Information card for entry 2223723

Structure parameters

• Common name: NOL1e2
• Chemical name: Bis(1-carbamimidoyl-2-ethylisourea)copper(II) dinitrate
• Formula: C8 H20 Cu N10 O8
• Calculated formula: C8 H20 Cu N10 O8
• SMILES: C1(=[NH][Cu]2([NH]=C(N1)OCC)[NH]=C(NC(=[NH]2)OCC)N)N.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Bis(1-carbamimidoyl-2-ethylisourea)copper(II) dinitrate
• Authors of publication: Meenongwa, Atittaya; Chaveerach, Unchulee; Pakawatchai, Chaveng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1389 - m1390
• a: 5.2547 ± 0.0006 Å
• b: 14.0087 ± 0.0015 Å
• c: 12.1511 ± 0.0013 Å
• α: 90°
• β: 96.982 ± 0.002°
• γ: 90°
• Cell volume: 887.83 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes