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Information card for entry 4121681
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Coordinates | 4121681.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | F in manuscript |
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Formula | C46 H71 N O P2 Ru |
Calculated formula | C46 H71 N O P2 Ru |
SMILES | [RuH]12([P](Cc3cccc4Cc5cccc(C[P]1(C1CCCCC1)C1CCCCC1)c5N2c34)(C1CCCCC1)C1CCCCC1)C#[O].CCCCCC |
Title of publication | Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study. |
Authors of publication | Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 16 |
Pages of publication | 5923 - 5929 |
a | 20.1573 ± 0.0016 Å |
b | 18.8644 ± 0.0016 Å |
c | 23.933 ± 0.0019 Å |
α | 90° |
β | 108.211 ± 0.003° |
γ | 90° |
Cell volume | 8644.8 ± 1.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0914 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.1314 |
Weighted residual factors for all reflections included in the refinement | 0.1439 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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