Crystallography Open Database

Information card for entry 7233022

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Coordinates	7233022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H22 N2 S6
Calculated formula	C34 H22 N2 S6
Title of publication	Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines
Authors of publication	Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	35
Pages of publication	5227
a	7.271 ± 0.003 Å
b	9.426 ± 0.009 Å
c	11.546 ± 0.006 Å
α	67.88 ± 0.05°
β	74.83 ± 0.04°
γ	79.16 ± 0.05°
Cell volume	704 ± 0.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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