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Information card for entry 4082887
Preview
Coordinates | 4082887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H55 Cl4 F12 Fe P4 Ru |
---|---|
Calculated formula | C55 H55 Cl4 F12 Fe P4 Ru |
SMILES | [Ru]123456789([c]%10%11[c]5(c(ccc%10)C#C[Fe]5%10%12%13%14([P](c%15ccccc%15)(c%15ccccc%15)CC[P]5(c5ccccc5)c5ccccc5)[c]5([c]%14([c]%13([c]%12([c]%105C)C)C)C)C)[cH]4[cH]3[cH]2[cH]1%11)[cH]1[cH]9[cH]8[cH]7[cH]61.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl |
Title of publication | Proton-Controlled Regioselective Synthesis of [Cp*(dppe)Fe‒C\τb C-1-(η6-C10H7)Ru(η5-Cp](PF6) and Electron-Driven Haptotropic Rearrangement of the (η5-Cp)Ru+Arenophile |
Authors of publication | Makhoul, Rim; Sahnoune, Hiba; Davin, Thomas; Kahlal, Samia; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-François; Hamon, Jean-René; Lapinte, Claude |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 18 |
Pages of publication | 4792 |
a | 12.418 ± 0.0006 Å |
b | 14.8558 ± 0.0008 Å |
c | 15.5675 ± 0.0008 Å |
α | 90° |
β | 99.621 ± 0.002° |
γ | 90° |
Cell volume | 2831.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1265 |
Residual factor for significantly intense reflections | 0.0738 |
Weighted residual factors for significantly intense reflections | 0.1812 |
Weighted residual factors for all reflections included in the refinement | 0.2109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation probe | x-ray |
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/4082887.html
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Users of the data should acknowledge the original authors of the
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