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Information card for entry 4084791
Preview
Coordinates | 4084791.cif |
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Original paper (by DOI) | HTML |
Formula | C34.5 H48 B N4 O2 Rh |
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Calculated formula | C31 H44 B N4 O2 Rh |
SMILES | [Rh]1234(c5[n]([B](C6=[N]4C(C)(C)CO6)(C4=NC(C)(C)CO4)c4ccccc4)ccn5C(C)(C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4 |
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 | 19.544 ± 0.009 Å |
b | 14.553 ± 0.007 Å |
c | 11.657 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3316 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0798 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1143 |
Weighted residual factors for all reflections included in the refinement | 0.1246 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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