Crystallography Open Database

Information card for entry 7249646

Preview

Coordinates	7249646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cu2 N8 O7
Calculated formula	C18 H24 Cu2 N8 O7
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; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	3
Pages of publication	356 - 365
a	8.3611 ± 0.001 Å
b	8.3611 ± 0.001 Å
c	30.45 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1843.5 ± 0.4 Å³
Cell temperature	370 ± 1 K
Ambient diffraction temperature	370 ± 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	0.1029
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.2266
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
298224 (current)	2025-03-04	cif/ Updating files of 7249643, 7249644, 7249645, 7249646, 7249647, 7249648 Original log message: Adding full bibliography for 7249643--7249648.cif.	7249646.cif
296128	2024-11-27	cif/ Adding structures of 7249643, 7249644, 7249645, 7249646, 7249647, 7249648 via cif-deposit CGI script.	7249646.cif