Crystallography Open Database

Information card for entry 7227866

Preview

Coordinates	7227866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 Er3 O13 S2
Calculated formula	C10 H13 Er3 O12.99 S2
Title of publication	Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks
Authors of publication	Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	15
Pages of publication	2106
a	7.2126 ± 0.0007 Å
b	9.2072 ± 0.001 Å
c	14.3212 ± 0.0002 Å
α	77.79 ± 0.03°
β	76.84 ± 0.03°
γ	79.26 ± 0.03°
Cell volume	895.5 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1277
Residual factor for significantly intense reflections	0.1097
Weighted residual factors for significantly intense reflections	0.2693
Weighted residual factors for all reflections included in the refinement	0.289
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196386 (current)	2017-05-06	cif/ Updating files of 7227864, 7227865, 7227866, 7227867 Original log message: Adding full bibliography for 7227864--7227867.cif.	7227866.cif
194340	2017-03-18	cif/ Adding structures of 7227864, 7227865, 7227866, 7227867 via cif-deposit CGI script.	7227866.cif