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Information card for entry 4325868
Preview
Coordinates | 4325868.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H40 B9 Cl P2 Ru |
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Calculated formula | C30 H40 B9 Cl P2 Ru |
SMILES | [RuH]12345(Cl)([P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]167[CH]892[BH]2%107[BH]7%116[BH]631[BH]135[BH]548[BH]49%10[BH]82%11[BH]761[BH]3548 |
Title of publication | Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate |
Authors of publication | Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7574 - 7585 |
a | 12.4338 ± 0.0005 Å |
b | 18.6092 ± 0.0007 Å |
c | 14.7003 ± 0.0006 Å |
α | 90° |
β | 106.671 ± 0.001° |
γ | 90° |
Cell volume | 3258.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0479 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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