Crystallography Open Database

Information card for entry 7248268

Preview

Coordinates	7248268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 N O4
Calculated formula	C17 H11 N O4
SMILES	N(CC#C)(c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
Title of publication	Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol
Authors of publication	Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	9
Pages of publication	1319 - 1327
a	6.9783 ± 0.0011 Å
b	7.2131 ± 0.0011 Å
c	16.191 ± 0.003 Å
α	89.097 ± 0.002°
β	87.703 ± 0.002°
γ	67.944 ± 0.002°
Cell volume	754.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.2046
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290050 (current)	2024-03-04	cif/ Adding structures of 7248268, 7248269 via cif-deposit CGI script.	7248268.cif