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Information card for entry 4325870
Preview
Coordinates | 4325870.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H39 B9 Cl3 P2 Ru |
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Calculated formula | C31 H39 B9 Cl3 P2 Ru |
SMILES | [Ru]123456(Cl)[P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1c([B]7896[BH]6%104[CH]4%112[CH]2%123[BH]3%13%11[BH]%1164[BH]48%10[BH]63%11[BH]3%12%13[BH]572[BH]9463)cccc1)c1ccccc1.ClCCl |
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 | 17.2584 ± 0.0009 Å |
b | 14.1124 ± 0.0007 Å |
c | 28.7848 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7010.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0526 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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