Crystallography Open Database

Information card for entry 7226464

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Coordinates	7226464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H64 Cd3 N6 O24
Calculated formula	C60 H64 Cd3 N6 O24
Title of publication	Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions
Authors of publication	Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	40
Pages of publication	7787
a	29.22 ± 0.002 Å
b	29.22 ± 0.002 Å
c	9.3882 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8015.7 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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