Crystallography Open Database

Information card for entry 4347151

Preview

Coordinates	4347151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.5 H56 Er4 N2.5 O28 S12
Calculated formula	C66 H34 Er4 N2 O26 S12
Title of publication	Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.
Authors of publication	Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5139 - 5151
a	13.1603 ± 0.0002 Å
b	33.4072 ± 0.0007 Å
c	42.253 ± 0.0007 Å
α	90°
β	98.111 ± 0.002°
γ	90°
Cell volume	18390.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0609
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
232190 (current)	2019-11-23	cif/ Adding structures of 4347151 via cif-deposit CGI script.	4347151.cif