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Information card for entry 4085823
Preview
Coordinates | 4085823.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H27 Fe N2 O P |
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Calculated formula | C30 H27 Fe N2 O P |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CNC(=O)Nc1ccccc1)[c]1([cH]8[cH]7[cH]6[cH]51)P(c1ccccc1)c1ccccc1 |
Title of publication | Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides |
Authors of publication | Škoch, Karel; Císařová, Ivana; Štěpnička, Petr |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 10 |
Pages of publication | 1942 |
a | 8.7368 ± 0.0003 Å |
b | 13.4194 ± 0.0004 Å |
c | 42.4097 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4972.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0488 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0758 |
Weighted residual factors for all reflections included in the refinement | 0.0797 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4085823.html
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