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Information card for entry 7035834
Preview
Coordinates | 7035834.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H45 Br Fe P2 Si2 |
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Calculated formula | C37 H45 Br Fe P2 Si2 |
SMILES | Br[Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]51)[Si](C)(C)C)[Si](C)(C)C |
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 | 15.321 ± 0.0008 Å |
b | 22.5883 ± 0.001 Å |
c | 10.6683 ± 0.0005 Å |
α | 90° |
β | 107.898 ± 0.005° |
γ | 90° |
Cell volume | 3513.4 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0783 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1786 |
Weighted residual factors for all reflections included in the refinement | 0.1905 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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