Information card for entry 4350554

Structure parameters

• Formula: C17 H17 Mn N O5
• Calculated formula: C17 H17 Mn N O5
• Title of publication: Porous metal-organic framework with coordinatively unsaturated Mn(II) sites:sorption properties for various gases.
• Authors of publication: Moon, Hoi Ri; Kobayashi, Norihito; Suh, Myunghyun Paik
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8672 - 8676
• a: 7.535 ± 0.005 Å
• b: 21.513 ± 0.005 Å
• c: 10.466 ± 0.005 Å
• α: 90°
• β: 96.666 ± 0.005°
• γ: 90°
• Cell volume: 1685.1 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No