Crystallography Open Database

Information card for entry 1562959

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Coordinates	1562959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H20 N O13 Pr S
Calculated formula	C6 H8 N O13 Pr S
Title of publication	N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies
Authors of publication	Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	192
Pages of publication	284 - 288
a	11.5754 ± 0.0002 Å
b	16.1852 ± 0.0003 Å
c	8.6096 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1613.01 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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