Crystallography Open Database

Information card for entry 7701484

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Structure parameters

Formula	C26 H22 Cu N4 O4
Calculated formula	C26 H22 Cu N4 O4
Title of publication	Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties
Authors of publication	Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna
Journal of publication	Dalton Transactions
Year of publication	2019
a	6.734 ± 0.0007 Å
b	16.637 ± 0.002 Å
c	10.0554 ± 0.0011 Å
α	90°
β	102.871 ± 0.009°
γ	90°
Cell volume	1098.2 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7701484.cif
223276	2019-11-05	cif/ Adding structures of 7701484, 7701485, 7701486, 7701487, 7701488, 7701489, 7701490 via cif-deposit CGI script.	7701484.cif