Information card for entry 2015428

Structure parameters

• Common name: Compound (III)
• Chemical name: {bis(3-tert-butyl-5-methyl-2-oxidobenzyl)[2-(N,N- dimethylamino)ethyl]amine-κ^4^N,N',O,O'}(tetrahdyrofuran)zinc(II)
• Formula: C32 H50 N2 O3 Zn
• Calculated formula: C32 H50 N2 O3 Zn
• SMILES: [Zn]123([N](Cc4c(c(cc(c4)C)C(C)(C)C)O2)(Cc2c(c(cc(c2)C)C(C)(C)C)O3)CC[N]1(C)C)[O]1CCCC1
• Title of publication: {Bis(3,5-Di-<i>tert</i>-butyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}zinc(II) and {bis(3-<i>tert</i>-butyl-5-methyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}(tetrahdyrofuran)zinc(II)
• Authors of publication: Howard, Ruth H.; Bochmann, Manfred; Wright, Joseph A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m293 - m296
• a: 13.669 ± 0.003 Å
• b: 17.476 ± 0.004 Å
• c: 12.989 ± 0.004 Å
• α: 90°
• β: 93.14 ± 0.02°
• γ: 90°
• Cell volume: 3098.1 ± 1.4 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2113
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.676
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes