Information card for entry 2226519

Structure parameters

• Chemical name: Bis(nitrato-κ<i>O</i>)(5,7,12,14-tetramethyl-1,4,8,11- tetraazacyclotetradecane-6,13-diaminium- κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)copper(II) dinitrate tetrahydrate
• Formula: C14 H44 Cu N10 O16
• Calculated formula: C14 H44 Cu N10 O16
• SMILES: C1[NH]2[C@@H](C)C([C@H](C)[NH]3CC[NH]4[C@H](C)C([C@@H](C)[NH](C1)[Cu]234)[NH3+])[NH3+].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Bis(nitrato-κ<i>O</i>)(5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diaminium-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)copper(II) dinitrate tetrahydrate
• Authors of publication: Liu, Xiang-Yun; Chu, Hong-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m837
• a: 9.201 ± 0.002 Å
• b: 16.576 ± 0.004 Å
• c: 9.278 ± 0.002 Å
• α: 90°
• β: 98.788 ± 0.004°
• γ: 90°
• Cell volume: 1398.4 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes