Crystallography Open Database

Information card for entry 7240958

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Structure parameters

Chemical name	trans-(μ-D-leucinato)(μ-L-leucinato)copper(ii)
Formula	C12 H24 Cu N2 O4
Calculated formula	C12 H24 Cu N2 O4
SMILES	[Cu]12(OC(=O)[C@@H]([NH2]1)CC(C)C)OC(=O)[C@H]([NH2]2)CC(C)C
Title of publication	Coordination polymers of paramagnetic bis(leucinato)copper(II) diastereomers: experimental and computational study of the stereoisomerism and conformations
Authors of publication	Vušak, Darko; Pejić, Jelena; Jurković, Mia; Szalontai, Gábor; Sabolovic, Jasmina
Journal of publication	CrystEngComm
Year of publication	2020
a	28.454 ± 0.002 Å
b	4.9978 ± 0.0005 Å
c	9.7968 ± 0.0012 Å
α	90°
β	90.999 ± 0.009°
γ	90°
Cell volume	1393 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1216
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1641
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240958.cif
254612	2020-07-28	cif/ Adding structures of 7240958 via cif-deposit CGI script.	7240958.cif