Information card for entry 7004439

Structure parameters

• Formula: C31 H75 F12 O P5 Re6 Sb2 Se8
• Calculated formula: C31 H75 F12 O P5 Re6 Sb2 Se8
• Title of publication: Cluster carbonyls of the [Re6(μ3-Se)8]2+ core: synthesis, structural characterization, and computational analysis
• Authors of publication: Orto, Peter J.; Nichol, Gary S.; Okumura, Noriko; Evans, Dennis H.; Arratia-Pérez, Ramiro; Ramirez-Tagle, Rodrigo; Wang, Ruiyao; Zheng, Zhiping
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 32
• Pages of publication: 4247 - 4253
• a: 13.5933 ± 0.0013 Å
• b: 13.7409 ± 0.0013 Å
• c: 18.5607 ± 0.0017 Å
• α: 90°
• β: 103.052 ± 0.003°
• γ: 90°
• Cell volume: 3377.3 ± 0.6 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No