Information card for entry 7041880

Structure parameters

• Chemical name: Compound 1
• Formula: C17 H26 Cl2 Cu N6 O5
• Calculated formula: C17 H26 Cl2 Cu N6 O5
• SMILES: [Cu]12(Cl)(Cl)[N](NC(=O)C(=N\O)\C)=C(N)c3[n]1c(ccc3)c1[n]2cccc1.CO.CO.CO
• Title of publication: Synthesis, characterization and magnetic studies on mono-, di-, and tri-nuclear Cu(ii) complexes of a new versatile diazine ligand.
• Authors of publication: Anwar, Muhammad U.; Rawson, Jeremy M.; Gavey, Emma L.; Pilkington, Melanie; Al-Harrasi, Ahmed; Thompson, Laurence K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2105 - 2113
• a: 8.35 ± 0.006 Å
• b: 12.084 ± 0.009 Å
• c: 12.264 ± 0.009 Å
• α: 68.723 ± 0.007°
• β: 89.547 ± 0.008°
• γ: 87.922 ± 0.008°
• Cell volume: 1152.3 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No