Crystallography Open Database

Information card for entry 7215623

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Coordinates	7215623.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(C2H5)4N] Eu [C12H8N2]2 [C28H20S4O16] 5H2O
Formula	C60 H66 Eu N5 O21 S4
Calculated formula	C60 H32 Eu N5 O21 S4
Title of publication	3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene
Authors of publication	Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2282
a	19.1147 ± 0.0004 Å
b	19.1147 ± 0.0004 Å
c	21.1495 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7727.4 ± 0.3 Å³
Cell temperature	184 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	132
Hermann-Mauguin space group symbol	P 42/m c m
Hall space group symbol	-P 4c 2c
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0926
Weighted residual factors for significantly intense reflections	0.3401
Weighted residual factors for all reflections included in the refinement	0.3644
Goodness-of-fit parameter for all reflections included in the refinement	1.551
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7201312
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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