Information card for entry 2207704

Structure parameters

• Chemical name: [Dimethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17- tetraazadibenzo[a,g]cyclotetradeca-3,9,13,17-tetraene-13,18-dicarboxylato- κ^4^N,N',N''',N'''']copper(II)
• Formula: C22 H18 Cu N4 O6
• Calculated formula: C22 H18 Cu N4 O6
• Title of publication: [Dimethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17-tetraazadibenzo[<i>a</i>,<i>g</i>]cyclotetradeca-3,9,13,17-tetraene-13,18-dicarboxylato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>''',<i>N</i>'''']copper(II)
• Authors of publication: He, Jun-Hong; Yue, Lei; Li, Xiao-Zeng; Zhang, Wen-Qin; Liu, Bao-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2709 - m2710
• a: 9.6256 ± 0.0015 Å
• b: 15.676 ± 0.003 Å
• c: 13.502 ± 0.002 Å
• α: 90°
• β: 97.223 ± 0.002°
• γ: 90°
• Cell volume: 2021.2 ± 0.6 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: 0.061
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes