Information card for entry 7103111

Structure parameters

• Formula: C55 H116.5 Cl6.5 Li13 N6 O13.75 P6
• Calculated formula: C55 H116.5 Cl6.5 Li13 N6 O13.75 P6
• Title of publication: Synthesis and structure of the Li13 cage [[[O-P(mu-NtBu)]2Li2]3(LiCl)6Li(Cl/OnBu)0.5(thf)7], containing a [O-P(mu-NtBu)]2(2-) dianion.
• Authors of publication: Chan, Wesley Ting Kwok; Eisler, Dana; García, Felipe; Gonzalez-Calera, Silvia; McPartlin, Mary; Morey, James V; Mulvey, Robert E; Singh, Sanjay; Steiner, Alexander; Wright, Dominic S
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2251 - 2253
• a: 19.906 ± 0.004 Å
• b: 21.982 ± 0.004 Å
• c: 39.23 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17166 ± 6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No