Crystallography Open Database

Information card for entry 4333465

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Coordinates	4333465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H50 Fe O7 P2 S2
Calculated formula	C58 H50 Fe O7 P2 S2
Title of publication	Novel bis(ethylenedithio)tetrathiafulvalene-based organic conductor with 1,1'-ferrocenedisulfonate.
Authors of publication	Akutsu, Hiroki; Ohnishi, Ryo; Yamada, Jun-ich; Nakatsuji, Shin'ichi; Turner, Scott S.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8472 - 8474
a	10.6112 ± 0.0004 Å
b	15.3656 ± 0.0005 Å
c	16.6603 ± 0.0012 Å
α	67.156 ± 0.002°
β	81.1619 ± 0.0006°
γ	83.4457 ± 0.0008°
Cell volume	2469.2 ± 0.2 Å³
Cell temperature	293.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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