Crystallography Open Database

Information card for entry 7110035

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Coordinates	7110035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H69 O13 Tb
Calculated formula	C24 H19 O8 Tb
Title of publication	A highly stable dynamic fluorescent metal-organic framework for selective sensing of nitroaromatic explosives
Authors of publication	Yun-Nan Gong; Long Jiang; Tong-Bu Lu
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	11113
a	25.9498 ± 0.0002 Å
b	15.6298 ± 0.0002 Å
c	26.8239 ± 0.0002 Å
α	90°
β	114.532 ± 0.002°
γ	90°
Cell volume	9897.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0972
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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