Information card for entry 4510638

Structure parameters

• Common name: Bis(ditheobrominesilver)hexamolybdatonickelate dihydronium dihydrogencarbonate pentadecahydrate
• Chemical name: Bis(ditheobrominesilver) dihydronium hexa-mu3-hydroxo-hexa-mu-oxo- [7-nickelhexakis(dioxomolybdenum)]ate dihydrogencarbonate pentadecahydrate'
• Formula: C29 H76 Ag2 Mo6 N16 Ni O52
• Calculated formula: C29 H38 Ag2 Mo6 N16 Ni O52
• 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: 10.4692 ± 0.001 Å
• b: 12.1347 ± 0.0012 Å
• c: 14.4977 ± 0.0014 Å
• α: 85.47 ± 0.008°
• β: 77.104 ± 0.008°
• γ: 77.693 ± 0.008°
• Cell volume: 1753.1 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No