Information card for entry 7026297

Structure parameters

• Formula: C28 H42 Cu3 N12 O8
• Calculated formula: C28 H42 Cu3 N12 O8
• SMILES: c12c(cccc2)C(C)=[N]2CC[N](CC)(CC)[Cu]342[O]1[Cu]12([N]4=N#N)([N](=N#N)[Cu]45([N](=C(c6c(cccc6)[O]24)C)CC[N]5(CC)CC)ON(=[O]1)=O)ON(=[O]3)=O
• Title of publication: Synthesis, crystal structure and magnetic properties of three unprecedented tri-nuclear and one very rare tetra-nuclear copper(II) Schiff-base complexes supported by mixed azido/phenoxo/nitrato or acetato bridges.
• Authors of publication: Biswas, Chaitali; Drew, Michael G. B.; Ruiz, Eliseo; Estrader, Marta; Diaz, Carmen; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7474 - 7484
• a: 9.1192 ± 0.0011 Å
• b: 10.2553 ± 0.0016 Å
• c: 10.6412 ± 0.0018 Å
• α: 67.626 ± 0.015°
• β: 71.919 ± 0.013°
• γ: 76.806 ± 0.012°
• Cell volume: 867.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2548
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No