Crystallography Open Database

Information card for entry 7226628

Preview

Coordinates	7226628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H49 Cd3 K3 N4 O29
Calculated formula	C63 H49 Cd3 K3 N4 O29
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	19.2145 ± 0.0017 Å
b	26.4088 ± 0.0017 Å
c	17.7174 ± 0.0012 Å
α	90°
β	118.431 ± 0.002°
γ	90°
Cell volume	7906.1 ± 1 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0979
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
188102 (current)	2016-11-08	cif/ Updating files of 7226626, 7226627, 7226628, 7226629, 7226630 Original log message: Adding full bibliography for 7226626--7226630.cif.	7226628.cif
186772	2016-09-25	cif/ Adding structures of 7226626, 7226627, 7226628, 7226629, 7226630 via cif-deposit CGI script.	7226628.cif