Information card for entry 4507267

Structure parameters

• Formula: C28 H20 Cl2 Cu N8 O8
• Calculated formula: C28 H20 Cl2 Cu N8 O8
• SMILES: [Cu]12([n]3ccccc3c3ccc(n[n]13)c1ccccn1)([n]1ccccc1c1ccc(n[n]21)c1ccccn1)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine
• Authors of publication: Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 270
• a: 8.903 ± 0.001 Å
• b: 11.587 ± 0.001 Å
• c: 14.291 ± 0.001 Å
• α: 82.47 ± 0.01°
• β: 82.03 ± 0.01°
• γ: 84.27 ± 0.01°
• Cell volume: 1442.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No