Information card for entry 7215281

Structure parameters

• Formula: C14 H16 Mn N2 O6
• Calculated formula: C14 H16 Mn N2 O6
• Title of publication: Dynamic 2D manganese(ii) isonicotinate framework with reversible crystal-to-amorphous transformation and selective guest adsorption
• Authors of publication: Matoga, Dariusz; Gil, Barbara; Nitek, Wojciech; Todd, Alexander D.; Bielawski, Christopher W.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 4959
• a: 10.869 ± 0.005 Å
• b: 12.13 ± 0.005 Å
• c: 13.783 ± 0.004 Å
• α: 90°
• β: 117.75 ± 0.02°
• γ: 90°
• Cell volume: 1608.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No