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Information card for entry 4069462
Preview
Coordinates | 4069462.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H62 Cl2 Fe2 N4 O12 P2 Pd |
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Calculated formula | C58 H62 Cl2 Fe2 N4 O12 P2 Pd |
SMILES | [P]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2(C(=O)NCC(=O)N)[cH]1[cH]6[cH]7[cH]82)([Pd]([P]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)NCC(=O)N)(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1.C(=O)(C)O.C(=O)(O)C.C(=O)(C)O.C(=O)(C)O |
Title of publication | Phosphinoferrocenyl Carboxamides Bearing Glycine Pendant Groups: Synthesis, Palladium(II) Complexes, and Catalytic Use in Polar and Aqueous Reaction Media |
Authors of publication | Tauchman, Jiří; Císařová, Ivana; Štěpnička, Petr |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 11 |
Pages of publication | 3288 |
a | 9.4105 ± 0.0004 Å |
b | 9.7835 ± 0.0003 Å |
c | 17.7049 ± 0.0008 Å |
α | 103.067 ± 0.003° |
β | 93.042 ± 0.002° |
γ | 111.947 ± 0.002° |
Cell volume | 1455.6 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0784 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.0765 |
Weighted residual factors for all reflections included in the refinement | 0.0878 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4069462.html
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Users of the data should acknowledge the original authors of the
structural data.