Information card for entry 2008115

Structure parameters

• Chemical name: (1,4,7-Tris(3-tert-butyl-5-methyl-2-hydroxybenzyl)-1,4, 7-triazacyclononanato-N,N',N'',O,O',O'')chromium(III)
• Formula: C42 H60 Cr N3 O3
• Calculated formula: C42 H60 Cr N3 O3
• Title of publication: [1,4,7-Tris(3-<i>tert</i>-butyl-5-methyl-2-hydroxybenzyl)-1,4,7-triazacyclononanato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>,<i>O</i>',<i>O</i>'']chromium(III)
• Authors of publication: Martin, Lisandra L.; Taylor, Max R.; Bei Wu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 41 - 43
• a: 14.936 ± 0.001 Å
• b: 14.936 ± 0.001 Å
• c: 9.913 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1915.2 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.091
• Goodness-of-fit parameter for all reflections: 1.237
• Goodness-of-fit parameter for significantly intense reflections: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No