Crystallography Open Database

Information card for entry 7029254

Preview

Coordinates	7029254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H56 Au2 N6 Ni2 O4 S4
Calculated formula	C28 H56 Au2 N6 Ni2 O4 S4
SMILES	C(C)[N+](CC)(CC)CC.[Au]([S]1CC(=O)N2CCN3C(=O)C[S]4[Ni]123)[S]1CC(=O)N2CCN3C(=O)C[S]([Au]4)[Ni]123.C(C)[N+](CC)(CC)CC
Title of publication	Versatile N2S2 nickel-dithiolates as mono- and bridging bidentate, S-donor ligands to gold(I).
Authors of publication	Pinder, Tiffany A.; Montalvo, Steven K.; Lunsford, Allen M.; Hsieh, Chung-Hung; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	1
Pages of publication	138 - 144
a	8.308 ± 0.002 Å
b	24.096 ± 0.006 Å
c	10.191 ± 0.003 Å
α	90°
β	110.431 ± 0.003°
γ	90°
Cell volume	1911.8 ± 0.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
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	0.0418
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0545
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179998 (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 7/02/92.	7029254.cif
105558	2014-03-12	cif/ Adding structures of 7029251, 7029252, 7029253, 7029254, 7029255 via cif-deposit CGI script.	7029254.cif