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Information card for entry 7003432
Preview
| Coordinates | 7003432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H70 Cl N9 Na3 Ni4 O12 |
|---|---|
| Calculated formula | C62 H70 Cl N9 Na3 Ni4 O12 |
| SMILES | [Ni]12345[O]67([Ni]89%10%11[O]3[Ni]3%12%13%14[O]%152([Na]26([O]1Cc1[n]5cccc1)[O]15[Ni]6%16%17([O]2([Na]2%15([O]83([Na]71([O]9Cc1[n]%11cccc1)[O]62Cc1[n]%17cccc1)Cc1[n]%10cccc1)[O]%12Cc1[n]%14cccc1)Cc1[n]%16cccc1)[n]1c(C5)cccc1)Cc1[n]%13cccc1)Cc1[n]4cccc1.[Cl-].O1CCCC1.O1CCCC1 |
| Title of publication | Synthesis of nickel complexes with bidentate N,O-type ligands and application in the catalytic oligomerization of ethylene |
| Authors of publication | Kermagoret, Anthony; Braunstein, Pierre |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 12 |
| Pages of publication | 1564 - 1573 |
| a | 29.892 ± 0.006 Å |
| b | 29.892 ± 0.006 Å |
| c | 16.945 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15141 ± 5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.1922 |
| Residual factor for significantly intense reflections | 0.0959 |
| Weighted residual factors for significantly intense reflections | 0.2201 |
| Weighted residual factors for all reflections included in the refinement | 0.2424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.222 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179738 (current) | 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 7/00/34. |
7003432.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003432.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003432.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. | 7003432.cif |
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