Crystallography Open Database

Information card for entry 1506824

Preview

Coordinates	1506824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 N3 O3.5 P0.5 Tb0.5
Calculated formula	C33 H36 N3 O3.5 P0.5 Tb0.5
SMILES	[Tb]123(Oc4n(nc(c4C(=[O]1)CC(C)(C)C)C)c1ccccc1)(Oc1n(nc(c1C(=[O]2)CC(C)(C)C)C)c1ccccc1)(Oc1n(nc(c1C(=[O]3)CC(C)(C)C)C)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes
Authors of publication	Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui
Journal of publication	The Journal of Physical Chemistry B
Year of publication	2004
Journal volume	108
Journal issue	30
Pages of publication	10796
a	12.049 ± 0.002 Å
b	13.986 ± 0.003 Å
c	18.529 ± 0.004 Å
α	96.74 ± 0.03°
β	104.78 ± 0.03°
γ	90.23 ± 0.03°
Cell volume	2996.4 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0583
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 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.	1506824.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506824.cif
51463	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506824 via cif-deposit CGI script.	1506824.cif