Information card for entry 4083988

Structure parameters

• Formula: C86 H103 Al2 Li9 N12
• Calculated formula: C86 H103 Al2 Li9 N12
• Title of publication: Hydride Encapsulation by a Molecular Main-Group-Metal Cluster: Single-Crystal Neutron Diffraction Structure of [{Ph(2-C5H4N)N}6HLi8]+
• Authors of publication: Boss, Sally R.; Cole, Jacqueline M.; Haigh, Robert; Snaith, Ronald; Wheatley, Andrew E. H.; McIntyre, Garry J.; Raithby, Paul R.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4527
• a: 19.546 ± 0.004 Å
• b: 16.098 ± 0.001 Å
• c: 26.168 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8234 ± 3 ų
• Cell temperature: 180 ± 0.5 K
• Ambient diffraction temperature: 180 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2139
• Residual factor for significantly intense reflections: 0.1723
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 2.122
• Diffraction radiation type: neutrons(polychromatic)
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No