Crystallography Open Database

Information card for entry 7226630

Preview

Coordinates	7226630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H67 Ca2 Cd4 N5 O35
Calculated formula	C76 H67 Ca2 Cd4 N5 O35
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	19.999 ± 0.0011 Å
b	18.6284 ± 0.0011 Å
c	35.123 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	13085.1 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7226630.cif
186772	2016-09-25	cif/ Adding structures of 7226626, 7226627, 7226628, 7226629, 7226630 via cif-deposit CGI script.	7226630.cif