Information card for entry 7705122

Structure parameters

• Formula: C22 H26 N2 O6
• Calculated formula: C22 H26 N2 O6
• 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: 13.01 ± 0.0003 Å
• b: 16.0496 ± 0.0004 Å
• c: 9.7656 ± 0.0002 Å
• α: 90°
• β: 104.61 ± 0.003°
• γ: 90°
• Cell volume: 1973.17 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No