Crystallography Open Database

Information card for entry 7011774

Preview

Coordinates	7011774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 Ni2 S20 Te
Calculated formula	C15 H9 Ni2 S20 Te
SMILES	[Te](C)(C)C.[Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.[Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2
Title of publication	Unique structural and physical properties of Ni(dmit)2 anion radical salts characterized by short Te???S contacts (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Authors of publication	Fujiwara, Masahiro; Kato, Reizo
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	19
Pages of publication	3763
a	7.473 ± 0.002 Å
b	36.11 ± 0.01 Å
c	6.482 ± 0.002 Å
α	92.49 ± 0.08°
β	110.4 ± 0.1°
γ	95.36 ± 0.04°
Cell volume	1626.9 ± 1.4 Å³
Cell temperature	273.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	1.378
Diffraction radiation wavelength	0.7107 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/7011774.html