Crystallography Open Database

Information card for entry 1506826

Preview

Coordinates	1506826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H59 N6 O7 Tb
Calculated formula	C48 H58 N6 O7 Te
SMILES	[Te]123(Oc4n(nc(c4C(=[O]1)CC(C)(C)C)C)c1ccccc1)(O)(Oc1n(nc(c1C(=[O]2)CC(C)(C)C)C)c1ccccc1)Oc1n(nc(c1C(=[O]3)CC(C)(C)C)C)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	15.4491 ± 0.0005 Å
b	23.7237 ± 0.0007 Å
c	15.08 ± 0.0005 Å
α	90°
β	118.064 ± 0.001°
γ	90°
Cell volume	4877.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1218
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	0.831
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506826.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506826.cif
51465	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506826 via cif-deposit CGI script.	1506826.cif