Information card for entry 1565652

Structure parameters

• Common name: [Cu(bdmpzpy)(2,6-pydc)]1.5H2O
• Formula: C24 H27 Cu N6 O5.5
• Calculated formula: C24 H27 Cu N6 O5.5
• SMILES: Cc1cc(C)n2Cc3cccc4Cn5c(C)cc(C)[n]5[Cu]56([n]12)([n]34)[n]1c(cccc1C(=O)O6)C(=O)O5.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: 7.7746 ± 0.0002 Å
• b: 27.9151 ± 0.0009 Å
• c: 10.9829 ± 0.0004 Å
• α: 90°
• β: 100.812 ± 0.001°
• γ: 90°
• Cell volume: 2341.29 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No