Information card for entry 7026296

Structure parameters

• Formula: C24 H34 Cu3 N12 O8
• Calculated formula: C24 H34 Cu3 N12 O8
• SMILES: c1cccc2c1[O]1[Cu]34(ON(=O)=[O][Cu]561([N]3=N#N)[N](=N#N)[Cu]13([N](=C(c7c(cccc7)[O]53)C)CC[N]1(C)C)ON(=[O]6)=O)[N](=C2C)CC[N]4(C)C
• 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: 10.538 ± 0.003 Å
• b: 18.379 ± 0.005 Å
• c: 8.705 ± 0.003 Å
• α: 90°
• β: 112.53 ± 0.04°
• γ: 90°
• Cell volume: 1557.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1557
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No