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Information card for entry 7111135
Preview
| Coordinates | 7111135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H62 N8 Na2 |
|---|---|
| Calculated formula | C34 H62 N8 Na2 |
| SMILES | [Na]123([N](C)(C)CC[N]1(C)CC[N]2(C)C)[NH](C(=C)c1ccccc1)[Na]12([N](C)(C)CC[N]1(C)CC[N]2(C)C)[NH]3C(=C)c1ccccc1 |
| Title of publication | Crystal structures of (R,R)-{[Ph(Me)CH]2NLi·pmdeta} and {[PhC(CH2)NH]Na·pmdeta}2: alkali metal amides derived from (R,R)-bis(α-methylbenzyl)amine |
| Authors of publication | Andrews, Philip C.; Duggan, Peter J.; Maguire, Melissa; Nichols, Peter J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 1 |
| Pages of publication | 53 |
| a | 9.8409 ± 0.0002 Å |
| b | 9.9864 ± 0.0003 Å |
| c | 10.7169 ± 0.0002 Å |
| α | 94.128 ± 0.001° |
| β | 114.261 ± 0.002° |
| γ | 98.962 ± 0.001° |
| Cell volume | 937.59 ± 0.04 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 273.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0838 |
| Residual factor for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections | 2.04 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.04 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183806 (current) | 2016-06-20 | cif/4-7: Fixing some wrong Z values. |
7111135.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7111135.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7111135.cif |
| 96259 | 2014-01-29 | cif/ Adding structures of 7111134, 7111135 via cif-deposit CGI script. |
7111135.cif |
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Users of the data should acknowledge the original authors of the
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