Crystallography Open Database

Information card for entry 4518516

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Coordinates	4518516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H28 N3 O12 Zn3
Calculated formula	C48 H28 N3 O12 Zn3
Title of publication	Tetraphenylpyrazine-Based Luminescent Metal-Organic Framework for Chemical Sensing of Carcinoids Biomarkers.
Authors of publication	Ying, Xu-Dong; Chen, Jian-Xiang; Tu, Dan-Yu; Zhuang, Yi-Cao; Wu, Di; Shen, Liang
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	5
Pages of publication	6421 - 6429
a	28.3137 ± 0.0013 Å
b	20.2338 ± 0.0009 Å
c	18.0946 ± 0.0008 Å
α	90°
β	100.088 ± 0.001°
γ	90°
Cell volume	10206 ± 0.8 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
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	0.0669
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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