Crystallography Open Database

Information card for entry 4331859

Preview

Coordinates	4331859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H30 Er F18 O8 P2
Calculated formula	C51 H30 Er F18 O8 P2
SMILES	[Er]123([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
Title of publication	Novel Stoichiometrically Erbium−Ytterbium Cocrystalline Complex Exhibiting Enhanced Near-Infrared Luminescence
Authors of publication	Zhong, Qi; Wang, Huaishan; Qian, Guodong; Wang, Zhiyu; Zhang, Jiahua; Qiu, Jianrong; Wang, Minquan
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	11
Pages of publication	4537 - 4543
a	17.4229 ± 0.0005 Å
b	15.591 ± 0.0003 Å
c	20.5218 ± 0.0008 Å
α	90°
β	93.494 ± 0.0008°
γ	90°
Cell volume	5564.2 ± 0.3 Å³
Cell temperature	293 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331859.cif
97942	2014-01-29	cif/ Adding structures of 4331859 via cif-deposit CGI script.	4331859.cif