Crystallography Open Database

Information card for entry 7029255

Preview

Coordinates	7029255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H100 Au4 N10 Ni2 O7 P4 S4
Calculated formula	C96 H100 Au4 N10 Ni2 O7 P4 S4
SMILES	N#CC.N#CC.N#CC.O.O.[Ni]123[S]([Au][P](c4ccccc4)(c4ccccc4)c4ccccc4)CC(=O)N1CCN2C(=O)C[S]3[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1
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	13.465 ± 0.002 Å
b	16.178 ± 0.002 Å
c	25.137 ± 0.004 Å
α	75.987 ± 0.002°
β	78.277 ± 0.002°
γ	71.395 ± 0.002°
Cell volume	4987.7 ± 1.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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.	7029255.cif
105558	2014-03-12	cif/ Adding structures of 7029251, 7029252, 7029253, 7029254, 7029255 via cif-deposit CGI script.	7029255.cif