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Information card for entry 4063887
Preview
Coordinates | 4063887.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(η^5^-C~5~Me~5~)Ru(=C=C=CPh~2~){κ^2^ P,N-^i^Pr~2~PNH(C~5~H~4~N)}][PF~6~] |
---|---|
Chemical name | {(diisopropyl-phosphanyl)-(pyridin-2-yl)-amine-κ^2^-P,N}-(diphenyl- allenylidene)-(pentahapto-pentamethyl-cyclopentadienyl)-ruthenium(II) hexafluorophosphate |
Formula | C36 H44 F6 N2 P2 Ru |
Calculated formula | C36 H44 F6 N2 P2 Ru |
SMILES | [Ru]12345([P](Nc6[n]1cccc6)(C(C)C)C(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)=C=C=C(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6] |
Authors of publication | Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 4 |
Pages of publication | 726 |
a | 12.261 ± 0.003 Å |
b | 12.315 ± 0.003 Å |
c | 13.56 ± 0.003 Å |
α | 86.55 ± 0.03° |
β | 67.76 ± 0.03° |
γ | 67.18 ± 0.03° |
Cell volume | 1737.8 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0311 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0752 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4063887.html
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