Information card for entry 4511108

Structure parameters

• Common name: 2[Cu(II)(H2O)(pic)](pyrazine)
• Chemical name: mu-pyrazine bis[(dipicolinato) aqua copper(II)]
• Formula: C18 H14 Cu2 N4 O10
• Calculated formula: C18 H14 Cu2 N4 O10
• SMILES: c12C(=O)O[Cu]3([n]1c(ccc2)C(=O)O3)([n]1cc[n]([Cu]23([n]4c(cccc4C(=O)O2)C(=O)O3)[OH2])cc1)[OH2]
• Title of publication: Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes
• Authors of publication: Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4685
• a: 7.81 ± 0.002 Å
• b: 7.316 ± 0.002 Å
• c: 16.644 ± 0.004 Å
• α: 90°
• β: 92.087 ± 0.004°
• γ: 90°
• Cell volume: 950.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0919
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No