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Information card for entry 4070642
Preview
| Coordinates | 4070642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H52 N4 Ni2 O4 |
|---|---|
| Calculated formula | C48 H52 N4 Ni2 O4 |
| SMILES | C12C(C=C3C(C=2)=[N](c2c(cccc2C)C)[Ni]2(OC(=CC(=[O]2)C)C)N3c2c(cccc2C)C)=[N](c2c(cccc2C)C)[Ni]2(OC(=CC(=[O]2)C)C)N1c1c(cccc1C)C |
| Title of publication | Binuclear Nickel and Copper Complexes with Bridging 2,5-Diamino-1,4-benzoquinonediimines: Synthesis, Structures, and Catalytic Olefin Polymerization |
| Authors of publication | Huang, Yuan-Biao; Tang, Guang-Rong; Jin, Gui-Ying; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 2 |
| Pages of publication | 259 |
| a | 7.651 ± 0.002 Å |
| b | 11.783 ± 0.003 Å |
| c | 13.848 ± 0.004 Å |
| α | 114.862 ± 0.004° |
| β | 99.241 ± 0.005° |
| γ | 90.263 ± 0.005° |
| Cell volume | 1114.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1081 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1446 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178595 (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 4/07/06. |
4070642.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070642.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070642.cif |
| 42610 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070642 via cif-deposit CGI script. |
4070642.cif |
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