Information card for entry 7705123

Structure parameters

• Formula: C25 H32 Cu N2 O7
• Calculated formula: C25 H32 Cu N2 O7
• 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: 15.669 ± 0.0004 Å
• b: 12.03113 ± 0.00018 Å
• c: 14.5509 ± 0.0004 Å
• α: 90°
• β: 113.929 ± 0.003°
• γ: 90°
• Cell volume: 2507.3 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No