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Information card for entry 7116173
Preview
Coordinates | 7116173.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H48.67 F N2 O0.33 Rh |
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Calculated formula | C35 H48 F N2 O0.333333 Rh |
SMILES | [Rh]123(F)(=C4N(C=CN4c4c(cccc4C(C)C)C(C)C)c4c(cccc4C(C)C)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.O |
Title of publication | Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I) |
Authors of publication | Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 62 |
a | 13.3131 ± 0.0011 Å |
b | 20.0341 ± 0.0017 Å |
c | 38.159 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10177.6 ± 1.4 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0651 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.149 |
Weighted residual factors for all reflections included in the refinement | 0.1592 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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