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Information card for entry 4089337
Preview
Coordinates | 4089337.cif |
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Original paper (by DOI) | HTML |
Common name | RuCp(PPh~2~NHPh)~2~(eta^1^-OSO~2~CF~3~) (3) |
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Formula | C42 H37 F3 N2 O3 P2 Ru S |
Calculated formula | C42 H37 F3 N2 O3 P2 Ru S |
SMILES | [Ru]1234([P](Nc5ccccc5)(c5ccccc5)c5ccccc5)([P](Nc5ccccc5)(c5ccccc5)c5ccccc5)(OS(=O)(=O)C(F)(F)F)[cH]5[cH]4[cH]3[cH]2[cH]15 |
Title of publication | Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes |
Authors of publication | Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl |
Journal of publication | Organometallics |
Year of publication | 2005 |
Journal volume | 24 |
Journal issue | 14 |
Pages of publication | 3561 |
a | 9.9429 ± 0.0012 Å |
b | 21.374 ± 0.003 Å |
c | 18.606 ± 0.002 Å |
α | 90° |
β | 98.61 ± 0.002° |
γ | 90° |
Cell volume | 3909.6 ± 0.8 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 8 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 (a,b+1/4,c) |
Hall space group symbol | P -2yabc |
Residual factor for all reflections | 0.045 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0688 |
Weighted residual factors for all reflections included in the refinement | 0.0745 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/4089337.html
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Users of the data should acknowledge the original authors of the
structural data.