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Information card for entry 2015428
Preview
Coordinates | 2015428.cif |
---|---|
Structure factors | 2015428.hkl |
Original IUCr paper | HTML |
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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2015428.html
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