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Information card for entry 4080593
Preview
Coordinates | 4080593.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H30 Fe N O P |
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Calculated formula | C31 H30 Fe N O P |
SMILES | [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1)CN(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | 1,2-Disubstituted Aryl-Based Ferrocenyl Phosphines |
Authors of publication | Madalska, Martyna; Lönnecke, Peter; Hey-Hawkins, Evamarie |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 6 |
Pages of publication | 2019 |
a | 10.0663 ± 0.0006 Å |
b | 14.9463 ± 0.0011 Å |
c | 16.7885 ± 0.0012 Å |
α | 96.048 ± 0.006° |
β | 90.55 ± 0.005° |
γ | 99.252 ± 0.005° |
Cell volume | 2478.3 ± 0.3 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 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 | 0.1227 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1132 |
Weighted residual factors for all reflections included in the refinement | 0.1259 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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