Information card for entry 4332580

Structure parameters

• Formula: C6 H6 Mg3 O12
• Calculated formula: C6 H6 Mg3 O12
• Title of publication: Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]
• Authors of publication: Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5521 - 5528
• a: 11.324 ± 0.002 Å
• b: 9.847 ± 0.002 Å
• c: 14.623 ± 0.003 Å
• α: 90°
• β: 91.15 ± 0.03°
• γ: 90°
• Cell volume: 1630.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No