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Information card for entry 4330657
Preview
Coordinates | 4330657.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tt4_94 |
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Chemical name | tt4_94 |
Formula | C40 H47 Cl N2 P2 Ru |
Calculated formula | C40 H47 Cl N2 P2 Ru |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ru]12345([P]2(CN(C[P]1(CN(C2)Cc1ccccc1)c1ccccc1)Cc1ccccc1)c1ccccc1)Cl)C)C)C)C |
Title of publication | Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases |
Authors of publication | Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 10916 - 10928 |
a | 21.5703 ± 0.0007 Å |
b | 21.5703 ± 0.0007 Å |
c | 15.586 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7251.8 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.0285 |
Residual factor for significantly intense reflections | 0.0213 |
Weighted residual factors for significantly intense reflections | 0.0511 |
Weighted residual factors for all reflections included in the refinement | 0.056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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