Crystallography Open Database

Information card for entry 1562000

1561999 << 1562000 >> 1562001

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Structure parameters

Formula	C30 H32 Cu N2 O8
Calculated formula	C30 H32 Cu N2 O8
SMILES	C(=C\C(=O)O[Cu]([n]1ccccc1)([n]1ccccc1)OC(=O)/C=C/c1cc(ccc1)O)/c1cc(ccc1)O.OC.OC
Title of publication	A new coordination mode of (E)-3-(3-hydroxyl-phenyl)-acrylic acid in copper complex: Crystal structure and magnetic properties
Authors of publication	Jin, Xin; Zhou, Pei; Zheng, Chunying; Li, Hui
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	225
Pages of publication	41 - 44
a	9.6065 ± 0.0016 Å
b	14.179 ± 0.002 Å
c	10.494 ± 0.0018 Å
α	90°
β	92.379 ± 0.002°
γ	90°
Cell volume	1428.2 ± 0.4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	1562000.cif
264402	2021-04-22	cif/ Adding structures of 1562000 via cif-deposit CGI script.	1562000.cif