Crystallography Open Database

Information card for entry 4115779

Preview

Coordinates	4115779.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pt2(EtCS2)4I
Formula	C12 H20 I Pt2 S8
Calculated formula	C12 H20 I Pt2 S8
Title of publication	Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I
Authors of publication	Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	11179 - 11192
a	17.417 ± 0.004 Å
b	8.639 ± 0.001 Å
c	18.525 ± 0.004 Å
α	90°
β	125.14 ± 0.01°
γ	90°
Cell volume	2279.4 ± 0.8 Å³
Cell temperature	252 K
Ambient diffraction temperature	252 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0534
Goodness-of-fit parameter for significantly intense reflections	1.961
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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