Information card for entry 2208863

Structure parameters

• Chemical name: [Tetraamminebis(4-nitrobenzoate-κO)copper(II)]
• Formula: C14 H20 Cu N6 O8
• Calculated formula: C14 H20 Cu N6 O8
• SMILES: [Cu](OC(=O)c1ccc(cc1)N(=O)=O)([NH3])([NH3])([NH3])[NH3].c1c(ccc(c1)C(=O)[O-])N(=O)=O
• Title of publication: Tetraamminebis(4-nitrobenzoato-κ<i>O</i>)copper(II)
• Authors of publication: Qu, Yang; Peng, Jian-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m952 - m953
• a: 7.2429 ± 0.0006 Å
• b: 10.6794 ± 0.0009 Å
• c: 12.6156 ± 0.0011 Å
• α: 83.864 ± 0.001°
• β: 74.835 ± 0.001°
• γ: 79.867 ± 0.001°
• Cell volume: 925.24 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes