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Information card for entry 4071516
Preview
| Coordinates | 4071516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H40 N4 O2 Pd2 |
|---|---|
| Calculated formula | C40 H40 N4 O2 Pd2 |
| SMILES | [Pd]123[N](c4c(cccc4C)C)=C4[Pd]5([N](=C3c3ccccc3[N]1=C(C=C(O2)C)C)c1c(cccc1C)C)[N](=C(C=C(O5)C)C)c1c4cccc1 |
| Title of publication | New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes |
| Authors of publication | Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3254 |
| a | 19.0732 ± 0.0012 Å |
| b | 15.3618 ± 0.0011 Å |
| c | 24.6074 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7209.9 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.383 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178604 (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 4/07/15. |
4071516.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071516.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071516.cif |
| 43883 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071516 via cif-deposit CGI script. |
4071516.cif |
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