Information card for entry 7000535

Structure parameters

• Formula: C28 H40 Cu2 N8 O10
• Calculated formula: C14 H20 Cu N4 O5
• 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: 8.517 ± 0.002 Å
• b: 9.409 ± 0.005 Å
• c: 10.91 ± 0.003 Å
• α: 102.85 ± 0.04°
• β: 106.33 ± 0.04°
• γ: 91.7 ± 0.04°
• Cell volume: 814 ± 0.6 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: 0.1122
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No