Information card for entry 2212004

Structure parameters

• Chemical name: Bis{4-nitro-2-[2-(isopropylamino)ethyliminomethyl]phenolato}copper(II) dinitrate
• Formula: C24 H34 Cu N8 O12
• Calculated formula: C24 H34 Cu N8 O12
• SMILES: N(=O)(=O)[O-].[Cu]12(Oc3c(cc(cc3)N(=O)=O)C=[N]1CC[NH2+]C(C)C)[N](=Cc1c(ccc(c1)N(=O)=O)O2)CC[NH2+]C(C)C.N(=O)(=O)[O-]
• Title of publication: Bis{2-[2-(isopropylamino)ethyliminomethyl]-4-nitrophenolato}copper(II) dinitrate
• Authors of publication: Chen-Yi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m489 - m491
• a: 7.71 ± 0.001 Å
• b: 21.608 ± 0.002 Å
• c: 9.075 ± 0.001 Å
• α: 90°
• β: 95.434 ± 0.002°
• γ: 90°
• Cell volume: 1505.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes