Crystallography Open Database

Information card for entry 1564478

Preview

Coordinates	1564478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N2 O8 Zn
Calculated formula	C22 H24 N2 O8 Zn
SMILES	C(=O)(/C(NC(=O)C)=C/c1ccccc1)O[Zn]([OH2])(OC(=O)/C(NC(=O)C)=C/c1ccccc1)[OH2]
Title of publication	Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)
Authors of publication	Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	509
Pages of publication	119695
a	24.5715 ± 0.0009 Å
b	5.7176 ± 0.0002 Å
c	15.761 ± 0.0006 Å
α	90°
β	92.162 ± 0.002°
γ	90°
Cell volume	2212.69 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0455
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0659
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
268320 (current)	2021-08-31	cif/ Adding structures of 1564478 via cif-deposit CGI script.	1564478.cif