Crystallography Open Database

Information card for entry 1517704

Preview

Coordinates	1517704.cif

Structure parameters

Formula	C28 H26 Cu N4 O9
Calculated formula	C28 H26 Cu N4 O9
SMILES	[Cu]12(OC(=O)[C@@H](CC(=O)O)[C@H](C(=O)O)CC(=O)O)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.O
Title of publication	Novel topological supramolecular architectures based on partially protonated butane-1,2,3,4-tetracarboxylato complexes: Synthesis, structures and magnetic properties
Authors of publication	Hong-Lin Zhu; Jin-Li Qi; Jian-Li Lin; Wei Xu; Jiang Wu; Yue-Qing Zheng
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	404
Pages of publication	49 - 57
a	10.883 ± 0.002 Å
b	11.419 ± 0.002 Å
c	12.549 ± 0.003 Å
α	63.59 ± 0.03°
β	88.3 ± 0.03°
γ	71.96 ± 0.03°
Cell volume	1317.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517704.cif
123760	2014-09-12	cif/ Adding structures of 1517704 via cif-deposit CGI script.	1517704.cif