Crystallography Open Database

Information card for entry 7229091

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Coordinates	7229091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H136 N14 O82 S16 Sm10
Calculated formula	C28 H112 N14 O82 S16 Sm10
Title of publication	A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels
Authors of publication	Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan
Journal of publication	CrystEngComm
Year of publication	2017
a	16.0748 ± 0.0004 Å
b	16.0748 ± 0.0004 Å
c	22.7327 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5874.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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