Information card for entry 4332585

Structure parameters

• Formula: C8 H12 Mg3 O13
• Calculated formula: C8 H12 Mg3 O13
• 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: 11.2962 ± 0.0003 Å
• b: 9.8184 ± 0.0003 Å
• c: 14.5847 ± 0.0004 Å
• α: 90°
• β: 91.662 ± 0.001°
• γ: 90°
• Cell volume: 1616.92 ± 0.08 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: 0.0444
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No