Information card for entry 1556917

Structure parameters

• Formula: C22 H22 Cu2 N4 O14
• Calculated formula: C22 Cu2 N4 O14
• SMILES: c1[n]2[Cu](OC3=C([O-])C(=O)C3=O)([OH2])([n]3ccccc3c2c2c3cccc[n]3[Cu]([n]2c1)(OC1=C([O-])C(=O)C1=O)([OH2])([OH2])[OH2])([OH2])[OH2]
• Title of publication: Synthesis and Crystal Structures of Two Dinuclear Copper(II) Complexes with 2,3-Bis(2-pyridyl)pyrazine as Bridging Ligand
• Authors of publication: Sletten, Jorunn; Bjorsvik, Ole
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 770 - 777
• a: 13.687 ± 0.003 Å
• b: 8.169 ± 0.002 Å
• c: 21.619 ± 0.004 Å
• α: 90°
• β: 92.32 ± 0.03°
• γ: 90°
• Cell volume: 2415.2 ± 0.9 ų
• Ambient diffraction temperature: 293 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: 0.0568
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No