Crystallography Open Database

Information card for entry 7226683

Preview

Coordinates	7226683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H64 N10 O14 Sm2
Calculated formula	C50 H64 N10 O14 Sm2
SMILES	[n]12ccccc2[C@H]2[N]3=Cc4cccc(c4O[Sm]4513([OH]CC)([NH]1[C@H]2c2[n](cccc2)[Sm]2361([N](=Cc1cccc(c1O6)OCC)[C@@H](c1[n]2cccc1)[C@H]([NH]43)c1[n]5cccc1)([OH]CC)[OH]CC)[OH]CC)OCC.N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Two samarium(III) complexes with tunable fluorescence from in situ reactions of 2-ethoxy-6-((pyridin-2-ylmethylimino)methyl)phenol with Sm3+ion
Authors of publication	Qin, Wei; Zheng, Zhi-Peng; Feng, Hai-Xin; Hong, Xu-Jia; Huang, Xia; Peng, Hai-Jun; Cai, Yue-Peng
Journal of publication	RSC Adv.
Year of publication	2016
a	10.675 ± 0.004 Å
b	11.181 ± 0.004 Å
c	13.204 ± 0.004 Å
α	79.82 ± 0.006°
β	81.137 ± 0.006°
γ	65.029 ± 0.006°
Cell volume	1400.6 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0658
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186851 (current)	2016-09-30	cif/ Adding structures of 7226682, 7226683 via cif-deposit CGI script.	7226683.cif