Crystallography Open Database

Information card for entry 1512954

Preview

Coordinates	1512954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 Cu Gd N5 O14
Calculated formula	C25 H32 Cu Gd N5 O14
SMILES	CC[O]1c2c3c(C=[N]4[C@H]5CCCC[C@@H]5[N]5=Cc6cccc7c6[O]6[Cu]45[O]3[Gd]34516([O]7CC)(ON(=[O]3)=O)([O]=N(=O)O4)[O]=N(=O)O5)ccc2.CO
Title of publication	One-dimensional zigzag chain of Cu-Gd coordination polymers derived from chiral hexadentate Schiff base ligands: Synthesis, structure and magnetic properties
Authors of publication	Yan Sui; Dong-Sheng Liu; Rong-Hua Hu; Jian-Gen Huang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	225 - 229
a	11.8 ± 0.004 Å
b	14.935 ± 0.005 Å
c	17.186 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3028.7 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1521
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	1512954.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512954.cif
91286	2013-12-11	cif/ Adding structures of 1512954 via cif-deposit CGI script.	1512954.cif