Information card for entry 2210667

Structure parameters

• Chemical name: (1,4,7-tribenzyl-1,4,7-triazacyclononane)diazidocopper(II)
• Formula: C27 H33 Cu N9
• Calculated formula: C27 H33 Cu N9
• SMILES: [Cu]12([N]3(CC[N]1(CC[N]2(CC3)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)(N=N#N)N=N#N
• Title of publication: Diazido(1,4,7-tribenzyl-1,4,7-triazacyclononane-κ^3^<i>N</i>)copper(II)
• Authors of publication: Yang, Yong-Sheng; Gu, Wen; Qian, Jing; Gao, Feng-Xian; Yan, Shi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2437 - m2438
• a: 14.105 ± 0.007 Å
• b: 8.999 ± 0.005 Å
• c: 21.603 ± 0.011 Å
• α: 90°
• β: 100.47 ± 0.007°
• γ: 90°
• Cell volume: 2696 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes