Crystallography Open Database

Information card for entry 7201325

7201324 << 7201325 >> 7201326

Preview

Coordinates	7201325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 Cl6 O10 S26
Calculated formula	C42 H24 Cl6 O10 S26
Title of publication	A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts
Authors of publication	Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	12
Pages of publication	2588
a	9.2614 ± 0.0004 Å
b	16.7417 ± 0.001 Å
c	19.954 ± 0.002 Å
α	87.376 ± 0.002°
β	85.775 ± 0.001°
γ	80.512 ± 0.001°
Cell volume	3041.5 ± 0.4 Å³
Cell temperature	294.1 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	0.0732
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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