Crystallography Open Database

Information card for entry 4514372

Preview

Coordinates	4514372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 N2 O8 Zn
Calculated formula	C36 H34 N2 O8 Zn0.999
Title of publication	Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.
Authors of publication	Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	4
Pages of publication	3801 - 3809
a	10.875 ± 0.004 Å
b	9.029 ± 0.003 Å
c	33.42 ± 0.011 Å
α	90°
β	96.686 ± 0.011°
γ	90°
Cell volume	3259.2 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.2028
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
206109 (current)	2018-02-04	cif/ Updating files of 4514370, 4514371, 4514372 Original log message: Adding full bibliography for 4514370--4514372.cif.	4514372.cif
205643	2018-01-26	cif/ Adding structures of 4514372 via cif-deposit CGI script.	4514372.cif