Information card for entry 2232906

Structure parameters

• Chemical name: Dichlorido[(4<i>E</i>,11<i>E</i>)-5,7,12,14-tetrabenzyl-7,14-dimethyl- 1,4,8,11-tetraazacyclotetradeca-4,11-diene]cobalt(III) perchlorate
• Formula: C40 H48 Cl3 Co N4 O4
• Calculated formula: C40 H48 Cl3 Co N4 O4
• Title of publication: Dichlorido[(4<i>E</i>,11<i>E</i>)-5,7,12,14-tetrabenzyl-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene]cobalt(III) perchlorate
• Authors of publication: Roy, Tapashi G.; Hazari, Saroj K. S.; Barua, Kanak K.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1722 - m1723
• a: 10.8111 ± 0.0007 Å
• b: 13.835 ± 0.002 Å
• c: 14.868 ± 0.003 Å
• α: 73.66 ± 0.03°
• β: 70.06 ± 0.03°
• γ: 68.65 ± 0.02°
• Cell volume: 1915.4 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes