Information card for entry 7207029

Structure parameters

• Common name: tris(ethylenediamine-N,N')-copper(ii) oxalate
• Chemical name: tris(ethylenediamine-N,N')-copper(II) oxalate
• Formula: C8 H24 Cu N6 O4
• Calculated formula: C8 H24 Cu N6 O4
• SMILES: [Cu]123([NH2]CC[NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2.[O-]C(=O)C(=O)[O-]
• Title of publication: Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket
• Authors of publication: Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 116
• a: 9.8795 ± 0.0009 Å
• b: 9.6336 ± 0.0009 Å
• c: 14.4612 ± 0.0015 Å
• α: 90°
• β: 91.718 ± 0.005°
• γ: 90°
• Cell volume: 1375.7 ± 0.2 ų
• Cell temperature: 167 ± 2 K
• Ambient diffraction temperature: 167 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No