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Information card for entry 4074481
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Coordinates | 4074481.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 10 |
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Chemical name | Bis(diphenyl(ferrocenylethynyl)phosphane)palladium dichloride |
Formula | C48 H38 Cl2 Fe2 P2 Pd |
Calculated formula | C48 H38 Cl2 Fe2 P2 Pd |
SMILES | [Pd](Cl)(Cl)([P](C#C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]9[cH]8[cH]71)(c1ccccc1)c1ccccc1)[P](C#C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)(c1ccccc1)c1ccccc1 |
Title of publication | Redox-Active, Multinuclear (Ferrocenylethynyl)phosphanes and Their Palladium and Platinum Complexes |
Authors of publication | Baumgartner, Thomas; Fiege, Marcel; Pontzen, Florian; Arteaga-Müller, Rocio |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 23 |
Pages of publication | 5657 |
a | 10.8183 ± 0.0008 Å |
b | 21.372 ± 0.0015 Å |
c | 17.4369 ± 0.0013 Å |
α | 90° |
β | 93.297 ± 0.003° |
γ | 90° |
Cell volume | 4024.9 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0952 |
Residual factor for significantly intense reflections | 0.0704 |
Weighted residual factors for significantly intense reflections | 0.1216 |
Weighted residual factors for all reflections included in the refinement | 0.1302 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
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/4074481.html
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