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Information card for entry 4070198
Preview
Coordinates | 4070198.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H56 B Ir N2 P2 |
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Calculated formula | C34 H56 B Ir N2 P2 |
SMILES | [Ir]123([CH2]=[CH2]1)B1N(c4c(N1C[P]2(C1CCCCC1)C1CCCCC1)cccc4)C[P]3(C1CCCCC1)C1CCCCC1 |
Title of publication | Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium−Ethylene Complexes |
Authors of publication | Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 21 |
Pages of publication | 6234 |
a | 12.639 ± 0.003 Å |
b | 11.88 ± 0.003 Å |
c | 22.502 ± 0.005 Å |
α | 90° |
β | 98.8587 ± 0.0009° |
γ | 90° |
Cell volume | 3338.4 ± 1.4 Å3 |
Cell temperature | 103.15 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0788 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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