Crystallography Open Database

Information card for entry 1563974

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Coordinates	1563974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H82 Cd N4 O18
Calculated formula	C82 H66 Cd N4 O18
Title of publication	Four coordination complexes based on two novel carboxylate-functionalized resorcin[4]arenes: Structures, fluorescence and sensing of nitrobenzene and dichromate anions
Authors of publication	Han, Xue; Lu, Bing-Bing; Yang, Jin; Wu, Hua; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	482
Pages of publication	579 - 587
a	13.113 ± 0.0005 Å
b	18.069 ± 0.0006 Å
c	17.239 ± 0.0007 Å
α	90°
β	106.021 ± 0.004°
γ	90°
Cell volume	3925.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.215
Weighted residual factors for all reflections included in the refinement	0.2476
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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