Information card for entry 7041878

Structure parameters

• Chemical name: Compound 4
• Formula: C29.5 H29 Cu3 N14 O11
• Calculated formula: C29.5 H29 Cu3 N14 O11
• 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: 24.005 ± 0.017 Å
• b: 7.518 ± 0.005 Å
• c: 21.135 ± 0.015 Å
• α: 90°
• β: 116.849 ± 0.017°
• γ: 90°
• Cell volume: 3403 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0666
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No