Information card for entry 1565649

Structure parameters

• Formula: C18 H40 Cu3 N10 O14
• Calculated formula: C18 H40 Cu3 N10 O14
• SMILES: C1C[NH2][Cu]23([NH]1CC[NH2]2)n1c(cc2C(=O)O[Cu]4([n]12)[n]1c(cc2C(=O)O[Cu]56([NH](CC[NH2]5)CC[NH2]6)n12)C(=O)O4)C(=O)O3.O.O.O.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: 14.2688 ± 0.0012 Å
• b: 7.9693 ± 0.0007 Å
• c: 14.627 ± 0.0012 Å
• α: 90°
• β: 117.759 ± 0.003°
• γ: 90°
• Cell volume: 1471.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No