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Information card for entry 4083720
Preview
Coordinates | 4083720.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H53 Fe P3 Se |
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Calculated formula | C56 H53 Fe P3 Se |
SMILES | [Fe]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#Cc1ccc(P(=[Se])(c2ccccc2)c2ccccc2)cc1 |
Title of publication | Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ2-dppe)(η5-C5Me5)C≡C‒ Substituents |
Authors of publication | Tohmé, Ayham; Sahnoune, Hiba; Roisnel, Thierry; Dorcet, Vincent; Halet, Jean-François; Paul, Frédéric |
Journal of publication | Organometallics |
Year of publication | 2014 |
Pages of publication | 140623083706006 |
a | 9.5868 ± 0.0002 Å |
b | 18.1803 ± 0.0004 Å |
c | 26.8252 ± 0.0007 Å |
α | 90° |
β | 92.148 ± 0.001° |
γ | 90° |
Cell volume | 4672.1 ± 0.19 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0582 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0845 |
Weighted residual factors for all reflections included in the refinement | 0.0919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation probe | x-ray |
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/4083720.html
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