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Information card for entry 7003137
Preview
| Coordinates | 7003137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C26 H36 B Cl N2 |
|---|---|
| Calculated formula | C26 H36 B Cl N2 |
| SMILES | ClB1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Light group 13 chloride diazadiene complexes: consequences of varying substituent bulk |
| Authors of publication | Hinchliffe, Alan; Mair, Francis S.; McInnes, Eric J. L.; Pritchard, Robin G.; Warren, John E. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 2 |
| Pages of publication | 222 - 233 |
| a | 19.3586 ± 0.0005 Å |
| b | 6.855 ± 0.0002 Å |
| c | 20.0253 ± 0.0005 Å |
| α | 90° |
| β | 101.033 ± 0.001° |
| γ | 90° |
| Cell volume | 2608.3 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.145 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7003137.cif |
| 179735 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/31. |
7003137.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003137.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003137.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003137.cif |
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Users of the data should acknowledge the original authors of the
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