Information card for entry 7026295

Structure parameters

• Formula: C26 H42 B2 Cu3 F8 N10 O4
• Calculated formula: C26 H42 B2 Cu3 F8 N10 O4
• SMILES: [B](F)(F)(F)[F-].c12ccccc1C(=[N]1CC[N]([Cu]31([N](=N#N)[Cu]1([N](=N#N)[Cu]45([N](=C(c6c(cccc6)[O]14)C)CC[N]5(C)C)[OH]C)[O]23)[OH]C)(C)C)C.[B](F)(F)(F)[F-]
• 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: 11.062 ± 0.0011 Å
• b: 12.1832 ± 0.0012 Å
• c: 13.4652 ± 0.001 Å
• α: 90°
• β: 98.918 ± 0.006°
• γ: 90°
• Cell volume: 1792.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No