Information card for entry 2202676

Structure parameters

• Chemical name: Tetra-μ-nitroamine-bis[aquacopper(II)]
• Formula: Cu2 H12 N8 O10
• Calculated formula: Cu2 H12 N8 O10
• SMILES: N1(N)=[O][Cu]234([O]=N(N)=[O][Cu]4([O]=N(N)=[O]2)([O]=1)([O]=N(N)=[O]3)[OH2])[OH2]
• Title of publication: Tetra-μ-nitroaminato-bis[aquacopper(II)]
• Authors of publication: Sema Öztürk; Mehmet Akkurt; Nebahat Demirhan; Bahattin Kahveci; Hoong-Kun Fun; Nüket Öcal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: i107 - i109
• a: 13.1677 ± 0.0018 Å
• b: 8.5716 ± 0.0012 Å
• c: 13.8499 ± 0.0019 Å
• α: 90°
• β: 117.024 ± 0.002°
• γ: 90°
• Cell volume: 1392.5 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes