Information card for entry 4101560

Structure parameters

• Formula: C17 H14 P Pd2 S20
• Calculated formula: C17 H14 P Pd2 S20
• SMILES: C12S[Pd]3(SC4=C(S3)SC(=S)S4)SC=2SC(=S)S1.[Pd]12(SC3=C(S1)SC(=S)S3)SC1=C(S2)SC(=S)S1.C[P+](C)(C)CC
• Title of publication: Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.
• Authors of publication: Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 31
• Pages of publication: 10016 - 10017
• a: 6.3962 ± 0.0003 Å
• b: 36.6911 ± 0.0005 Å
• c: 7.929 ± 0.0003 Å
• α: 90°
• β: 114.302 ± 0.002°
• γ: 90°
• Cell volume: 1695.92 ± 0.1 ų
• Cell temperature: 297 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No