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Information card for entry 7035845
Preview
Coordinates | 7035845.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H30 Fe P2 |
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Calculated formula | C31 H30 Fe P2 |
SMILES | [FeH]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(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 | 10.2438 ± 0.0006 Å |
b | 18.3796 ± 0.001 Å |
c | 53.779 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10125.3 ± 1 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0972 |
Residual factor for significantly intense reflections | 0.0717 |
Weighted residual factors for significantly intense reflections | 0.1364 |
Weighted residual factors for all reflections included in the refinement | 0.1449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
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/7035845.html
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