Crystallography Open Database

Information card for entry 1561200

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Structure parameters

Formula	C36 H40 Cu F6 N10 O9
Calculated formula	C36 H40 Cu F6 N10 O9
SMILES	c1[n](cn(C[C@]([C@@H](C)c2c(cncn2)F)(O)c2c(F)cc(F)cc2)n1)[Cu](OC(=O)C)([n]1cnn(c1)C[C@]([C@@H](C)c1c(cncn1)F)(O)c1c(F)cc(F)cc1)OC(=O)C.O.O.O
Title of publication	Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties
Authors of publication	Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	259
Pages of publication	19 - 27
a	15.983 ± 0.003 Å
b	6.9023 ± 0.0012 Å
c	18.329 ± 0.003 Å
α	90°
β	106.408 ± 0.003°
γ	90°
Cell volume	1939.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1561200.cif
263246	2021-03-23	cif/ Adding structures of 1561200, 1561201, 1561202 via cif-deposit CGI script.	1561200.cif