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Information card for entry 4073170
Preview
| Coordinates | 4073170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H54 Cl3 F10 Fe2 N2 Ni2 P2 |
|---|---|
| Calculated formula | C65 H54 Cl3 F10 Fe2 N2 Ni2 P2 |
| SMILES | [Ni]12([N]3(c4c(F)c(F)c(F)c(F)c4F)[Ni]4(Cl)[P]([c]56[Fe]789%10%11%12%13([c]%14(C43)[cH]8[cH]9[cH]%10[cH]%11%14)[cH]6[cH]%12[cH]%13[cH]57)(c3ccccc3)c3ccccc3)[P]([c]34[Fe]56789%10%11([c]%12([cH]8[cH]7[cH]6[cH]5%12)C2N1c1c(F)c(F)c(F)c(F)c1F)[cH]3[cH]9[cH]%10[cH]4%11)(c1ccccc1)c1ccccc1.C(Cl)Cl.CCCCCC |
| Title of publication | A Strange Nickel(I)−Nickel(0) Binuclear Complex and Its Unexpected Ethylene Oligomerization |
| Authors of publication | Weng, Zhiqiang; Teo, Shihui; Liu, Zhi-Pan; Hor, T. S. Andy |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 12 |
| Pages of publication | 2950 |
| a | 12.867 ± 0.002 Å |
| b | 14.027 ± 0.002 Å |
| c | 17.8 ± 0.003 Å |
| α | 100.472 ± 0.003° |
| β | 106.307 ± 0.003° |
| γ | 90.936 ± 0.004° |
| Cell volume | 3024.3 ± 0.8 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.133 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.1598 |
| Weighted residual factors for all reflections included in the refinement | 0.1711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.811 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178620 (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 4/07/31. |
4073170.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073170.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073170.cif |
| 46201 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073170 via cif-deposit CGI script. |
4073170.cif |
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Users of the data should acknowledge the original authors of the
structural data.