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Information card for entry 4085645
Preview
Coordinates | 4085645.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H27 Cl3 N4 O6 Ru |
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Calculated formula | C31 H27 Cl3 N4 O6 Ru |
SMILES | C1(=CC(c2ccccc2)=[O][Ru]231([n]1ccccc1c1cccc[n]21)[n]1ccccc1c1cccc[n]31)OC.C(Cl)Cl.Cl(=O)(=O)(=O)[O-] |
Title of publication | Synthesis, Spectroscopic and Theoretical Studies of Ruthenafuran and Osmafuran Prepared by Activation of Ynone in Alcohol |
Authors of publication | Tsui, Wai-Kuen; Chung, Lai-Hon; Tsang, Wai-Him; Yeung, Chi-Fung; Chiu, Chun-Hong; Lo, Hoi-Shing; Wong, Chun-Yuen |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 6 |
Pages of publication | 1005 |
a | 11.507 ± 0.0004 Å |
b | 16.9819 ± 0.0005 Å |
c | 16.3624 ± 0.0005 Å |
α | 90° |
β | 101.146 ± 0.003° |
γ | 90° |
Cell volume | 3137.08 ± 0.18 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0702 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1505 |
Weighted residual factors for all reflections included in the refinement | 0.1631 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4085645.html
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