Crystallography Open Database

Information card for entry 7120040

7120039 << 7120040 >> 7120041

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Coordinates	7120040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Cl3 N3 Zn
Calculated formula	C19 H15.6667 Cl3 N3 Zn
SMILES	[Zn](Cl)(Cl)(Cl)[n]1cc(/C=C/c2cc[nH+]cc2)cc(c1)/C=C/c1ccncc1
Title of publication	A crystalline zinc(II) complex showing hollow hexagonal tubular morphology evolution, selective dye absorption and unique response to UV irradiation
Authors of publication	Shi, Yi-Xiang; Li, Wu-Xiang; Chen, Huan-Huan; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping
Journal of publication	Chem. Commun.
Year of publication	2017
a	13.1507 ± 0.0005 Å
b	16.4126 ± 0.0008 Å
c	16.7567 ± 0.0008 Å
α	114.391 ± 0.005°
β	108.32 ± 0.004°
γ	99.463 ± 0.004°
Cell volume	2940.4 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2632
Weighted residual factors for all reflections included in the refinement	0.2792
Goodness-of-fit parameter for all reflections included in the refinement	1.581
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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