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Information card for entry 7016608
Preview
Coordinates | 7016608.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H23 B Fe |
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Calculated formula | C24 H23 B Fe |
SMILES | [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[c]7([cH]81)B(c1c(C)cccc1)c1c(cccc1)C |
Title of publication | Probing the influence of steric bulk on anion binding by triarylboranes: comparative studies of FcB(o-Tol)(2), FcB(o-Xyl)(2) and FcBMes(2). |
Authors of publication | Siewert, Inke; Fitzpatrick, Philip; Broomsgrove, Alexander E. J.; Kelly, Michael; Vidovic, Dragoslav; Aldridge, Simon |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10345 - 10350 |
a | 15.3409 ± 0.0006 Å |
b | 7.4354 ± 0.0003 Å |
c | 16.526 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1885.05 ± 0.13 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0488 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for all reflections | 0.1183 |
Weighted residual factors for significantly intense reflections | 0.113 |
Weighted residual factors for all reflections included in the refinement | 0.1183 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9742 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016608.html
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