Crystallography Open Database

Information card for entry 7223772

Preview

Coordinates	7223772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 Ag5 N15
Calculated formula	C36 H56 Ag5 N15
Title of publication	Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours
Authors of publication	Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	46
Pages of publication	8843
a	11.243 ± 0.002 Å
b	18.664 ± 0.004 Å
c	21.085 ± 0.004 Å
α	90°
β	97.99 ± 0.03°
γ	90°
Cell volume	4381.5 ± 1.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
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	0.0287
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
173652 (current)	2016-01-07	cif/ Adding structures of 7223772, 7223773, 7223774, 7223775, 7223776, 7223777, 7223778 via cif-deposit CGI script.	7223772.cif