Information card for entry 7705124

Structure parameters

• Formula: C44 H40 Li4 N4 O12.5
• Calculated formula: C44 H40 Li4 N4 O12.5
• Title of publication: Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.
• Authors of publication: Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 12009 - 12017
• a: 34.5163 ± 0.0004 Å
• b: 32.031 ± 0.0003 Å
• c: 12.8356 ± 0.0002 Å
• α: 90°
• β: 96.403 ± 0.001°
• γ: 90°
• Cell volume: 14102.4 ± 0.3 ų
• Cell temperature: 100.01 ± 0.15 K
• Ambient diffraction temperature: 100.01 ± 0.15 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: 0.1128
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2501
• Weighted residual factors for all reflections included in the refinement: 0.2707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No