Information card for entry 2214109

Structure parameters

• Chemical name: μ-Oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^-bis{[N,N'-bis(pyridin-2- ylmethylene)propane-1,2-diamine-κ^4^- N,N',N'',N''']copper(II)} bis(perchlorate)
• Formula: C32 H32 Cl2 Cu2 N8 O12
• Calculated formula: C32 H32 Cl2 Cu2 N8 O12
• SMILES: c1cccc2C[NH]3[C@H](C[NH]4Cc5[n]([Cu]634([n]12)[O]=C1C(O6)=[O][Cu]234(O1)[n]1ccccc1C[NH]2[C@@H](C[NH]3Cc1[n]4cccc1)C)cccc5)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis{[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethylene)propane-1,2-diamine-κ^4^-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II)} bis(perchlorate)
• Authors of publication: Tian-Fu Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1856 - m1858
• a: 11.339 ± 0.002 Å
• b: 9.2995 ± 0.0019 Å
• c: 19.395 ± 0.004 Å
• α: 90°
• β: 97.79 ± 0.03°
• γ: 90°
• Cell volume: 2026.3 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes