Crystallography Open Database

Information card for entry 7219769

7219768 << 7219769 >> 7219770

Preview

Coordinates	7219769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Cd F6 N8 O2 Si
Calculated formula	C18 H24 Cd F6 N8 O2 Si
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	10.3992 ± 0.0009 Å
b	21.9601 ± 0.0018 Å
c	10.45 ± 0.0009 Å
α	90°
β	91.022 ± 0.002°
γ	90°
Cell volume	2386.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.045
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
180528 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/97.	7219769.cif
173742	2016-01-09	cif/ Updating files of 7219769, 7219770, 7219771, 7219772, 7219773, 7219774 Original log message: Adding full bibliography for 7219769--7219774.cif.	7219769.cif
133740	2015-03-10	cif/ Adding structures of 7219769, 7219770, 7219771, 7219772, 7219773, 7219774 via cif-deposit CGI script.	7219769.cif