Crystallography Open Database

Information card for entry 1504353

Preview

Coordinates	1504353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H16 F18 N3 O6 Sm
Calculated formula	C32 H16 F18 N3 O6 Sm
SMILES	[Sm]1234(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]1ccccc1
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	11.5889 ± 0.0003 Å
b	17.5357 ± 0.0006 Å
c	18.8203 ± 0.0005 Å
α	79.3974 ± 0.001°
β	84.1179 ± 0.0009°
γ	88.0187 ± 0.0012°
Cell volume	3739.08 ± 0.19 Å³
Cell temperature	223.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	1504353.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504353.cif
41978	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504353, 1504354 via cif-deposit CGI script.	1504353.cif