Crystallography Open Database

Information card for entry 4116094

Preview

Coordinates	4116094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H10 Ag0.5 Cl0.5 N3 O2
Calculated formula	C7 H10 Ag0.5 Cl0.5 N3 O2
Title of publication	Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced Transformation of Supramolecular Structure in the Crystalline State
Authors of publication	Kil Sik Min; Myunghyun Paik Suh
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	6834 - 6840
a	11.05 ± 0.003 Å
b	11.414 ± 0.003 Å
c	14.79 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1865.4 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116094.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116094.cif
70671	2013-01-03	cif/ Adding structures of 4116094 via cif-deposit CGI script.	4116094.cif