Information card for entry 1565650

Structure parameters

• Formula: C32 H54 Cl2 Cu3 N10 O16
• Calculated formula: C32 H54 Cl2 Cu3 N10 O16
• SMILES: C1CC[NH2][Cu]23([N]1(CCC[NH2]2)CCC[NH2]3)OC(=O)c1ccc2[n](c1)[Cu]1([n]3c(ccc(c3)C(=O)O[Cu]345[N](CCC[NH2]3)(CCC[NH2]4)CCC[NH2]5)C(=O)O1)OC2=O.[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: 7.8091 ± 0.0002 Å
• b: 11.1617 ± 0.0003 Å
• c: 13.1597 ± 0.0004 Å
• α: 109.477 ± 0.001°
• β: 96.25 ± 0.002°
• γ: 101.096 ± 0.002°
• Cell volume: 1042.46 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No