Information card for entry 7061008

Structure parameters

• Formula: Co2 H31 Mo5 N7 O23
• Calculated formula: Co2 H21 Mo5 N7 O23
• SMILES: [Mo]1234([O]5[Mo]67([O]8[Mo]9%10([O]1[Co]58([NH3])([NH3])[NH3])(O[Mo]1(O3)(O[Mo](O9)(O6)([O]47%101)(=O)=O)(=O)=O)=O)(=[O][Co]([O]=2)([NH3])([NH3])([NH3])[NH3])=O)=O.O.O.O.O.O
• Title of publication: The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units
• Authors of publication: Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 19764 - 19774
• a: 9.3392 ± 0.0004 Å
• b: 28.0114 ± 0.0009 Å
• c: 9.6973 ± 0.0004 Å
• α: 90°
• β: 102.988 ± 0.004°
• γ: 90°
• Cell volume: 2471.95 ± 0.17 ų
• Cell temperature: 169.98 ± 0.1 K
• Ambient diffraction temperature: 169.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No