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Information card for entry 4120643
Preview
Coordinates | 4120643.cif |
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Original paper (by DOI) | HTML |
Formula | C47 H46 B F10 Fe P |
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Calculated formula | C47 H46 B F10 Fe P |
SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19CCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)P(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81.CCCCC |
Title of publication | Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs. |
Authors of publication | Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 8 |
Pages of publication | 3293 |
a | 8.8458 ± 0.0002 Å |
b | 20.3854 ± 0.0003 Å |
c | 24.0753 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4341.38 ± 0.16 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1194 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.1447 |
Weighted residual factors for all reflections included in the refinement | 0.1666 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
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/4120643.html
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