Crystallography Open Database

Information card for entry 7229963

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Coordinates	7229963.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HL30i
Formula	C12 H14 N2 O3
Calculated formula	C12 H14 N2 O3
SMILES	c1cccc(CN/C=C(\C(=O)C)C(=O)OC)n1
Title of publication	Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties
Authors of publication	Dankhoff, Katja; Weber, Birgit
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	6
Pages of publication	818
a	25.029 ± 0.005 Å
b	4.211 ± 0.005 Å
c	28.823 ± 0.005 Å
α	90 ± 0.005°
β	129.016 ± 0.005°
γ	90 ± 0.005°
Cell volume	2360 ± 3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.2176
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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