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Information card for entry 4087997
Preview
Coordinates | 4087997.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H36 B Cl2 Ir |
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Calculated formula | C26 H36 B Cl2 Ir |
SMILES | [Ir]12345(Cl)([H][B](Cl)([H]5)c5c(c(cc(c5C)C)C)C)[c]5([c]1([c]2([c]4([c]35C)C)C)C)C.c1ccccc1 |
Title of publication | Aryldihydroborane Coordination to Iridium and Osmium Hydrido Complexes |
Authors of publication | Arnold, Nicole; Mozo, Silvia; Paul, Ursula; Radius, Udo; Braunschweig, Holger |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 24 |
Pages of publication | 5709 |
a | 9.829 ± 0.002 Å |
b | 15.79 ± 0.003 Å |
c | 17.032 ± 0.004 Å |
α | 90° |
β | 104.52 ± 0.005° |
γ | 90° |
Cell volume | 2558.9 ± 0.9 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 | 0.0236 |
Residual factor for significantly intense reflections | 0.0194 |
Weighted residual factors for significantly intense reflections | 0.0432 |
Weighted residual factors for all reflections included in the refinement | 0.0443 |
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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