Information card for entry 7227217

Structure parameters

• Formula: C24 H15 As F6 O8 S8
• Calculated formula: C24 H15 As F6 O8 S8
• SMILES: C12=C(OCCO2)SC(S1)=C1Sc3c(S1)cc(c(c3)O)[O-].Oc1cc3c(SC(=C4SC5=C(S4)OCCO5)S3)cc1O.[As](F)(F)(F)([F-])(F)F
• 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: 7.2247 ± 0.0005 Å
• b: 10.4855 ± 0.0009 Å
• c: 10.8336 ± 0.0009 Å
• α: 64.61 ± 0.002°
• β: 85.799 ± 0.003°
• γ: 79.794 ± 0.003°
• Cell volume: 729.69 ± 0.1 ų
• Cell temperature: 270 K
• Ambient diffraction temperature: 270 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 all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No