Information card for entry 4325677

Structure parameters

• Formula: C30 H47 Mo12 N12 O40 P
• Calculated formula: C30 H30 Mo12 N12 O40 P
• Title of publication: Hydrogen-Bonded Assemblies of Two-Electron Reduced Mixed-Valence [XMo12O40] (X = P and Si) withp-Phenylenediamines
• Authors of publication: Tomoyuki Akutagawa; Fumito Kudo; Ryo Tsunashima; Shin-ichiro Noro; Leroy Cronin; Takayoshi Nakamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6711 - 6718
• a: 23.214 ± 0.004 Å
• b: 23.214 ± 0.004 Å
• c: 10.184 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4752.8 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No