Crystallography Open Database

Information card for entry 4514392

Preview

Coordinates	4514392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H96 Cd8 Cl0 N40 O48
Calculated formula	C136 Cd8 N40 O48
Title of publication	Microporous Luminescent Metal-Organic Framework for a Sensitive and Selective Fluorescence Sensing of Toxic Mycotoxin in Moldy Sugarcane.
Authors of publication	Tian, Dan; Liu, Xiao-Jing; Feng, Rui; Xu, Jia-Li; Xu, Jian; Chen, Rong-Ying; Huang, Ling; Bu, Xian-He
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	6
Pages of publication	5618 - 5625
a	21.952 ± 0.004 Å
b	21.691 ± 0.004 Å
c	31.674 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	15082 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.153
Residual factor for significantly intense reflections	0.1383
Weighted residual factors for significantly intense reflections	0.3751
Weighted residual factors for all reflections included in the refinement	0.3841
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
227495 (current)	2019-11-12	cif/ Updating files of 4514392 Original log message: Adding full bibliography for 4514392.cif.	4514392.cif
206313	2018-02-09	cif/ Adding structures of 4514392 via cif-deposit CGI script.	4514392.cif