Information card for entry 7045134

Structure parameters

• Formula: C26 H20 Cl4 Cu3 N8 O2
• Calculated formula: C26 H20 Cl4 Cu3 N8 O2
• Title of publication: A new nitrogen rich open chain diazine ligand system: synthesis coordination chemistry and magneto-structural studies.
• Authors of publication: Anwar, Muhammad U.; Al-Harrasi, Ahmed; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.; Thompson, Laurence K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2511 - 2521
• a: 13.099 ± 0.003 Å
• b: 13.734 ± 0.003 Å
• c: 15.973 ± 0.007 Å
• α: 90°
• β: 106.33 ± 0.03°
• γ: 90°
• Cell volume: 2757.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No