Crystallography Open Database

Information card for entry 1514168

Preview

Coordinates	1514168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N9 O10 Tb
Calculated formula	C21 H20 N9 O10 Tb
SMILES	[Tb]123(Oc4n[nH]c(=O)c5c4[n]2ccc5)(Oc2c4[n]1cccc4c(=O)[nH]n2)(Oc1n[nH]c(=O)c2ccc[n]3c12)([OH2])([OH2])[OH2].O
Title of publication	A series of mononuclear lanthanide complexes featuring 3-D supramolecular networks: synthesis, characterization and luminescent properties for sensing guest molecules.
Authors of publication	Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2014
Journal volume	13
Journal issue	4
Pages of publication	660 - 670
a	5.9758 ± 0.0002 Å
b	21.4942 ± 0.0013 Å
c	18.3468 ± 0.0012 Å
α	90°
β	91.887 ± 0.004°
γ	90°
Cell volume	2355.3 ± 0.2 Å³
Cell temperature	98.6 K
Ambient diffraction temperature	98.6 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	0.0646
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1514168.cif
108382	2014-03-30	cif/ Adding structures of 1514167, 1514168 via cif-deposit CGI script.	1514168.cif