Information card for entry 7031059

Structure parameters

• Formula: C112 H122 Li6 N4 P4
• Calculated formula: C112 H122 Li6 N4 P4
• 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: 21.829 ± 0.004 Å
• b: 19.195 ± 0.004 Å
• c: 24.702 ± 0.005 Å
• α: 90°
• β: 113.68 ± 0.03°
• γ: 90°
• Cell volume: 9479 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.2421
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No