Information card for entry 7045132

Structure parameters

• Formula: C24 H16 Cu3 N12 O14
• Calculated formula: C24 H16 Cu3 N12 O14
• 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: 15.0153 ± 0.0007 Å
• b: 14.1311 ± 0.0007 Å
• c: 14.3905 ± 0.0007 Å
• α: 90°
• β: 98.11 ± 0.002°
• γ: 90°
• Cell volume: 3022.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No