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Information card for entry 7035841
Preview
Coordinates | 7035841.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H42 Fe I N P2 |
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Calculated formula | C38 H42 Fe I N P2 |
SMILES | [I-].[Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)[c]1([c]2([c]3([c]4([c]51C)C)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 | 10.5222 ± 0.0011 Å |
b | 29.425 ± 0.003 Å |
c | 11.9465 ± 0.0011 Å |
α | 90° |
β | 113.942 ± 0.005° |
γ | 90° |
Cell volume | 3380.6 ± 0.6 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0671 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1445 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/7035841.html
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Users of the data should acknowledge the original authors of the
structural data.