Crystallography Open Database

Information card for entry 4340687

Preview

Coordinates	4340687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H64 Br2 Cd N4 O10 S2
Calculated formula	C74 H64 Br2 Cd N4 O10 S2
Title of publication	Cd(II)-MOF: Adsorption, Separation, and Guest-Dependent Luminescence for Monohalobenzenes.
Authors of publication	Wang, Lei; Li, Yan-An; Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	9087 - 9094
a	28.6004 ± 0.001 Å
b	13.4741 ± 0.0003 Å
c	18.3173 ± 0.0008 Å
α	90°
β	107.463 ± 0.004°
γ	90°
Cell volume	6733.5 ± 0.4 Å³
Cell temperature	119.99 ± 0.11 K
Ambient diffraction temperature	119.99 ± 0.11 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	0.1038
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2274
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340687.cif
122941	2014-09-06	cif/ Updating files of 4340685, 4340686, 4340687, 4340688, 4340689 Original log message: Adding full bibliography for 4340685--4340689.cif.	4340687.cif
122004	2014-08-18	cif/ Adding structures of 4340687 via cif-deposit CGI script.	4340687.cif