Information card for entry 7008962

Structure parameters

• Formula: C16 H17 Cu2 N11 O9
• Calculated formula: C16 H17 Cu2 N11 O9
• SMILES: [Cu]123[n]4ccccc4C(N)=[N]1N=C(C)C(=[N]2N1[Cu](ON(=O)=O)(ON(=O)=O)[n]2c(cccc2)C1=[NH]3)C.O=N(=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: 10.757 ± 0.004 Å
• b: 10.993 ± 0.003 Å
• c: 10.59 ± 0.003 Å
• α: 110.8 ± 0.02°
• β: 99.77 ± 0.03°
• γ: 90.34 ± 0.03°
• Cell volume: 1150.7 ± 0.7 ų
• Cell temperature: 299.2 K
• Ambient diffraction temperature: 299.2 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: 0.1024
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections: 1.419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.62
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No