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Information card for entry 4082898
Preview
Coordinates | 4082898.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H20 B F2 Fe N3 |
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Calculated formula | C25 H20 B F2 Fe N3 |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1ccc(NC2=c3[n]([B](F)(F)n4c2ccc4)ccc3)cc1)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Heteroatom-Connected Ferrocenyl BODIPYs: Synthesis, Structure, and Properties |
Authors of publication | Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 7 |
Pages of publication | 1867 |
a | 20.5133 ± 0.0006 Å |
b | 15.181 ± 0.0004 Å |
c | 14.5953 ± 0.0004 Å |
α | 90° |
β | 110.808 ± 0.003° |
γ | 90° |
Cell volume | 4248.7 ± 0.2 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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