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Information card for entry 4071615
Preview
| Coordinates | 4071615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H70 Cl2 N12 O10 Pd2 |
|---|---|
| Calculated formula | C38 H70 Cl2 N12 O10 Pd2 |
| SMILES | COc1n[n]2[Pd]3(=C4N(C=CN4CCCC)[Pd]4(=C5N3C=CN5CCCC)=C3N(c5ccc(n[n]45)OC)C=CN3CCCC)=C3N(c2cc1)C=CN3CCCC.O.O.O.O.[Cl-].O.O.O.O.[Cl-] |
| Title of publication | Dinuclear Palladacyclic Complexes Derived from C−N Cleavage of an Imidazolium Salt: Synthesis, Structural Characterization, and Their Uses for C−C Coupling |
| Authors of publication | Ye, Jiansheng; Zhang, Xiaoming; Chen, Wanzhi; Shimada, Shigeru |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 16 |
| Pages of publication | 4166 |
| a | 23.109 ± 0.004 Å |
| b | 9.8636 ± 0.0018 Å |
| c | 22.869 ± 0.004 Å |
| α | 90° |
| β | 91.755 ± 0.002° |
| γ | 90° |
| Cell volume | 5210.3 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (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 4/07/16. |
4071615.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071615.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071615.cif |
| 43947 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071614, 4071615, 4071616, 4071617 via cif-deposit CGI script. |
4071615.cif |
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