Information card for entry 7227221

Structure parameters

• Formula: C24 H15 F6 O8 P S8
• Calculated formula: C24 H15 F6 O8 P S8
• SMILES: C12=C(OCCO2)SC(S1)=C1Sc2c(S1)cc(c(O)c2)[O-].Oc1c(O)cc2c(SC(S2)=C2SC3=C(S2)OCCO3)c1.[P](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: 7.2482 ± 0.0002 Å
• b: 10.268 ± 0.0003 Å
• c: 10.8587 ± 0.0007 Å
• α: 65.3729 ± 0.001°
• β: 85.6015 ± 0.0012°
• γ: 79.458 ± 0.0012°
• Cell volume: 722.24 ± 0.06 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: 0.0555
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No