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Information card for entry 4031985
Preview
Coordinates | 4031985.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H44 Cl3 F3 I Ir N O3 P S |
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Calculated formula | C37 H44 Cl3 F3 I Ir N O3 P S |
SMILES | [Ir]12345(I)([P](C(C=[N]1c1c(cc(cc1C)C)C)(C)C)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.ClC(Cl)Cl |
Title of publication | A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. |
Authors of publication | Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. |
Journal of publication | Beilstein journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 12 |
Pages of publication | 846 - 853 |
a | 17.335 ± 0.007 Å |
b | 9.113 ± 0.004 Å |
c | 25.21 ± 0.011 Å |
α | 90° |
β | 101.562 ± 0.009° |
γ | 90° |
Cell volume | 3902 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 10 |
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 | 0.0321 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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