Crystallography Open Database

Information card for entry 7211149

Preview

Coordinates	7211149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H150 N14 O48 P6 Zn9
Calculated formula	C96.006 H114 N14 O48 P6 Zn9
Title of publication	Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation
Authors of publication	Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	44
Pages of publication	8937
a	15.836 ± 0.006 Å
b	22.682 ± 0.008 Å
c	18.49 ± 0.007 Å
α	90°
β	105.99 ± 0.006°
γ	90°
Cell volume	6385 ± 4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
180442 (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 7/21/11.	7211149.cif
90214	2013-11-17	cif/ Adding structures of 7211148, 7211149, 7211150, 7211151 via cif-deposit CGI script.	7211149.cif