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Information card for entry 4084822
Preview
Coordinates | 4084822.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H60 B Cl N2 O3 P2 Ru |
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Calculated formula | C33 H60 B Cl N2 O3 P2 Ru |
SMILES | [Ru]12(Cl)(C#[O])[P](CN3B2N(c2c3cccc2)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1 |
Title of publication | Synthesis, Structure, and Bonding Properties of Ruthenium Complexes Possessing a Boron-Based PBP Pincer Ligand and Their Application for Catalytic Hydrogenation |
Authors of publication | Miyada, Takuma; Huang Kwan, Enrique; Yamashita, Makoto |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 23 |
Pages of publication | 6760 |
a | 14.817 ± 0.002 Å |
b | 15.856 ± 0.002 Å |
c | 17.075 ± 0.003 Å |
α | 90° |
β | 115.142 ± 0.0018° |
γ | 90° |
Cell volume | 3631.5 ± 0.9 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 8 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0329 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0618 |
Weighted residual factors for all reflections included in the refinement | 0.0634 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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