Crystallography Open Database

Information card for entry 7215113

Preview

Coordinates	7215113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H50 Cd3 N4 O19
Calculated formula	C64 H50 Cd3 N4 O19
Title of publication	Highly selective acetone fluorescent sensors based on microporous Cd(ii) metal‒organic frameworks
Authors of publication	Yi, Fei-Yan; Yang, Weiting; Sun, Zhong-Ming
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	43
Pages of publication	23201
a	29.766 ± 0.006 Å
b	20.293 ± 0.005 Å
c	16.483 ± 0.004 Å
α	90°
β	111.107 ± 0.004°
γ	90°
Cell volume	9288 ± 4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1379
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2144
Weighted residual factors for all reflections included in the refinement	0.2603
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
180482 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/51.	7215113.cif
111082	2014-04-20	cif/ Adding structures of 7215112, 7215113 via cif-deposit CGI script.	7215113.cif