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Information card for entry 7004930
Preview
Coordinates | 7004930.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H45 Cl3 N2 O8 P2 Pd2 S |
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Calculated formula | C40 H45 Cl3 N2 O8 P2 Pd2 S |
SMILES | [Pd]123[Cl][Pd]45[S]1c1c(cc(cc1C[NH]3CC[P]2(c1ccccc1)c1ccccc1)C(C)(C)C)C[NH]5CC[P]4(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Coordination chemistry of dinucleating P2N2S ligands: preparation and characterization of cationic palladium complexes. |
Authors of publication | Siedle, Gabriel; Lassahn, Paul-Gerhard; Lozan, Vasile; Janiak, Christoph; Kersting, Berthold |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 1 |
Pages of publication | 52 - 61 |
a | 12.666 ± 0.003 Å |
b | 14.142 ± 0.003 Å |
c | 14.318 ± 0.003 Å |
α | 60.85 ± 0.03° |
β | 72.15 ± 0.03° |
γ | 81.52 ± 0.03° |
Cell volume | 2132 ± 1.1 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0667 |
Weighted residual factors for all reflections included in the refinement | 0.0718 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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