Crystallography Open Database

Information card for entry 7112147

Preview

Coordinates	7112147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.63 H63.13 Ag2 Cd3 N3.88 O1.88 S8
Calculated formula	C60 H50 Ag2 Cd3 N2 S8
Title of publication	A semiconducting microporous framework of Cd6Ag4(SPh)16 clusters interlinked using rigid and conjugated bipyridines
Authors of publication	Chao Xu; Niklas Hedin; Hua-Tian Shi; Qian-Feng Zhang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3710
a	18.3203 ± 0.0002 Å
b	18.3203 ± 0.0002 Å
c	45.4431 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	15252.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112147.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112147.cif
107447	2014-03-19	cif/ Adding structures of 7112146, 7112147 via cif-deposit CGI script.	7112147.cif