Crystallography Open Database

Information card for entry 7230012

Preview

Coordinates	7230012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 Cd2 N8 O10 S2
Calculated formula	C44 H28 Cd2 N8 O10 S2
Title of publication	Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes
Authors of publication	Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	8
Pages of publication	4039
a	11.376 ± 0.002 Å
b	17.593 ± 0.003 Å
c	11.651 ± 0.002 Å
α	90°
β	114.192 ± 0.004°
γ	90°
Cell volume	2127 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
205530 (current)	2018-01-24	cif/ Adding structures of 7230007, 7230008, 7230009, 7230010, 7230011, 7230012 via cif-deposit CGI script.	7230012.cif