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Information card for entry 7019876
Preview
| Coordinates | 7019876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H25 N5 O3 Pd |
|---|---|
| Calculated formula | C18 H23 N5 O3 Pd |
| SMILES | c1(C)cc(C)n2Cc3ccc4Cn5c(C)cc(C)[n]5[Pd]([n]12)(n34)OC(=O)C.O |
| Title of publication | Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property. |
| Authors of publication | Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 31 |
| Pages of publication | 9503 - 9512 |
| a | 9.7596 ± 0.0009 Å |
| b | 12.8135 ± 0.0012 Å |
| c | 16.6319 ± 0.0015 Å |
| α | 78.72 ± 0.003° |
| β | 76.803 ± 0.003° |
| γ | 84.894 ± 0.003° |
| Cell volume | 1983.7 ± 0.3 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 | 0.074 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179902 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/98. |
7019876.cif |
| 124221 | 2014-09-25 | cif/7 Fixing Z values and formulae for several entries. |
7019876.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019876.cif |
| 64337 | 2012-08-12 | cif/ Adding structures of 7019875, 7019876, 7019877, 7019878, 7019879 via cif-deposit CGI script. |
7019876.cif |
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Users of the data should acknowledge the original authors of the
structural data.