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Information card for entry 4069040
Preview
Coordinates | 4069040.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H27 B Cl N O2 Ru |
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Calculated formula | C19 H27 B Cl N O2 Ru |
SMILES | [Ru]1234(C#[O])(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)B(Cl)N(C1CCCCC1)C1CCCCC1 |
Title of publication | Half-Sandwich Group 8 Borylene Complexes: Synthetic and Structural Studies and Oxygen Atom Abstraction Chemistry |
Authors of publication | Pierce, Glesni A.; Vidovic, Dragoslav; Kays, Deborah L.; Coombs, Natalie D.; Thompson, Amber L.; Jemmis, Eluvathingal D.; De, Susmita; Aldridge, Simon |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 10 |
Pages of publication | 2947 |
a | 11.8422 ± 0.0002 Å |
b | 11.8546 ± 0.0002 Å |
c | 14.4183 ± 0.0002 Å |
α | 90° |
β | 98.7952 ± 0.0007° |
γ | 90° |
Cell volume | 2000.31 ± 0.06 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
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 | 0.0312 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for all reflections | 0.0648 |
Weighted residual factors for significantly intense reflections | 0.0636 |
Weighted residual factors for all reflections included in the refinement | 0.0648 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9859 |
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/4069040.html
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