Crystallography Open Database

Information card for entry 7239671

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Coordinates	7239671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H46 Cd3 N4 O18
Calculated formula	C78 H46 Cd3 N4 O18
Title of publication	A stable dual-emitting dye@LMOF luminescence probe for the rapid and visible detection of organophosphorous pesticides in aqueous media
Authors of publication	Zhang, Jie; Zhou, Wendi; Zhai, Lijun; Niu, Xiaoyan; Hu, Tuoping
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	6
Pages of publication	1050 - 1056
a	11.143 ± 0.006 Å
b	14.102 ± 0.007 Å
c	16.943 ± 0.009 Å
α	105.376 ± 0.008°
β	96.152 ± 0.009°
γ	105.879 ± 0.009°
Cell volume	2422 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	0.887
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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