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Information card for entry 4069440
Preview
| Coordinates | 4069440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C13 H24 N2 O |
|---|---|
| Calculated formula | C13 H24 N2 O |
| SMILES | O=C(NC1CCCCC1)NC1CCCCC1 |
| Title of publication | Synthesis, Characterization, Selective Catalytic Activity, and Reactivity of Rare Earth Metal Amides with Different Metal−Nitrogen Bonds |
| Authors of publication | Zhu, Xiancui; Fan, Jiaxi; Wu, Yunjun; Wang, Shaowu; Zhang, Lijun; Yang, Gaosheng; Wei, Yun; Yin, Chengwei; Zhu, Hong; Wu, Shihong; Zhang, Hongtao |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 13 |
| Pages of publication | 3882 - 3888 |
| a | 12.432 ± 0.004 Å |
| b | 12.899 ± 0.004 Å |
| c | 14.097 ± 0.004 Å |
| α | 68.623 ± 0.004° |
| β | 67.804 ± 0.004° |
| γ | 86.895 ± 0.004° |
| Cell volume | 1939.9 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.3912 |
| Residual factor for significantly intense reflections | 0.0843 |
| Weighted residual factors for significantly intense reflections | 0.1767 |
| Weighted residual factors for all reflections included in the refinement | 0.3222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.813 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4069440.cif |
| 178583 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/94. |
4069440.cif |
| 132589 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name *.cif | xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s*\'(\d*\.\d*)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion). |
4069440.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069440.cif |
| 87351 | 2013-08-12 | smi/4: Adding SMILES for purely organic compounds (no brackets) in subdir 4 |
4069440.cif |
| 40293 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069433, 4069434, 4069435, 4069436, 4069437, 4069438, 4069439, 4069440, 4069441 via cif-deposit CGI script. |
4069440.cif |
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Users of the data should acknowledge the original authors of the
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