Crystallography Open Database

Information card for entry 7249645

Preview

Coordinates	7249645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.41 H30.22 Cu2 N8 O8.59
Calculated formula	C19.406 H30.218 Cu2 N8 O8.594
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	12.0896 ± 0.00008 Å
b	20.35323 ± 0.00015 Å
c	13.73806 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	3380.42 ± 0.04 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 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	0.0296
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
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.	7249645.cif