Crystallography Open Database

Information card for entry 7214379

Preview

Coordinates	7214379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H124 N12 O40 P6 Zn9
Calculated formula	C92 H104 N12 O40 P6 Zn9
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	14.909 ± 0.005 Å
b	18.496 ± 0.006 Å
c	21.715 ± 0.007 Å
α	90°
β	99.53 ± 0.005°
γ	90°
Cell volume	5905 ± 3 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	0.0513
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
180474 (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 7/21/43.	7214379.cif
116178	2014-06-07	cif/ Updating files of 7214378, 7214379 Original log message: Adding full bibliography for 7214378--7214379.cif.	7214379.cif
109493	2014-04-15	cif/ Adding structures of 7214378, 7214379 via cif-deposit CGI script.	7214379.cif