Crystallography Open Database

Information card for entry 7110032

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Coordinates	7110032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H77 N6 O19 Tb
Calculated formula	C25 H20 N 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	25.6621 ± 0.0002 Å
b	16.1587 ± 0.0002 Å
c	26.5745 ± 0.0002 Å
α	90°
β	113.21 ± 0.002°
γ	90°
Cell volume	10127.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1006
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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