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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) |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2019387.html
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