Information card for entry 2217982

Structure parameters

• Chemical name: 4-(4-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato)chromium(III) tetrahydrate
• Formula: C24 H23 Cr N4 O12
• Calculated formula: C24 H23 Cr N4 O12
• SMILES: [Cr]1234([n]5c(C(=O)O1)cccc5C(=O)O2)[n]1c(C(=O)O3)cccc1C(=O)O4.n1ccc(c2cc[nH+]cc2)cc1.O.O.O.O
• Title of publication: 4-(4-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato)chromium(III) tetrahydrate
• Authors of publication: Soleimannejad, Janet; Aghabozorg, Hossein; Hooshmand, Shabnam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m564 - m565
• a: 9.3785 ± 0.0019 Å
• b: 9.4106 ± 0.0019 Å
• c: 14.542 ± 0.003 Å
• α: 84.71 ± 0.03°
• β: 89.78 ± 0.03°
• γ: 87.25 ± 0.03°
• Cell volume: 1276.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes