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Information card for entry 7013856
Preview
Coordinates | 7013856.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H22 B F4 Fe N |
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Calculated formula | C16 H22 B F4 Fe N |
SMILES | [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C1CC[NH+](C)CC1.[B](F)(F)(F)[F-] |
Title of publication | Synthesis of mono-amino-functionalised ferrocene, ferrocene salts and ferrocenium salts. |
Authors of publication | Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2004 |
Journal issue | 3 |
Pages of publication | 436 - 441 |
a | 10.2374 ± 0.0001 Å |
b | 7.8466 ± 0.0001 Å |
c | 20.5146 ± 0.0003 Å |
α | 90° |
β | 90.763 ± 0.0005° |
γ | 90° |
Cell volume | 1647.77 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0399 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0828 |
Weighted residual factors for all reflections included in the refinement | 0.0875 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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