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Information card for entry 4068428
Preview
Coordinates | 4068428.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H99 O6 P2 Rh |
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Calculated formula | C69 H99 O6 P2 Rh |
SMILES | [Rh]123([P]4(Oc5c2c(O[P]21Oc1c(cc(cc1c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)ccc5)Oc1c(cc(cc1c1c(O4)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[CH2]=[CH2]3.CCCCC |
Title of publication | Rhodium Complexes with Pincer Diphosphite Ligands. Unusual Olefin in-Plane Coordination in Square-Planar Compounds† |
Authors of publication | Rubio, Miguel; Suárez, Andrés; del Río, Diego; Galindo, Agustín; Álvarez, Eleuterio; Pizzano, Antonio |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 2 |
Pages of publication | 547 |
a | 17.2239 ± 0.0005 Å |
b | 19.2234 ± 0.0006 Å |
c | 20.3456 ± 0.0006 Å |
α | 90° |
β | 97.705 ± 0.001° |
γ | 90° |
Cell volume | 6675.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0392 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0797 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.