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Information card for entry 7101296
Preview
Coordinates | 7101296.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H68 F12 N8 P2 Ru |
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Calculated formula | C74 H68 F12 N8 P2 Ru |
SMILES | [Ru]123([n]4cnc5c6c4c4[n]1cnc1c4c4c6c(c6c5cc(cc6)C(C)(C)C)c(c(c4c4c1cc(cc4)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Intermolecular Interactions of Extended Aromatic Ligands: The Synchrotron Molecular Structures of [Ru(bpy)2(N-HSB)].2PF6 and [Ru(bpy)2(N-1/2HSB)].2PF6 |
Authors of publication | Sylvia M. Draper; Christopher M. Fitchett; Daniel J. Gregg |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 29 |
a | 13.277 ± 0.002 Å |
b | 17.707 ± 0.002 Å |
c | 18.273 ± 0.002 Å |
α | 68.345 ± 0.002° |
β | 89.786 ± 0.002° |
γ | 78.094 ± 0.002° |
Cell volume | 3894.4 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.2485 |
Residual factor for significantly intense reflections | 0.1962 |
Weighted residual factors for significantly intense reflections | 0.4741 |
Weighted residual factors for all reflections included in the refinement | 0.5001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.775 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.6778 Å |
Diffraction radiation type | Synchrotron |
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/7101296.html
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Users of the data should acknowledge the original authors of the
structural data.