Information card for entry 4510634

Structure parameters

• Common name: Bis(ditheobrominesilver)dichromate hemihydrate
• Chemical name: Bis(ditheobrominesilver)dichromate hemihydrate
• Formula: C28 H33 Ag2 Cr2 N16 O15.5
• Calculated formula: C28 H32 Ag2 Cr2 N16 O15.5
• 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: 12.8296 ± 0.0004 Å
• b: 14.24 ± 0.0004 Å
• c: 22.0804 ± 0.0006 Å
• α: 90.268 ± 0.002°
• β: 98.412 ± 0.002°
• γ: 94.089 ± 0.002°
• Cell volume: 3979.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No