Information card for entry 1565648

Structure parameters

• Formula: C32 H56 Cl2 Cu3 N8 O18
• Calculated formula: C32 H56 Cl2 Cu3 N8 O18
• SMILES: C[N]12CC[N](C)(C)[Cu]1(OC(=O)c1c[n]3c(cc1)C(=O)O[Cu]13[n]3cc(C(=O)O[Cu]45([N](C)(CC[N]4(C)C)CC[N]5(C)C)[OH2])ccc3C(=O)O1)([OH2])[N](CC2)(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates
• Authors of publication: Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119240
• a: 8.0426 ± 0.0004 Å
• b: 13.5955 ± 0.0007 Å
• c: 20.1611 ± 0.001 Å
• α: 90°
• β: 92.723 ± 0.002°
• γ: 90°
• Cell volume: 2201.99 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No