Information card for entry 7018255

Structure parameters

• Formula: C57 H33 Mg3 N3 O13
• Calculated formula: C57 H33 Mg3 N3 O13
• Title of publication: Induction of trimeric [Mg(3)(OH)(CO(2))(6)] in a porous framework by a desymmetrized tritopic ligand.
• Authors of publication: Zhai, Quanguo; Lin, Qipu; Wu, Tao; Zheng, Shou-Tian; Bu, Xianhui; Feng, Pingyun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 2866 - 2868
• a: 19.4789 ± 0.0003 Å
• b: 19.4789 ± 0.0003 Å
• c: 45.507 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14953.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2337
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No