Crystallography Open Database

Information card for entry 4501411

Preview

Coordinates	4501411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 Cd Cl2 N6 O2 S2
Calculated formula	C29 H24 Cd Cl2 N6 O2 S2
Title of publication	Cd(II)-Schiff-Base Metal‒Organic Frameworks: Synthesis, Structure, and Reversible Adsorption and Separation of Volatile Chlorocarbons
Authors of publication	Xiao, Jing; Chen, Cheng-Xia; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5696
a	23.712 ± 0.005 Å
b	12.822 ± 0.003 Å
c	10.888 ± 0.002 Å
α	90°
β	112.132 ± 0.002°
γ	90°
Cell volume	3066.4 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0483
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179545 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/14.	4501411.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501411.cif
34893	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501411 via cif-deposit CGI script.	4501411.cif