Crystallography Open Database

Information card for entry 4110994

Preview

Coordinates	4110994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Ag Cl2 O8 S6
Calculated formula	C12 H24 Ag Cl2 O7.99 S6
Title of publication	Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II)
Authors of publication	Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	13827 - 13839
a	10.973 ± 0.002 Å
b	10.973 ± 0.002 Å
c	5.23 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	545.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.17
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.202
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
178880 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/09.	4110994.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110994.cif
60517	2012-06-15	cif/ Adding structures of 4110994 via cif-deposit CGI script.	4110994.cif