Crystallography Open Database

Information card for entry 7223776

Preview

Coordinates	7223776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H99 Ag7 N21 O0.5
Calculated formula	C56 H98 Ag7 N21 O0.5
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	25.5782 ± 0.0015 Å
b	25.6108 ± 0.0015 Å
c	11.5927 ± 0.0007 Å
α	90 ± 0.001°
β	90 ± 0.001°
γ	90 ± 0.001°
Cell volume	7594.1 ± 0.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	7223776.cif