Information card for entry 7008960

Structure parameters

• Formula: C22 H32 Cu2 N8 O13
• Calculated formula: C22 H32 Cu2 N8 O13
• SMILES: [Cu]12([N]([N]3[Cu]4([n]5c(C=3N)cccc5)OC(=CC(=[O]4)C)C)=C(c3[n]1cccc3)N)(OC(=CC(=[O]2)C)C)[OH2].N(=O)(=O)[O-].N(=O)(=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: 17.226 ± 0.003 Å
• b: 12.26 ± 0.002 Å
• c: 14.795 ± 0.003 Å
• α: 90°
• β: 100.208 ± 0.003°
• γ: 90°
• Cell volume: 3075.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No