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Information card for entry 7247259
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Coordinates | 7247259.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H30 Cl8 N4 Ru |
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Calculated formula | C30 H26 Cl8 N4 Ru |
Title of publication | Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation |
Authors of publication | Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh |
Journal of publication | RSC Advances |
Year of publication | 2023 |
Journal volume | 13 |
Journal issue | 36 |
Pages of publication | 25660 - 25672 |
a | 10.8657 ± 0.0002 Å |
b | 13.371 ± 0.0002 Å |
c | 14.4857 ± 0.0003 Å |
α | 112.698 ± 0.001° |
β | 94.014 ± 0.001° |
γ | 113.094 ± 0.001° |
Cell volume | 1724.14 ± 0.06 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0642 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7247259.html
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