Information card for entry 2215106

Structure parameters

• Chemical name: [8,17-Bis(5-nitro-2-oxidobenzyl-κO)-5,6:19,20-dibenzo-1,4,11,14-tetraoxa-8,17- diazacycloeicosane-κ^4^<i>N</i>,<i>N</i>']copper(II) chloroform solvate
• Formula: C37 H39 Cl3 Cu N4 O10
• Calculated formula: C37 H38 Cl3 Cu N4 O10
• Title of publication: [8,17-Bis(5-nitro-2-oxidobenzyl-κ<i>O</i>)-5,6:19,20-dibenzo-1,4,11,14-tetraoxa-8,17-diazacycloeicosane-κ^4^<i>N</i>,<i>N</i>']copper(II) chloroform solvate
• Authors of publication: Ting-Ting Han; Jian-Fang Ma; Guang-Ju Ping; Zhi-Fang Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2301 - m2301
• a: 12.055 ± 0.003 Å
• b: 12.819 ± 0.004 Å
• c: 13.409 ± 0.004 Å
• α: 82.532 ± 0.012°
• β: 82.378 ± 0.011°
• γ: 71.364 ± 0.009°
• Cell volume: 1937.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes