Information card for entry 7052047

Structure parameters

• Formula: C24 H28 Mo8 N4 O26
• Calculated formula: C24 H28 Mo8 N4 O26
• SMILES: C(Cc1cc[nH+]cc1)c1cc[nH+]cc1.[Mo]1234(=O)[O]567[Mo]89%10(=O)[O]%11%121[Mo]1%13(=O)(=O)[O]8[Mo]6(=O)(=O)([O]31)O[Mo]7(=O)(=O)(O4)O[Mo]15(=O)(=O)[O]2[Mo]%11(=O)(=O)([O]91)O[Mo]%12(=O)(=O)(O%10)O%13.C(Cc1cc[nH+]cc1)c1cc[nH+]cc1
• Title of publication: Sequential transformations in assemblies based on octamolybdate clusters and 1,2-bis(4-pyridyl)ethane
• Authors of publication: Reinaldo Atencio; Alexander Briceño; Pedro Silva; José A. Rodríguez; Jonathan C. Hanson
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 33
• a: 16.33 ± 0.06 Å
• b: 11.47 ± 0.07 Å
• c: 21.45 ± 0.06 Å
• α: 90°
• β: 103.8 ± 0.2°
• γ: 90°
• Cell volume: 3902 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No