Crystallography Open Database

Information card for entry 7226682

Preview

Structure parameters

Formula	C60 H66 N9 O13 Sm
Calculated formula	C60 H66 N9 O13 Sm
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	12.415 ± 0.0018 Å
b	15.719 ± 0.002 Å
c	16.661 ± 0.002 Å
α	97.375 ± 0.002°
β	103.26 ± 0.002°
γ	105.382 ± 0.002°
Cell volume	2988.7 ± 0.7 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	0.1195
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1617
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226682.cif
186851	2016-09-30	cif/ Adding structures of 7226682, 7226683 via cif-deposit CGI script.	7226682.cif