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Information card for entry 7029376
Preview
Coordinates | 7029376.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H44 F12 N7 O P3 Ru |
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Calculated formula | C47 H44 F12 N7 O P3 Ru |
SMILES | [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2ccccc2CN2C=CN(C=12)CC(=O)N(c1ccccc1)c1ccccc1)([N]#CC)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Donor functionalized ruthenium N-heterocyclic carbene complexes in alcohol oxidation reactions. |
Authors of publication | Naziruddin, Abbas Raja; Zhuang, Chun-Shiuan; Lin, Wan-Jung; Hwang, Wen-Shu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 14 |
Pages of publication | 5335 - 5342 |
a | 12.1842 ± 0.0006 Å |
b | 13.2317 ± 0.0008 Å |
c | 16.7148 ± 0.0008 Å |
α | 84.625 ± 0.001° |
β | 76.091 ± 0.001° |
γ | 71.868 ± 0.001° |
Cell volume | 2485.3 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0603 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1378 |
Weighted residual factors for all reflections included in the refinement | 0.1493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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