Information card for entry 7007886

Structure parameters

• Formula: C95 H118.5 Al2 Li9 N12
• Calculated formula: C95 H118.5 Al2 Li9 N12
• Title of publication: Encapsulation of hydride by molecular main group metal clusters: manipulating the source and coordination sphere of the interstitial ion.
• Authors of publication: Boss, Sally R.; Coles, Martyn P.; Eyre-Brook, Vicki; García, Felipe; Haigh, Robert; Hitchcock, Peter B.; McPartlin, Mary; Morey, James V.; Naka, Hiroshi; Raithby, Paul R.; Sparkes, Hazel A.; Tate, Christopher W.; Wheatley, Andrew E. H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 47
• Pages of publication: 5574 - 5582
• a: 15.288 ± 0.003 Å
• b: 17.861 ± 0.004 Å
• c: 18.576 ± 0.004 Å
• α: 89.91 ± 0.03°
• β: 79.01 ± 0.03°
• γ: 71.23 ± 0.03°
• Cell volume: 4705 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No