Information card for entry 4332578

Structure parameters

• Formula: C5.67 H5.67 Ba3 N0.33 O12.32
• Calculated formula: C5.687 H5.687 Ba3 N0.313 O12.313
• 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: 7.0497 ± 0.0012 Å
• b: 12.706 ± 0.002 Å
• c: 15.481 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1386.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No