Information card for entry 7031054

Structure parameters

• Formula: C45 H54 Li N O2 P2
• Calculated formula: C45 H54 Li N O2 P2
• Title of publication: Syntheses, structures and flexible coordination of sterically demanding di- and "tri"-lithiated methandiides.
• Authors of publication: Sindlinger, Christian P.; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14334 - 14345
• a: 9.9994 ± 0.0002 Å
• b: 20.3004 ± 0.0003 Å
• c: 20.0691 ± 0.0004 Å
• α: 90°
• β: 101.269 ± 0.002°
• γ: 90°
• Cell volume: 3995.32 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No