Information card for entry 4315297

Structure parameters

• Formula: C36 H24 Cr N6 Na O12 Ru
• Calculated formula: C36 H24 Cr N6 Na O12 Ru
• SMILES: [n]12c(cccc1)c1[n]([Ru]342([n]2c(cccc2)c2[n]4cccc2)[n]2c(cccc2)c2[n]3cccc2)cccc1.O1C(=O)C(=O)O[Cr]231(OC(=O)C(O2)=O)OC(=O)C(=O)O3.[Na+]
• Title of publication: Structural Study of Mixed Crystals of [Zn1-xRux(bpy)3][NaCr(ox)3] Probed by High-Resolution Absorption Spectroscopy and High-Pressure Experiments
• Authors of publication: Mia Milos; Tiphaine Penhouet; Prodipta Pal; Andreas Hauser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3402 - 3408
• a: 15.5098 ± 0.0006 Å
• b: 15.5098 ± 0.0006 Å
• c: 15.5098 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3730.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8736
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No