Crystallography Open Database

Information card for entry 4512259

Preview

Coordinates	4512259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 Ag2 I3 N2
Calculated formula	C7 H4 Ag2 I3 N
Title of publication	Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes
Authors of publication	Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6337
a	10.4808 ± 0.0007 Å
b	12.8829 ± 0.0012 Å
c	20.7792 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2805.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	66
Hermann-Mauguin space group symbol	C c c m
Hall space group symbol	-C 2 2c
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.214
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
179669 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/22.	4512259.cif
131338	2015-02-07	cif/ Updating files of 4512259, 4512260, 4512261, 4512262, 4512263, 4512264, 4512265 Original log message: Adding full bibliography for 4512259--4512265.cif.	4512259.cif
126606	2014-11-07	cif/ Adding structures of 4512259, 4512260, 4512261, 4512262, 4512263, 4512264, 4512265 via cif-deposit CGI script.	4512259.cif