Crystallography Open Database

Information card for entry 7215639

Preview

Coordinates	7215639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Cd N5 S3
Calculated formula	C19 H19 Cd N5 S3
Title of publication	Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores
Authors of publication	Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	48
Pages of publication	9163
a	14.3163 ± 0.0003 Å
b	10.7538 ± 0.0003 Å
c	28.2371 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4347.23 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
180487 (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 7/21/56.	7215639.cif
112648	2014-05-03	cif/ Adding structures of 7215637, 7215638, 7215639, 7215640, 7215641, 7215642 via cif-deposit CGI script.	7215639.cif