Crystallography Open Database

Information card for entry 7215849

Preview

Coordinates	7215849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H23 N Nd O9 S3
Calculated formula	C12 H19 N Nd O9 S3
Title of publication	Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid
Authors of publication	Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	6963
a	9.14 ± 0.0005 Å
b	11.1538 ± 0.0003 Å
c	11.2716 ± 0.0006 Å
α	77.261 ± 0.003°
β	68.453 ± 0.005°
γ	78.843 ± 0.003°
Cell volume	1034.43 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
180489 (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 7/21/58.	7215849.cif
121581	2014-08-08	cif/ Updating files of 7215848, 7215849, 7215850, 7215851, 7215852 Original log message: Adding full bibliography for 7215848--7215852.cif.	7215849.cif
113345	2014-05-11	cif/ Adding structures of 7215848, 7215849, 7215850, 7215851, 7215852 via cif-deposit CGI script.	7215849.cif