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Information card for entry 4078860
Preview
Coordinates | 4078860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H64 Cl2 F12 N10 P2 Ru |
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Calculated formula | C55 H64 Cl2 F12 N10 P2 Ru |
SMILES | [Ru]12([N]#CC)([N]#CC)(=C3N(C=CN3CN3C=1N(C=C3)c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)c1[n+](cn(c1)c1c(cc(cc1C)C)C)CN1C=CN(C=21)c1c(cc(cc1C)C)C.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Steric Control at the Wingtip of a Bis-N-Heterocyclic Carbene Ligand: Coordination Behavior and Catalytic Responses of Its Ruthenium Compounds |
Authors of publication | Saha, Sayantani; Ghatak, Tapas; Saha, Biswajit; Doucet, Henri; Bera, Jitendra K. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 15 |
Pages of publication | 5500 |
a | 11.98 ± 0.0016 Å |
b | 13.501 ± 0.0018 Å |
c | 19.619 ± 0.003 Å |
α | 90.684 ± 0.002° |
β | 91.549 ± 0.002° |
γ | 111.316 ± 0.002° |
Cell volume | 2954.2 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1132 |
Residual factor for significantly intense reflections | 0.0715 |
Weighted residual factors for significantly intense reflections | 0.1495 |
Weighted residual factors for all reflections included in the refinement | 0.2044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
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/4078860.html
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Users of the data should acknowledge the original authors of the
structural data.