Crystallography Open Database

Information card for entry 7006886

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Coordinates	7006886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 O19 Sm2
Calculated formula	C12 H16 O19 Sm2
Title of publication	A 3D porous lanthanide-fumarate framework with water hexamer occupied cavities, exhibiting a reversible dehydration and rehydration procedure.
Authors of publication	Zhu, Wen-Hua; Wang, Zhe-Ming; Gao, Song
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	6
Pages of publication	765 - 768
a	9.5178 ± 0.0002 Å
b	14.6999 ± 0.0003 Å
c	14.874 ± 0.0003 Å
α	90°
β	91.2425 ± 0.0009°
γ	90°
Cell volume	2080.54 ± 0.07 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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