Crystallography Open Database

Information card for entry 7215848

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Coordinates	7215848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H23 La N O9 S3
Calculated formula	C12 H19 La N 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	9.1258 ± 0.0003 Å
b	11.138 ± 0.0004 Å
c	11.3262 ± 0.0004 Å
α	77.317 ± 0.003°
β	68.681 ± 0.004°
γ	79.25 ± 0.003°
Cell volume	1039.05 ± 0.07 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	0.0279
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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