Crystallography Open Database

Information card for entry 7028889

Preview

Coordinates	7028889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H160 Ag8 N8 S8
Calculated formula	C98 H160 Ag8 N8 S8
Title of publication	N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.
Authors of publication	Najafabadi, Bahareh Khalili; Corrigan, John F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2104 - 2111
a	9.99 ± 0.003 Å
b	12.648 ± 0.004 Å
c	23.429 ± 0.009 Å
α	78.597 ± 0.013°
β	78.069 ± 0.009°
γ	80.553 ± 0.012°
Cell volume	2815.7 ± 1.6 Å³
Cell temperature	111 ± 2 K
Ambient diffraction temperature	111 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028889.cif
105455	2014-03-12	cif/ Adding structures of 7028885, 7028886, 7028887, 7028888, 7028889, 7028890, 7028891, 7028892 via cif-deposit CGI script.	7028889.cif