Crystallography Open Database

Information card for entry 7226627

Preview

Coordinates	7226627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H48 Cd6 K2 Na4 O51
Calculated formula	C96 H48 Cd6 K2 Na4 O51
Title of publication	Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection
Authors of publication	Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	42
Pages of publication	8301
a	18.9895 ± 0.0013 Å
b	28.481 ± 0.002 Å
c	16.9587 ± 0.0018 Å
α	90°
β	119.896 ± 0.002°
γ	90°
Cell volume	7951.4 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.0899
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1707
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
188102 (current)	2016-11-08	cif/ Updating files of 7226626, 7226627, 7226628, 7226629, 7226630 Original log message: Adding full bibliography for 7226626--7226630.cif.	7226627.cif
186772	2016-09-25	cif/ Adding structures of 7226626, 7226627, 7226628, 7226629, 7226630 via cif-deposit CGI script.	7226627.cif