Crystallography Open Database

Information card for entry 7029251

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Structure parameters

Formula	C10 H22 Au Cl N2 Ni O S2
Calculated formula	C10 H22 Au Cl N2 Ni O S2
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	8.3017 ± 0.0007 Å
b	8.604 ± 0.0008 Å
c	21.8658 ± 0.0017 Å
α	90°
β	95.316 ± 0.005°
γ	90°
Cell volume	1555.1 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7029251.cif
179998	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.	7029251.cif
105558	2014-03-12	cif/ Adding structures of 7029251, 7029252, 7029253, 7029254, 7029255 via cif-deposit CGI script.	7029251.cif