Information card for entry 7061013

Structure parameters

• Formula: C14 H62 Co4 Mo3 N16 O43
• Calculated formula: C14 H52 Co4 Mo3 N16 O43
• SMILES: O.O.O.O.O.[Mo]1(OC(=O)C(=O)O1)(O[Mo]1(OC(=O)C(=O)O1)(=O)(=O)O[Mo]1(=O)(=O)(OC(=O)C(=O)O1)[OH2])(=O)(=O)[OH2].[Co]1(OC(=O)C(=O)O1)([NH3])([NH3])([NH3])[NH3].[Co]1(OC(=O)C(=O)O1)([NH3])([NH3])([NH3])[NH3].[Co]1(OC(=O)C(=O)O1)([NH3])([NH3])([NH3])[NH3].[Co]1(OC(=O)C(=O)O1)([NH3])([NH3])([NH3])[NH3]
• 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: 12.8695 ± 0.0004 Å
• b: 17.6441 ± 0.0005 Å
• c: 25.3842 ± 0.0007 Å
• α: 103.533 ± 0.002°
• β: 101.392 ± 0.002°
• γ: 106.284 ± 0.002°
• Cell volume: 5160.9 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No