Crystallography Open Database

Information card for entry 1506363

Preview

Coordinates	1506363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H44 N2 Nd O6.5
Calculated formula	C58 H41 N2 Nd O6.5
SMILES	[Nd]1234([n]5cccc6ccc7ccc[n]1c7c56)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1.OCC
Title of publication	Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application.
Authors of publication	Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin
Journal of publication	The journal of physical chemistry. B
Year of publication	2005
Journal volume	109
Journal issue	13
Pages of publication	6174 - 6182
a	12.5701 ± 0.0008 Å
b	13.0988 ± 0.0008 Å
c	16.2767 ± 0.001 Å
α	93.17 ± 0.001°
β	96.448 ± 0.001°
γ	109.387 ± 0.001°
Cell volume	2499.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	1506363.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506363.cif
50252	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506363 via cif-deposit CGI script.	1506363.cif