Crystallography Open Database

Information card for entry 1564479

Preview

Coordinates	1564479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Cd N2 O8
Calculated formula	C22 H24 Cd N2 O8
SMILES	C1(/C(NC(=O)C)=C/c2ccccc2)=[O][Cd]2(O1)([OH2])([O]=C(/C(NC(=O)C)=C/c1ccccc1)O2)[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	24.7566 ± 0.001 Å
b	5.6126 ± 0.0002 Å
c	16.3388 ± 0.0006 Å
α	90°
β	98.895 ± 0.002°
γ	90°
Cell volume	2242.95 ± 0.15 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	0.0198
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
268321 (current)	2021-08-31	cif/ Adding structures of 1564479 via cif-deposit CGI script.	1564479.cif