Crystallography Open Database

Information card for entry 7712917

Preview

Coordinates	7712917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 N4
Calculated formula	C29 H22 N4
SMILES	n1cn(c2cc3c(cc2)c2c(cc(n4cnc5c4cccc5)cc2)C3(C)C)c2c1cccc2
Title of publication	A Water Stable and Highly Fluorescent Zn(II) Based Metal−Organic Frameworks for Fast Detection of Hg2+, CrVI and Antibiotics
Authors of publication	li, Chaoxiong; Sun, Xuancheng; Meng, Xiang Gao; Wang, Dunjia; Zheng, Chunyang
Journal of publication	Dalton Transactions
Year of publication	2023
a	19.5924 ± 0.0003 Å
b	7.6398 ± 0.0001 Å
c	14.9603 ± 0.0002 Å
α	90°
β	102.79 ± 0.001°
γ	90°
Cell volume	2183.73 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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