Information card for entry 1518910

Structure parameters

• Formula: C24 H22 N4 O12 W2
• Calculated formula: C24 H22 N4 O12 W2
• SMILES: [W]123([W]4(=O)(O2)(O3)(OC(=O)C(=O)O4)[n]2ccccc2)(=O)(OC(=O)C(=O)O1)[n]1ccccc1.[nH+]1ccccc1.[nH+]1ccccc1
• Title of publication: Solid state structures of dinuclear and trinuclear tungsten and molybdenum complexes with single metal-metal bonds
• Authors of publication: Barbara Modec; Peter Bukovec
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 226 - 234
• a: 21.9612 ± 0.0003 Å
• b: 8.8332 ± 0.0002 Å
• c: 15.1358 ± 0.0003 Å
• α: 90°
• β: 114.091 ± 0.0007°
• γ: 90°
• Cell volume: 2680.41 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No