Information card for entry 2232292

Structure parameters

• Chemical name: [(4<i>E</i>,11<i>E</i>)-5,7,12,14-Tetrabenzyl-7,14-dimethyl- 1,4,8,11-tetraazacyclotetradeca-4,11-diene]copper(II) bis(perchlorate)
• Formula: C40 H48 Cl2 Cu N4 O8
• Calculated formula: C40 H48 Cl2 Cu N4 O8
• Title of publication: [(4<i>E</i>,11<i>E</i>)-5,7,12,14-Tetrabenzyl-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene]copper(II) bis(perchlorate)
• Authors of publication: Roy, Tapashi G.; Hazari, Saroj K. S.; Nath, Babul C.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1581 - m1582
• a: 10.117 ± 0.0003 Å
• b: 16.6017 ± 0.0004 Å
• c: 11.991 ± 0.0003 Å
• α: 90°
• β: 108.818 ± 0.003°
• γ: 90°
• Cell volume: 1906.35 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes