Information card for entry 4122198

Structure parameters

• Formula: C56 H62 Mg3 N4 O16
• Calculated formula: C56 H40 Mg3 N4 O16
• Title of publication: Strong H(2) binding and selective gas adsorption within the microporous coordination solid Mg(3)(O(2)C-C(10)H(6)-CO(2))(3).
• Authors of publication: Dinca, Mircea; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 26
• Pages of publication: 9376 - 9377
• a: 15.045 ± 0.004 Å
• b: 18.036 ± 0.005 Å
• c: 20.979 ± 0.005 Å
• α: 90°
• β: 101.493 ± 0.004°
• γ: 90°
• Cell volume: 5579 ± 3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.2103
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No