Crystallography Open Database

Information card for entry 7237142

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Coordinates	7237142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 N15 O5 Zn2
Calculated formula	C54 H42 N15 O5 Zn2
Title of publication	Dual-emission MOF⊃dye sensor for ratiometric fluorescence recognition of RDX and detection of a broad class of nitro-compounds
Authors of publication	Fu, Hong-Ru; Yan, Li-Bing; Wu, Nai-Teng; Ma, Lu-Fang; Zang, Shuang-Quan
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	19
Pages of publication	9183
a	28.6596 ± 0.0007 Å
b	27.8917 ± 0.0008 Å
c	9.55 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7633.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1015
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2605
Weighted residual factors for all reflections included in the refinement	0.2745
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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