Crystallography Open Database

Information card for entry 1565200

Preview

Coordinates	1565200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Cd O7
Calculated formula	C14 H16 Cd O7
SMILES	[Cd]12(OC(=[O]1)c1ccccc1)(OC(=[O]2)c1ccccc1)([OH2])([OH2])[OH2]
Title of publication	Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures
Authors of publication	Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119561
a	9.6838 ± 0.0006 Å
b	10.2466 ± 0.0006 Å
c	30.956 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3071.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
270618 (current)	2021-11-12	cif/ Adding structures of 1565200 via cif-deposit CGI script.	1565200.cif