Crystallography Open Database

Information card for entry 7118334

Preview

Coordinates	7118334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H33 I N12 O7.5 S2 Zn2
Calculated formula	C44 H32 I N12 O7.5 S2 Zn2
Title of publication	I2-induced SC-SC transformation within two-dimensional Zn(ii)-triazole framework: an ideal detector of cyano-containing molecules.
Authors of publication	Wang, Ying; Yi, Jin-Min; Zhang, Meng-Yuan; Xu, Ping; Zhao, Xiao-Jun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	15
Pages of publication	3099 - 3102
a	8.94 ± 0.002 Å
b	15.624 ± 0.004 Å
c	18.684 ± 0.006 Å
α	65.286 ± 0.003°
β	84.924 ± 0.005°
γ	74.295 ± 0.004°
Cell volume	2281.3 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.1091
Weighted residual factors for significantly intense reflections	0.4248
Weighted residual factors for all reflections included in the refinement	0.4389
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
177658 (current)	2016-03-05	cif/ Updating files of 7118332, 7118333, 7118334 Original log message: Adding full bibliography for 7118332--7118334.cif.	7118334.cif
173527	2016-01-06	cif/ Adding structures of 7118332, 7118333, 7118334 via cif-deposit CGI script.	7118334.cif