Crystallography Open Database

Information card for entry 4116603

Preview

Coordinates	4116603.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ni(ptdt)2 296K
Formula	C18 H12 Ni S16
Calculated formula	C15 H10 Ni0.25 S16
Title of publication	Origin of the High Electrical Conductivity of Neutral [Ni(ptdt)2] (ptdt2-= propylenedithiotetrathiafulvalenedithiolate): A Route to Neutral Molecular Metal
Authors of publication	Akiko Kobayashi; Hisashi Tanaka; Mieko Kumasaki; Hajime Torii; Bakhyt Narymbetov; Takahumi Adachi
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	10763 - 10771
a	10.096 ± 0.004 Å
b	11.802 ± 0.004 Å
c	12.42 ± 0.01 Å
α	90°
β	108.74 ± 0.06°
γ	90°
Cell volume	1401.4 ± 1.4 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.1498
Goodness-of-fit parameter for significantly intense reflections	0.14
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/4116603.html