Crystallography Open Database

Information card for entry 7214378

Preview

Coordinates	7214378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H231 N16 O85.5 P12 Zn18
Calculated formula	C176 H180 N16 O85.5 P12 Zn18
Title of publication	New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence
Authors of publication	Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	24
Pages of publication	5387
a	13.656 ± 0.007 Å
b	23.854 ± 0.014 Å
c	35.19 ± 0.02 Å
α	107.825 ± 0.009°
β	90.226 ± 0.012°
γ	96.903 ± 0.004°
Cell volume	10824 ± 10 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7214378.cif
116178	2014-06-07	cif/ Updating files of 7214378, 7214379 Original log message: Adding full bibliography for 7214378--7214379.cif.	7214378.cif
109493	2014-04-15	cif/ Adding structures of 7214378, 7214379 via cif-deposit CGI script.	7214378.cif