Information card for entry 2005670

Structure parameters

• Chemical name: (4-Nitro-phenyl)-(1,3,5,8,12-pentaaza-cyclotetradec-3-yl)- -methanone dinitrato copper(II)
• Formula: C16 H26 Cu N8 O9
• Calculated formula: C16 H26 Cu N8 O9
• Title of publication: (4-Nitrophenyl 1,3,5,8,12-pentaazacyclotetradec-3-yl ketone-<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^)copper(II) Dinitrate
• Authors of publication: Sardone, N.; Licchelli, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2713 - 2716
• a: 7.935 ± 0.001 Å
• b: 25.116 ± 0.003 Å
• c: 11.081 ± 0.002 Å
• α: 90 ± 0°
• β: 96.4 ± 0.01°
• γ: 90 ± 0°
• Cell volume: 2194.6 ± 0.6 ų
• Cell temperature: 293 ± 3 K
• Ambient diffraction temperature: 293 ± 3 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: 0.054
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.039
• Goodness-of-fit parameter for significantly intense reflections: 1.744
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No