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Information card for entry 4060075
Preview
Coordinates | 4060075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H41 N O P2 Ru |
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Calculated formula | C27 H41 N O P2 Ru |
SMILES | [RuH]12([P](c3c(ccc(c3)C)N2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)(C(C)C)C(C)C)C#[O] |
Title of publication | Decarbonylation of Acetone and Carbonate at a Pincer-Ligated Ru Center |
Authors of publication | Remle Çelenligil-Çetin; Lori A. Watson; Chengyun Guo; Bruce M. Foxman; Oleg V. Ozerov |
Journal of publication | Organometallics |
Year of publication | 2005 |
Journal volume | 24 |
Pages of publication | 186 - 189 |
a | 16.6139 ± 0.0013 Å |
b | 10.773 ± 0.0011 Å |
c | 16.1339 ± 0.0011 Å |
α | 90° |
β | 102.756 ± 0.006° |
γ | 90° |
Cell volume | 2816.4 ± 0.4 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 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 | 0.108 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for all reflections | 0.0967 |
Weighted residual factors for significantly intense reflections | 0.0442 |
Weighted residual factors for all reflections included in the refinement | 0.0442 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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