Information card for entry 4325037

Structure parameters

• Formula: C24 H44 I Pt2 S8
• Calculated formula: C24 H29.3333 I Pt2 S8
• Title of publication: On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [PtII/III2(n-PenCS2)4I]\ιnfty
• Authors of publication: Minoru Mitsumi; Takami Yamashita; Yuko Aiga; Koshiro Toriumi; Hiroshi Kitagawa; Tadaoki Mitani; Mohamedally Kurmoo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4368 - 4377
• a: 14.2574 ± 0.0014 Å
• b: 14.2574 ± 0.0014 Å
• c: 25.8988 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5264.5 ± 0.8 ų
• Cell temperature: 270 ± 1 K
• Ambient diffraction temperature: 270 ± 1 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.3309
• Weighted residual factors for all reflections included in the refinement: 0.3442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.5633 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No