Information card for entry 4321958

Structure parameters

• Formula: C36 H28 As Cr N4 O9
• Calculated formula: C36 H28 As Cr N4 O9
• SMILES: [Cr]123([n]4cccnc4c4nccc[n]14)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.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: 14.628 ± 0.004 Å
• b: 13.787 ± 0.004 Å
• c: 18.084 ± 0.005 Å
• α: 90°
• β: 112.46 ± 0.02°
• γ: 90°
• Cell volume: 3370.5 ± 1.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 14.44
• Residual factor for significantly intense reflections: 6.1
• Weighted residual factors for all reflections: 12.18
• Weighted residual factors for significantly intense reflections: 7.94
• Goodness-of-fit parameter for significantly intense reflections: 1.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No