Crystallography Open Database

Information card for entry 1512955

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Structure parameters

Formula	C25 H32 Cu Gd N5 O14
Calculated formula	C25 H32 Cu Gd N5 O14
SMILES	c12c3[O]([Gd]45678(ON(=[O]4)=O)(ON(=[O]5)=O)([O]1[Cu]14[N](=Cc2ccc3)[C@@H]2CCCC[C@H]2[N]1=Cc1c(c(ccc1)[O]7CC)[O]84)ON(=[O]6)=O)CC.OC
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	11.87 ± 0.006 Å
b	14.995 ± 0.008 Å
c	17.229 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	3067 ± 3 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	0.1467
Residual factor for significantly intense reflections	0.1001
Weighted residual factors for significantly intense reflections	0.1767
Weighted residual factors for all reflections included in the refinement	0.2148
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1512955.cif
176729	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.	1512955.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512955.cif
91287	2013-12-11	cif/ Adding structures of 1512955 via cif-deposit CGI script.	1512955.cif