Information card for entry 2240411

Structure parameters

• Chemical name: Bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromate(III)
• Formula: C14 H10 Cr N3 O8
• Calculated formula: C14 H10 Cr N3 O8
• SMILES: c1cc2[n]3[Cr]45(OC2=O)(OC(=O)c3c1)[n]1c(C(=O)O4)cccc1C(=O)O5.[NH4+]
• Title of publication: Crystal structure of ammonium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromate(III) from synchrotron data
• Authors of publication: Moon, Dohyun; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 210 - 212
• a: 7.0305 ± 0.001 Å
• b: 7.0305 ± 0.001 Å
• c: 28.995 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1433.2 ± 0.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.62998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes