Information card for entry 2208089

Structure parameters

• Chemical name: Tetrakis(benzylammonium) tetranitratocuprate(II) dinitrate
• Formula: C28 H40 Cu N10 O18
• Calculated formula: C28 H40 Cu N10 O18
• SMILES: C(c1ccccc1)[NH3+].C(c1ccccc1)[NH3+].N(=O)(=O)O[Cu](ON(=O)=O)(ON(=O)=O)ON(=O)=O.N(=O)(=O)[O-].C(c1ccccc1)[NH3+].C(c1ccccc1)[NH3+].N(=O)(=O)[O-]
• Title of publication: Tetrakis(benzylammonium) tetranitratocuprate(II) dinitrate
• Authors of publication: Rademeyer, Melanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m269 - m271
• a: 30.79 ± 0.03 Å
• b: 5.749 ± 0.009 Å
• c: 21.293 ± 0.014 Å
• α: 90°
• β: 97.93 ± 0.07°
• γ: 90°
• Cell volume: 3733 ± 7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No