Information card for entry 2004405

Structure parameters

• Common name: bis[aqua-3,3'-iminobispropylamine)copper(II)] pyromellitate octahydrate
• Chemical name: mu-(1,2,4,5-benzenetetracarboxylato)bis[aqua(1,7-diamino-4-aza- heptane)copper(II)] octahydrate
• Formula: C22 H56 Cu2 N6 O18
• Calculated formula: C22 H56 Cu2 N6 O18
• SMILES: C1CC[NH]2CCC[NH2][Cu]2([NH2]1)(OC(=O)c1cc(c(C(=O)O[Cu]23([NH2]CCC[NH]2CCC[NH2]3)[OH2])cc1C(=O)[O-])C(=O)[O-])[OH2].O.O.O.O.O.O.O.O
• Title of publication: A Tetracarboxylatobenzene-Bridged Binuclear Copper(II) Complex
• Authors of publication: Chen, W.; Tioh, N. H.; Zou, J.-Z.; Xu, Z.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 43 - 45
• a: 9.019 ± 0.002 Å
• b: 9.986 ± 0.001 Å
• c: 11.599 ± 0.002 Å
• α: 65.32 ± 0.01°
• β: 71.77 ± 0.01°
• γ: 71.57 ± 0.01°
• Cell volume: 880.5 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.0836
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No