Crystallography Open Database

Information card for entry 7048447

Preview

Coordinates	7048447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H50 N14 O15 Zn2
Calculated formula	C72 H47.882 N14 O15 Zn2
Title of publication	Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.
Authors of publication	Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1900 - 1905
a	23.937 ± 0.003 Å
b	18.786 ± 0.002 Å
c	15.8863 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	7143.8 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1923
Weighted residual factors for all reflections included in the refinement	0.2091
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
224007 (current)	2019-11-07	cif/ Updating files of 7048445, 7048446, 7048447, 7048448, 7048449, 7048450 Original log message: Adding full bibliography for 7048445--7048450.cif.	7048447.cif
212936	2019-01-11	cif/ Adding structures of 7048445, 7048446, 7048447, 7048448, 7048449, 7048450 via cif-deposit CGI script.	7048447.cif