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Information card for entry 4084154
Preview
Coordinates | 4084154.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H30 Fe N3 O3 P |
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Calculated formula | C27 H30 Fe N3 O3 P |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)NCCNC(=O)N)[c]1([cH]5[cH]6[cH]7[cH]81)P(c1ccccc1)c1ccccc1.CO |
Title of publication | Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents |
Authors of publication | Solařová, Hana; Císařová, Ivana; Štěpnička, Petr |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 15 |
Pages of publication | 4131 |
a | 9.5194 ± 0.0003 Å |
b | 13.6748 ± 0.0005 Å |
c | 20.054 ± 0.0008 Å |
α | 102.161 ± 0.002° |
β | 90.263 ± 0.002° |
γ | 97.168 ± 0.002° |
Cell volume | 2530.74 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0808 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1177 |
Weighted residual factors for all reflections included in the refinement | 0.1291 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4084154.html
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Users of the data should acknowledge the original authors of the
structural data.