Information card for entry 7705121

Structure parameters

• Formula: C17 H19 N O4
• Calculated formula: C17 H19 N O4
• 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: 14.9191 ± 0.0002 Å
• b: 7.4925 ± 0.0001 Å
• c: 13.0292 ± 0.0002 Å
• α: 90°
• β: 94.062 ± 0.001°
• γ: 90°
• Cell volume: 1452.76 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No