Crystallography Open Database

Information card for entry 7223774

Preview

Coordinates	7223774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H59 Ag4 N12 O0
Calculated formula	C35 H59 Ag4 N12
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	9.8861 ± 0.0011 Å
b	14.398 ± 0.0015 Å
c	15.8646 ± 0.0017 Å
α	91.955 ± 0.001°
β	73.911 ± 0.001°
γ	74.304 ± 0.001°
Cell volume	2074.2 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0317
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7223774.cif