Crystallography Open Database

Information card for entry 7029253

Preview

Coordinates	7029253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Au Cl N2 Ni O P S2
Calculated formula	C28 H37 Au Cl N2 Ni O P S2
SMILES	[Ni]123[S](CC[N]43CCC[N]1(CCS2)CCC4)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].O
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	16.697 ± 0.003 Å
b	11.0833 ± 0.0019 Å
c	16.059 ± 0.003 Å
α	90°
β	102.978 ± 0.002°
γ	90°
Cell volume	2895.9 ± 0.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	9
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	0.0244
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	7029253.cif
105558	2014-03-12	cif/ Adding structures of 7029251, 7029252, 7029253, 7029254, 7029255 via cif-deposit CGI script.	7029253.cif