Information card for entry 4342335

Structure parameters

• Formula: C28 H28 N2 Ni O13
• Calculated formula: C28 H28 N2 Ni O13
• Title of publication: A new design strategy to access zwitterionic metal-organic frameworks from anionic viologen derivates.
• Authors of publication: Aulakh, Darpandeep; Varghese, Juby R.; Wriedt, Mario
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1756 - 1764
• a: 12.3743 ± 0.0007 Å
• b: 12.862 ± 0.0007 Å
• c: 18.4671 ± 0.001 Å
• α: 90°
• β: 98.5756 ± 0.0019°
• γ: 90°
• Cell volume: 2906.3 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No