Crystallography Open Database

Information card for entry 1563977

Preview

Coordinates	1563977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H73 Cl N2 O20 Zn2
Calculated formula	C75 H58 Cl N O18 Zn2
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	13.856 ± 0.0006 Å
b	15.326 ± 0.0006 Å
c	19.886 ± 0.0007 Å
α	94.767 ± 0.003°
β	109.118 ± 0.003°
γ	107.516 ± 0.004°
Cell volume	3726.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.2738
Weighted residual factors for all reflections included in the refinement	0.302
Goodness-of-fit parameter for all reflections included in the refinement	1.205
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267290 (current)	2021-07-06	cif/ Adding structures of 1563974, 1563975, 1563976, 1563977 via cif-deposit CGI script.	1563977.cif