Crystallography Open Database

Information card for entry 4302518

Preview

Coordinates	4302518.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ni(pmdt)SH](Et4N)
Formula	C15 H28 N2 Ni S3
Calculated formula	C15 H28 N2 Ni S3
SMILES	[Ni]12(SCc3[n]2c(ccc3)CS1)S.[N+](CC)(CC)(CC)CC
Title of publication	Cleavage of Ni-(μ2-S)-Ni Bridges in Dinuclear Nickel(II) Dithiolate Pincer Complexes and Related Reactions
Authors of publication	Deguang Huang; Liang Deng; Jibin Sun; R. H. Holm
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6159 - 6166
a	11.7986 ± 0.0011 Å
b	12.8736 ± 0.0013 Å
c	12.4747 ± 0.0012 Å
α	90°
β	92.029 ± 0.002°
γ	90°
Cell volume	1893.6 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4302518.html