Information card for entry 7041879

Structure parameters

• Chemical name: Compound 3
• Formula: C32 H42 Cu3 N16 O20
• Calculated formula: C32 H42 Cu3 N16 O20
• 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: 8.026 ± 0.004 Å
• b: 12.141 ± 0.007 Å
• c: 14.647 ± 0.008 Å
• α: 68.018 ± 0.006°
• β: 87.679 ± 0.007°
• γ: 74.002 ± 0.007°
• Cell volume: 1269.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No