Crystallography Open Database

Information card for entry 7214642

Preview

Coordinates	7214642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 N2 O10 P2 Zn2
Calculated formula	C14 H18 N2 O10 P2 Zn2
Title of publication	New 3D metal phosphonates with bright tunable luminescence for the reversible sensing of nitrobenzene
Authors of publication	Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	5761
a	23.334 ± 0.016 Å
b	9.933 ± 0.005 Å
c	8.938 ± 0.005 Å
α	90°
β	112.509 ± 0.007°
γ	90°
Cell volume	1914 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0348
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
180477 (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 7/21/46.	7214642.cif
110934	2014-04-20	cif/ Adding structures of 7214642, 7214643 via cif-deposit CGI script.	7214642.cif