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Information card for entry 7716592
Preview
Coordinates | 7716592.cif |
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Original paper (by DOI) | HTML |
Formula | C26.5 H23.67 Cl1.5 Co N7.5 O7.83 S1.5 |
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Calculated formula | C26.5 H23.668 Cl1.5 Co N7.5 O7.834 S1.5 |
Title of publication | Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak. |
Authors of publication | Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
Journal volume | 53 |
Journal issue | 30 |
Pages of publication | 12688 - 12697 |
a | 12.4803 ± 0.0002 Å |
b | 24.2535 ± 0.0004 Å |
c | 19.8778 ± 0.0003 Å |
α | 90° |
β | 104.524 ± 0.002° |
γ | 90° |
Cell volume | 5824.55 ± 0.17 Å3 |
Cell temperature | 104 ± 0.9 K |
Ambient diffraction temperature | 104 ± 0.9 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1014 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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