Information card for entry 7008959

Structure parameters

• Formula: C26 H25 Cu2 N14 O13.5
• Calculated formula: C26 H25 Cu2 N14 O13.5
• SMILES: [Cu]123[n]4ccccc4c4[n]1[n]1[Cu]5([n]6c(c1cc4)cccc6)([n]1ccccc1C(=[N]5[N]2=C(N)c1[n]3cccc1)N)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Dinuclear and tetranuclear copper(II) complexes with bridging (N‒N) diazine ligands: variable magnetic exchange topologies †
• Authors of publication: Xu, Zhiqiang; Thompson, Laurence K.; Matthews, Craig J.; Miller, David O.; Goeta, Andrés E.; Wilson, Claire; Howard, Judith A. K.; Ohba, Masaaki; Ōkawa, Hisashi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 1
• Pages of publication: 69
• a: 9.709 ± 0.001 Å
• b: 17.688 ± 0.002 Å
• c: 19.155 ± 0.002 Å
• α: 91.691 ± 0.004°
• β: 95.085 ± 0.003°
• γ: 97.501 ± 0.003°
• Cell volume: 3245.7 ± 0.6 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: 0.0595
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No