Information card for entry 7208626

Structure parameters

• Common name: (perylene)6Mo6Br14
• Chemical name: Molybdate(2-), dodeca-m-bromodibromohexa-, octahedro , salt with perylene, compd. (1:6)
• Formula: C120 H72 Br14 Mo6
• Calculated formula: C120 H72 Br14 Mo6
• Title of publication: Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)
• Authors of publication: Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 37
• Pages of publication: 19774
• a: 12.688 ± 0.0008 Å
• b: 13.9857 ± 0.0009 Å
• c: 14.2334 ± 0.0009 Å
• α: 89.64 ± 0.001°
• β: 83.243 ± 0.001°
• γ: 85.746 ± 0.001°
• Cell volume: 2501.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No