Crystallography Open Database

Information card for entry 7211150

Preview

Coordinates	7211150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H150 N14 O48 P6 Zn9
Calculated formula	C96 H114 N13.994 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	15.827 ± 0.006 Å
b	22.632 ± 0.008 Å
c	18.636 ± 0.006 Å
α	90°
β	106.024 ± 0.006°
γ	90°
Cell volume	6416 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1048
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.1974
Weighted residual factors for all reflections included in the refinement	0.2085
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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.	7211150.cif
90214	2013-11-17	cif/ Adding structures of 7211148, 7211149, 7211150, 7211151 via cif-deposit CGI script.	7211150.cif