Information card for entry 7212479

Structure parameters

• Formula: C27 H33 Mn N3 O5
• Calculated formula: C27 H33 Mn N3 O5
• 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: 8.8816 ± 0.0016 Å
• b: 10.2469 ± 0.0018 Å
• c: 15.551 ± 0.003 Å
• α: 71.53 ± 0.003°
• β: 89.774 ± 0.003°
• γ: 74.903 ± 0.003°
• Cell volume: 1291.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No