Information card for entry 7048034

Structure parameters

• Formula: C58 H56 Cu4 N4 O12
• Calculated formula: C58 H54 Cu4 N4 O12
• Title of publication: Strategic Synthesis of [Cu2], [Cu4] and [Cu5] Complexes: Inhibition and Triggering of Ligand Arm Hydrolysis and Self-aggregation by Chosen Ancillary Bridges
• Authors of publication: Das, Manisha; Canaj, Angelos; Bertolasi, Valerio; Murrie, Mark; Ray, Debashis
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 16.529 ± 0.003 Å
• b: 22.599 ± 0.004 Å
• c: 14.645 ± 0.003 Å
• α: 90°
• β: 99.695 ± 0.005°
• γ: 90°
• Cell volume: 5392.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No