Information card for entry 4510636

Structure parameters

• Common name: Bis(ditheobrominesilver)hydroniumsilveroctamolybdate hexahydrate
• Chemical name: Bis(ditheobrominesilver)hydronium(silverdi-mu4-oxo-tetra-mu3- oxo-hexa-mu-oxo-tetradecaoxooctamolybdate) hexahydrate
• Formula: C28 H47 Ag3 Mo8 N16 O41
• Calculated formula: C28 H32 Ag3 Mo8 N16 O41
• Title of publication: A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands
• Authors of publication: Kulikov, Vladislav; Meyer, Gerd
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2916
• a: 21.7118 ± 0.0006 Å
• b: 17.8399 ± 0.0004 Å
• c: 18.8061 ± 0.0005 Å
• α: 90°
• β: 122.236 ± 0.002°
• γ: 90°
• Cell volume: 6161.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No