Information card for entry 7022489

Structure parameters

• Formula: C24 H34 Cu4 N22 O4
• Calculated formula: C24 H34 Cu4 N22 O4
• SMILES: [Cu]123[O]4[Cu]5([O](c6c4c(ccc6)C=[N]1CC[NH]2CC)C)([N]3=N#N)(N=N#N)[N]([Cu]12([O]3c4c([O]1C)cccc4C=[N]1[Cu]3([N]2=N#N)[NH](CC1)CC)([N]5=N#N)N=N#N)=N#N
• Title of publication: Cu(II)-azide polynuclear complexes of Cu4 building clusters with Schiff-base co-ligands: synthesis, structures, magnetic behavior and DFT studies.
• Authors of publication: Mukherjee, Sandip; Mukherjee, Partha Sarathi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 4019 - 4030
• a: 9.4131 ± 0.0006 Å
• b: 21.4937 ± 0.001 Å
• c: 18.211 ± 0.0017 Å
• α: 90°
• β: 98.342 ± 0.007°
• γ: 90°
• Cell volume: 3645.5 ± 0.5 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: 0.1366
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No