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Information card for entry 2019387
Preview
| Coordinates | 2019387.cif |
|---|---|
| Structure factors | 2019387.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[(3,5-diphenyl-1<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)amino]-3,5-diphenylpyrrol-1-ido-κ<i>N</i>}palladium(II) |
|---|---|
| Formula | C64 H44 N6 Pd |
| Calculated formula | C64 H44 N6 Pd |
| SMILES | c1cccc(c2cc(c3=Nc4n([Pd]5([n]23)[n]2c(=Nc3n5c(cc3c3ccccc3)c3ccccc3)c(cc2c2ccccc2)c2ccccc2)c(cc4c2ccccc2)c2ccccc2)c2ccccc2)c1 |
| Title of publication | Bis{2-[(3,5-diphenyl-1<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)amino]-3,5-diphenylpyrrol-1-ido-κ<i>N</i>}palladium(II): a homoleptic four-coordinate tetraphenylazadipyrromethene complex of palladium |
| Authors of publication | Jones, Roderick C.; Müller-Bunz, Helge; Evans, Paul; O'Shea, Donal F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 165 - 168 |
| a | 13.9269 ± 0.0004 Å |
| b | 11.9137 ± 0.0003 Å |
| c | 14.0158 ± 0.0005 Å |
| α | 90° |
| β | 96.665 ± 0.003° |
| γ | 90° |
| Cell volume | 2309.8 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0641 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181863 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/93. |
2019387.cif 2019387.hkl |
| 180861 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/93. |
2019387.cif 2019387.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019387.cif 2019387.hkl |
| 104746 | 2014-03-11 | cif/ hkl/ Adding structures of 2019387 via cif-deposit CGI script. |
2019387.cif 2019387.hkl |
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