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Information card for entry 7715670
Preview
Coordinates | 7715670.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H43 Cl2 N5 O P2 Ru |
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Calculated formula | C48 H43 Cl2 N5 O P2 Ru |
Title of publication | Protic- or anionic-NHCs with a classical-NHC in a single [Ru(CNC)(PPh<sub>3</sub>)<sub>2</sub>Cl]Cl pincer complex: direct comparison of structure & electronic properties and heterolytic H<sub>2</sub> splitting. |
Authors of publication | Srivastava, Navdeep; Singh, Amrendra K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
Journal volume | 53 |
Journal issue | 16 |
Pages of publication | 6870 - 6874 |
a | 11.9308 ± 0.0002 Å |
b | 17.8608 ± 0.0002 Å |
c | 21.5668 ± 0.0005 Å |
α | 90° |
β | 104.447 ± 0.002° |
γ | 90° |
Cell volume | 4450.42 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1209 |
Residual factor for significantly intense reflections | 0.0801 |
Weighted residual factors for significantly intense reflections | 0.1513 |
Weighted residual factors for all reflections included in the refinement | 0.1774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
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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