Information card for entry 4504478

Structure parameters

• Chemical name: bis(imidazolium 2,4,6-tricarboxypyridine) nickel(II) trihydrate
• Formula: C22 H22 N6 Ni O15
• Calculated formula: C22 H16 N6 Ni O15
• Title of publication: Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks
• Authors of publication: Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 63
• a: 16.0967 ± 0.0013 Å
• b: 18.4218 ± 0.0015 Å
• c: 9.8346 ± 0.0008 Å
• α: 90°
• β: 111.609 ± 0.001°
• γ: 90°
• Cell volume: 2711.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No