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Information card for entry 7035828
Preview
Coordinates | 7035828.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H36 Cl Fe P2 |
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Calculated formula | C31 H29 Cl Fe P2 |
SMILES | [Fe]12345(Cl)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]4[cH]3[cH]21 |
Title of publication | Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives. |
Authors of publication | Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 31 |
Pages of publication | 14159 - 14177 |
a | 28.839 ± 0.004 Å |
b | 8.8808 ± 0.0014 Å |
c | 26.801 ± 0.004 Å |
α | 90° |
β | 122.43 ± 0.002° |
γ | 90° |
Cell volume | 5793.6 ± 1.5 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0606 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.114 |
Weighted residual factors for all reflections included in the refinement | 0.1191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
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/7035828.html
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