Crystallography Open Database

Information card for entry 7210165

Preview

Coordinates	7210165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H45 Cd4 N6 O18 S2
Calculated formula	C57 H45 Cd4 N6 O18 S2
Title of publication	3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties
Authors of publication	Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	24
Pages of publication	4930
a	24.3069 ± 0.0017 Å
b	9.3535 ± 0.0006 Å
c	25.2396 ± 0.0018 Å
α	90°
β	101.62 ± 0.001°
γ	90°
Cell volume	5620.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0611
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
180432 (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 7/21/01.	7210165.cif
87048	2013-07-13	cif/ Adding structures of 7210164, 7210165 via cif-deposit CGI script.	7210165.cif