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Information card for entry 4086971
Preview
Coordinates | 4086971.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H62 Au2 F12 N6 O5 P2 |
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Calculated formula | C44 H56 Au2 F12 N6 O5 P2 |
Title of publication | Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes |
Authors of publication | Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 2 |
Pages of publication | 275 |
a | 10.56 ± 0.0002 Å |
b | 10.6675 ± 0.0002 Å |
c | 12.886 ± 0.0003 Å |
α | 69.634 ± 0.001° |
β | 88.103 ± 0.001° |
γ | 77.301 ± 0.001° |
Cell volume | 1326.07 ± 0.05 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0377 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0919 |
Weighted residual factors for all reflections included in the refinement | 0.0934 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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