Information card for entry 4338830

Structure parameters

• Chemical name: Dodeca-μ-oxido-hexa(3-methylpyridine)-octahedro-hexarenium(12 Re-Re)(1+) -acetonitrile (1/2) tetraphenylborate
• Formula: C64 H68 B N8 O12 Re6
• Calculated formula: C64 H68 B N8 O12 Re6
• Title of publication: First oxido-bridged cubo-octahedral hexanuclear rhenium clusters.
• Authors of publication: Krawczyk, Marta S.; Krawczyk, Monika K.; Siczek, Miłosz; Lis, Tadeusz
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6578 - 6584
• a: 10.475 ± 0.003 Å
• b: 18.116 ± 0.006 Å
• c: 18.23 ± 0.006 Å
• α: 77.45 ± 0.03°
• β: 78.09 ± 0.03°
• γ: 79.7 ± 0.03°
• Cell volume: 3271.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No