Crystallography Open Database

Information card for entry 7028885

Preview

Coordinates	7028885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H76 Cl4 Cu4 N4 S4
Calculated formula	C44 H76 Cl4 Cu4 N4 S4
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	10.315 ± 0.002 Å
b	24.927 ± 0.007 Å
c	11.256 ± 0.002 Å
α	90°
β	104.654 ± 0.01°
γ	90°
Cell volume	2800 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7028885.cif
105455	2014-03-12	cif/ Adding structures of 7028885, 7028886, 7028887, 7028888, 7028889, 7028890, 7028891, 7028892 via cif-deposit CGI script.	7028885.cif