Crystallography Open Database

Information card for entry 7211362

Preview

Coordinates	7211362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 Cl2 N5 S Zn
Calculated formula	C14 H13 Cl2 N5 S Zn
Title of publication	Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles
Authors of publication	Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	48
Pages of publication	10451
a	9.1365 ± 0.001 Å
b	13.0198 ± 0.0015 Å
c	13.8696 ± 0.0016 Å
α	90°
β	92.449 ± 0.002°
γ	90°
Cell volume	1648.4 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
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	0.0444
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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