Information card for entry 4510632

Structure parameters

• Common name: Aquaditherobrominesilver(I) perchlorate
• Chemical name: Aquaditherobrominesilver(I) perchlorate
• Formula: C14 H18 Ag Cl N8 O9
• Calculated formula: C14 H18 Ag Cl N8 O9
• SMILES: C1(=O)NC(=O)c2c(N1C)[n](cn2C)[Ag][n]1c2c(C(=O)NC(=O)N2C)n(C)c1.Cl(=O)(=O)(=O)[O-].O
• 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: 7.4803 ± 0.0008 Å
• b: 16.162 ± 0.003 Å
• c: 16.974 ± 0.0018 Å
• α: 90°
• β: 101.21 ± 0.008°
• γ: 90°
• Cell volume: 2012.9 ± 0.5 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: 0.0457
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No