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Information card for entry 4508371
Preview
Coordinates | 4508371.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H52 B F24 Ir O3 P2 |
---|---|
Calculated formula | C55 H52 B F24 Ir O3 P2 |
SMILES | c12c3cccc1O[P](C(C)(C)C)(C(C)(C)C)[IrH]2(C#[O])[P](C(C)(C)C)(C(C)(C)C)O3.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes |
Authors of publication | Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I. |
Journal of publication | ACS Catalysis |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 10 |
Pages of publication | 2391 |
a | 16.707 ± 0.002 Å |
b | 18.088 ± 0.002 Å |
c | 39.933 ± 0.005 Å |
α | 90° |
β | 96.48 ± 0.01° |
γ | 90° |
Cell volume | 11991 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0709 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4508371.html
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Users of the data should acknowledge the original authors of the
structural data.