Crystallography Open Database

Information card for entry 7227219

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Coordinates	7227219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H15 Cl O12 S8
Calculated formula	C24 H15 Cl O12 S8
Title of publication	Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition
Authors of publication	Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	2
Pages of publication	367
a	7.2808 ± 0.0004 Å
b	9.8586 ± 0.0008 Å
c	10.866 ± 0.0008 Å
α	66.382 ± 0.002°
β	85.05 ± 0.003°
γ	78.872 ± 0.003°
Cell volume	701.14 ± 0.09 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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 all reflections	0.0487
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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