Information card for entry 4321959

Structure parameters

• Formula: C12 H6 Cr N4 Na O13
• Calculated formula: C12 H6 Cr N4 Na O13
• SMILES: C1(=O)O[Cr]23([n]4cccnc4c4[n]2cccn4)(OC1=O)OC(=O)C(=O)O3.O.O.O.[Na+].O.O
• Title of publication: Two-Dimensional Assembling of (2,2'-Bipyrimidine)bis(oxalato)chromate(III) Units through Alkaline Cations
• Authors of publication: Giovanni De Munno; Donatella Armentano; Miguel Julve; Francesc Lloret; Rodrigue Lescouëzec; Juan Faus
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2234 - 2237
• a: 9.886 ± 0.003 Å
• b: 17.388 ± 0.005 Å
• c: 6.029 ± 0.002 Å
• α: 90°
• β: 103.33 ± 0.02°
• γ: 90°
• Cell volume: 1008.5 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 4.98
• Residual factor for significantly intense reflections: 4.8
• Weighted residual factors for all reflections: 6.88
• Weighted residual factors for significantly intense reflections: 6.47
• Goodness-of-fit parameter for significantly intense reflections: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No