Information card for entry 7044064

Structure parameters

• Formula: C22.5 H30 Mo9 N3 O32.5 S
• Calculated formula: C22.5 H30 Mo9 N3 O32.5 S
• Title of publication: Inter-cluster Distance Dependence of Electrical Properties in Single Crystals of a Mixed-valence Polyoxometalate
• Authors of publication: Tsunashima, Ryo; Nakamura, Ippei; Oue, Rika; Koga, Seiya; Oki, Hirofumi; Nakamura, Takayoshi; Noro, Shin-ichiro; Akutagawa, Tomoyuki
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 32.146 Å
• b: 21.846 Å
• c: 15.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10534.6 ų
• Cell temperature: 172 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1726
• Residual factor for significantly intense reflections: 0.1368
• Weighted residual factors for significantly intense reflections: 0.3015
• Weighted residual factors for all reflections included in the refinement: 0.333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.419
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No