Information card for entry 7056084

Structure parameters

• Common name: {[Cu(dmpzmpy)(C5O5)].H2O}n
• Formula: C16 H15 Cu N3 O6
• Calculated formula: C16 H15 Cu N3 O6
• Title of publication: Croconato-bridged copper(II) complexes. Synthesis, structure and magnetic characterization
• Authors of publication: Massoud, Salah S.; Williams, Gabrielle F.; Louka, Febee R.; Henary, Maher M.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3846 - 3856
• a: 22.1317 ± 0.0019 Å
• b: 7.8771 ± 0.0006 Å
• c: 21.0725 ± 0.0018 Å
• α: 90°
• β: 109.938 ± 0.013°
• γ: 90°
• Cell volume: 3453.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No