Crystallography Open Database

Information card for entry 1504354

Preview

Coordinates	1504354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H22 F18 N5 O6 Sm
Calculated formula	C41 H22 F18 N5 O6 Sm
SMILES	[Sm]12345(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)([n]1cccc2ccc3ccc[n]4c3c12)[n]1cccc2ccc3ccc[n]5c3c12.N#CC
Title of publication	Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination.
Authors of publication	Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi
Journal of publication	The journal of physical chemistry. A
Year of publication	2008
Journal volume	112
Journal issue	5
Pages of publication	803 - 807
a	11.69 ± 0.002 Å
b	19.656 ± 0.004 Å
c	20.63 ± 0.005 Å
α	90°
β	93.412 ± 0.008°
γ	90°
Cell volume	4731.9 ± 1.7 Å³
Cell temperature	173.1 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	0.0628
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504354.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504354.cif
41978	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504353, 1504354 via cif-deposit CGI script.	1504354.cif