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Information card for entry 4084789
Preview
Coordinates | 4084789.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Sad229 |
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Formula | C25 H36 B Cl Li N5 O2 |
Calculated formula | C25 H36 B Cl Li N5 O2 |
SMILES | [B]1(C2=[N](C(C)(C)CO2)[Li](Cl)([N]2C(C)(C)COC1=2)[N]#CC)(c1ccccc1)[n]1ccn(C(C)(C)C)c1 |
Title of publication | Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions |
Authors of publication | Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 23 |
Pages of publication | 6840 |
a | 12.149 ± 0.003 Å |
b | 14.34 ± 0.003 Å |
c | 16.039 ± 0.004 Å |
α | 90° |
β | 98.094 ± 0.004° |
γ | 90° |
Cell volume | 2766.4 ± 1.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0802 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.097 |
Weighted residual factors for all reflections included in the refinement | 0.1112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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