Crystallography Open Database

Information card for entry 7032808

Preview

Coordinates	7032808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H72 Cd6 N4 O29
Calculated formula	C96 H72 Cd6 N4 O29
Title of publication	A luminescent cadmium metal-organic framework for sensing of nitroaromatic explosives.
Authors of publication	Zhang, Chuanqi; Sun, Libo; Yan, Yan; Li, Jiyang; Song, Xiaowei; Liu, Yunling; Liang, Zhiqiang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	1
Pages of publication	230 - 236
a	19.524 ± 0.004 Å
b	10.049 ± 0.002 Å
c	25.359 ± 0.005 Å
α	90°
β	95.409 ± 0.004°
γ	90°
Cell volume	4953.2 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1487
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180034 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28.	7032808.cif
131069	2015-02-04	cif/ Updating files of 7032808 Original log message: Adding full bibliography for 7032808.cif.	7032808.cif
125445	2014-10-16	cif/ Adding structures of 7032808 via cif-deposit CGI script.	7032808.cif