Crystallography Open Database

Information card for entry 7214179

Preview

Coordinates	7214179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 N3 Nd O9 S2
Calculated formula	C22 H13 N3 Nd O9 S2
Title of publication	Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics
Authors of publication	Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	14
Pages of publication	2898
a	20.199 ± 0.004 Å
b	18.625 ± 0.003 Å
c	13.918 ± 0.003 Å
α	90°
β	117.069 ± 0.002°
γ	90°
Cell volume	4662.5 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1163
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
180472 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/41.	7214179.cif
107106	2014-03-17	cif/ Adding structures of 7214178, 7214179, 7214180, 7214181, 7214182, 7214183, 7214184, 7214185, 7214186, 7214187, 7214188, 7214189, 7214190 via cif-deposit CGI script.	7214179.cif