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Information card for entry 4104459
Preview
| Coordinates | 4104459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (C6F5)3B-LSi=Ni(CO)3 * 1/2 toluene |
|---|---|
| Formula | C107 H88 B2 F30 N4 Ni2 O6 Si2 |
| Calculated formula | C107 H88 B2 F30 N4 Ni2 O6 Si2 |
| SMILES | [Ni]([Si]1N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])C#[O].c1ccccc1C |
| Title of publication | Diketiminate Silicon(II) and Related NHSi Ligands Generated in the Coordination Sphere of Nickel(0) |
| Authors of publication | Antje Meltzer; Carsten Präsang; Matthias Driess |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 7232 - 7233 |
| a | 14.6855 ± 0.0003 Å |
| b | 20.2466 ± 0.0007 Å |
| c | 20.5691 ± 0.0007 Å |
| α | 64.292 ± 0.003° |
| β | 71.71 ± 0.003° |
| γ | 87.14 ± 0.002° |
| Cell volume | 5205.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1135 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178790 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/44. |
4104459.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104459.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104459.cif |
| 29483 | 2011-11-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4104459 via cif-deposit CGI script. |
4104459.cif |
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