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Information card for entry 7005295
Preview
Coordinates | 7005295.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H44 Cl2 N10 O4 Pd4 |
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Calculated formula | C48 H44 Cl2 N10 O4 Pd4 |
SMILES | Cc1cc(C)cc2N=C3c4ccccc4C4N3[Pd]3(c5c6[N]=4[Pd]([n]6c(cc5C)C)([O]=C(O[Pd]45c6c7[N]([Pd]([O]=C(O3)C)(Cl)[n]7c(cc6C)C)=C3N5C(c5ccccc35)=Nc3cc(cc(C)[n]43)C)C)Cl)[n]12 |
Title of publication | Cyclometalation vs. Werner-type coordination of sterically enforced palladium(II)-1,3-bis(pyridyl-2-imino)isoindolines (Pd-BPIs). |
Authors of publication | Bröring, Martin; Kleeberg, Christian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 11 |
Pages of publication | 1101 - 1103 |
a | 8.5886 ± 0.0016 Å |
b | 11.834 ± 0.003 Å |
c | 12.123 ± 0.003 Å |
α | 90.44 ± 0.03° |
β | 97.63 ± 0.02° |
γ | 104.77 ± 0.02° |
Cell volume | 1179.8 ± 0.5 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1626 |
Residual factor for significantly intense reflections | 0.0869 |
Weighted residual factors for significantly intense reflections | 0.2055 |
Weighted residual factors for all reflections included in the refinement | 0.2451 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.829 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7005295.html
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Users of the data should acknowledge the original authors of the
structural data.