Information card for entry 7000534

Structure parameters

• Formula: C22 H26 Cu2 N10 O2
• Calculated formula: C22 H26 Cu2 N10 O2
• SMILES: c12C=[N]3CC[N]4(CC[N]5(CC[N]6[Cu]5(N=N#N)Oc5ccccc5C=6)CC4)[Cu]3(Oc1cccc2)N=N#N
• Title of publication: Structure and dimensionality of coordination complexes correlated to piperazine conformation: from discrete [CuII2] and [CuII4] complexes to a μ1,3-N3− bridged [CuII2]n chain
• Authors of publication: Paital, Alok Ranjan; Mandal, Debashree; Huang, Xiaoying; Li, Jing; Aromí, Guillem; Ray, Debashis
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1352
• a: 10.891 ± 0.0017 Å
• b: 9.2429 ± 0.0014 Å
• c: 12.0176 ± 0.0019 Å
• α: 90°
• β: 105.816 ± 0.002°
• γ: 90°
• Cell volume: 1163.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No