Information card for entry 7212480

Structure parameters

• Common name: Mn-ADA-2
• Formula: C38 H50 Mn N2 O10
• Calculated formula: C38 H50 Mn N2 O10
• Title of publication: Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid
• Authors of publication: Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2381
• a: 23.495 ± 0.002 Å
• b: 11.6667 ± 0.001 Å
• c: 13.2885 ± 0.0012 Å
• α: 90°
• β: 94.286 ± 0.002°
• γ: 90°
• Cell volume: 3632.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1139
• 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