Crystallography Open Database

Information card for entry 1565202

Preview

Coordinates	1565202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H48 Cd2 N4 O12
Calculated formula	C56 H48 Cd2 N4 O12
SMILES	C1(c2ccccc2)=[O][Cd]23([n]4ccc(cc4)C(=O)C)([n]4ccc(cc4)C(=O)C)(O1)[O]=C(c1ccccc1)[O]2[Cd]12([n]4ccc(cc4)C(=O)C)([n]4ccc(cc4)C(=O)C)([O]=C(c4ccccc4)O1)[O]=C(c1ccccc1)[O]32
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	13.3285 ± 0.0005 Å
b	13.3285 ± 0.0005 Å
c	27.8077 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4940 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0586
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
270620 (current)	2021-11-12	cif/ Adding structures of 1565202 via cif-deposit CGI script.	1565202.cif