Information card for entry 7009030

Structure parameters

• Formula: C44 H42 Cu4 N8 O6
• Calculated formula: C44 H40 Cu4 N8 O6
• SMILES: [Cu]123[N](=Cc4c(O2)cccc4)CC2=[O]1[Cu]1(Oc4c(C=[N]1C2)cccc4)[n]1n3c(C)c(c1C)c1c(n2[Cu]34Oc5ccccc5C=[N]4CC4=[O]3[Cu]3([N](C4)=Cc4ccccc4O3)[n]2c1C)C
• Title of publication: Tetranuclear copper(II) complexes incorporating short and long metal‒metal separations: synthesis, structure and magnetism †
• Authors of publication: Kruger, Paul E.; Moubaraki, Boujemaa; Fallon, Gary D.; Murray, Keith S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 713
• a: 18.63 ± 0.002 Å
• b: 12.459 ± 0.001 Å
• c: 9.319 ± 0.001 Å
• α: 81.546 ± 0.008°
• β: 86.965 ± 0.006°
• γ: 76.897 ± 0.008°
• Cell volume: 2083.4 ± 0.4 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 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: 0.0555
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections: 1.761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.578
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No