Information card for entry 7001124

Structure parameters

• Formula: C66 H112 B2 Li2 O8 P2 Si2
• Calculated formula: C58 H96 B2 Li2 O6 P2 Si2
• Title of publication: Synthesis and structural characterisation of alkali metal complexes of heteroatom-stabilised 1,4- and 1,6-dicarbanions
• Authors of publication: Izod, Keith; Bowman, Lyndsey J.; Wills, Corinne; Clegg, William; Harrington, Ross W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3340 - 3347
• a: 10.3298 ± 0.0012 Å
• b: 13.2276 ± 0.0013 Å
• c: 15.08 ± 0.0015 Å
• α: 106.405 ± 0.008°
• β: 108.263 ± 0.007°
• γ: 99.787 ± 0.009°
• Cell volume: 1799.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No