Crystallography Open Database

Information card for entry 4344819

Preview

Coordinates	4344819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 N9 O12 Sm
Calculated formula	C33 H30 N9 O12 Sm
Title of publication	Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.
Authors of publication	Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	1
Pages of publication	114 - 124
a	23.473 ± 0.008 Å
b	8.794 ± 0.003 Å
c	36.244 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	7482 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
175654 (current)	2016-02-04	cif/ Adding structures of 4344819 via cif-deposit CGI script.	4344819.cif