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Information card for entry 4070640
Preview
| Coordinates | 4070640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H40 N4 |
|---|---|
| Calculated formula | C38 H40 N4 |
| SMILES | C1(C(C=C(C(C=1)=Nc1c(cccc1C)C)Nc1c(cccc1C)C)=Nc1c(C)cccc1C)Nc1c(C)cccc1C |
| 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 | 8.483 ± 0.005 Å |
| b | 9.652 ± 0.005 Å |
| c | 10.57 ± 0.007 Å |
| α | 81.832 ± 0.012° |
| β | 66.426 ± 0.007° |
| γ | 74.004 ± 0.009° |
| Cell volume | 762 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.141 |
| Residual factor for significantly intense reflections | 0.0877 |
| Weighted residual factors for significantly intense reflections | 0.2175 |
| Weighted residual factors for all reflections included in the refinement | 0.2351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.207 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4070640.cif |
| 178595 | 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. |
4070640.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070640.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070640.cif |
| 42608 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070640 via cif-deposit CGI script. |
4070640.cif |
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Users of the data should acknowledge the original authors of the
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