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Information card for entry 4066444
Preview
| Coordinates | 4066444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | JY-173X |
|---|---|
| Chemical name | tilley03 |
| Formula | C25 H19 Cl4 N2 Ni Si |
| Calculated formula | C25 H19 Cl4 N2 Ni Si |
| SMILES | c1ccc2cccc3c2[n]1[Ni]12([C]4(C=CC=C[CH]1=4)[Si]3(c1cccc3ccc[n]2c13)Cl)Cl.C(Cl)Cl |
| Title of publication | Nickel Complexes with Bis(8-quinolyl)silyl Ligands. An Unusual Ni3Si2Cluster Containing Six-Coordinate Silicon† |
| Authors of publication | Yang, Jian; Del Rosal, Iker; Fasulo, Meg; Sangtrirutnugul, Preeyanuch; Maron, Laurent; Tilley, T. Don |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5544 |
| a | 14.9511 ± 0.0007 Å |
| b | 10.0728 ± 0.0005 Å |
| c | 15.782 ± 0.0007 Å |
| α | 90° |
| β | 97.116 ± 0.003° |
| γ | 90° |
| Cell volume | 2358.45 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4066444.cif |
| 178556 | 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 4/06/64. |
4066444.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066444.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066444.cif |
| 33892 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066442, 4066443, 4066444 via cif-deposit CGI script. |
4066444.cif |
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