Crystallography Open Database

Information card for entry 7226629

Preview

Coordinates	7226629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H66 Cd6 Mg6 N2 O57
Calculated formula	C104 H66 Cd6 Mg6 N2 O57
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	18.5166 ± 0.0007 Å
b	29.4652 ± 0.0008 Å
c	16.385 ± 0.0004 Å
α	90°
β	119.388 ± 0.003°
γ	90°
Cell volume	7789.2 ± 0.5 Å³
Cell temperature	294.39 K
Ambient diffraction temperature	294.39 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	0.0836
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1628
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7226629.cif
186772	2016-09-25	cif/ Adding structures of 7226626, 7226627, 7226628, 7226629, 7226630 via cif-deposit CGI script.	7226629.cif