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Information card for entry 4071856
Preview
| Coordinates | 4071856.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 Cl N Si2 Zr |
|---|---|
| Calculated formula | C14 H20 Cl N Si2 Zr |
| SMILES | [Zr]123456789%10(Cl)N([Si]([c]%111[cH]2[cH]3[cH]4[cH]5%11)(C)C)[Si]([c]16[cH]7[cH]8[cH]9[cH]%101)(C)C |
| Title of publication | The New Tridentate Ligand CpSiNSiCp and Its Zirconium Complexes: Incorporation of Two Bridged Constrained-Geometry Units into One Molecule |
| Authors of publication | Wang, Cun; Luo, He-Kuan; van Meurs, Martin; Stubbs, Ludger P.; Wong, Pui-Kwan |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 2908 |
| a | 31.325 ± 0.0008 Å |
| b | 31.325 ± 0.0008 Å |
| c | 7.0407 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6908.7 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178607 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/18. |
4071856.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071856.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071856.cif |
| 44080 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071855, 4071856 via cif-deposit CGI script. |
4071856.cif |
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