Crystallography Open Database

Information card for entry 1565165

Preview

Coordinates	1565165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H114 Eu2 N24 O18
Calculated formula	C176 H114 Eu2 N24 O18
SMILES	c12c3cc4cc5[n]3[Eu]36([n]7c5cccc7)([O]=C(c5ccccc5c5cc(nc(c5)c5ncccc5)c5ncccc5)O6)(OC(=O)c5c(c6cc(nc(c6)c6ncccc6)c6ncccc6)cccc5)([OH2])([n]2cccc1)[O]=C(O3)c1c(c2cc3c5cccc[n]5[Eu]567([O]=C(O5)c5c4cccc5)([n]3c(c2)c2[n]7cccc2)([O]=C(O6)c2c(c3cc(nc(c3)c3ncccc3)c3ncccc3)cccc2)(OC(=O)c2c(c3cc(nc(c3)c3ncccc3)c3ncccc3)cccc2)[OH2])cccc1.OC(=O)c1ccccc1c1cc(c2ccccn2)nc(c1)c1ccccn1.OC(=O)c1c(c2cc(c3ccccn3)nc(c2)c2ccccn2)cccc1
Title of publication	Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand
Authors of publication	Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119550
a	21.515 ± 0.003 Å
b	18.53 ± 0.002 Å
c	19.322 ± 0.003 Å
α	90°
β	107.824 ± 0.003°
γ	90°
Cell volume	7333.4 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1722
Residual factor for significantly intense reflections	0.1397
Weighted residual factors for significantly intense reflections	0.2753
Weighted residual factors for all reflections included in the refinement	0.292
Goodness-of-fit parameter for all reflections included in the refinement	1.275
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
270568 (current)	2021-11-10	cif/ Adding structures of 1565165 via cif-deposit CGI script.	1565165.cif