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Information card for entry 7016718
Preview
Coordinates | 7016718.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H43 N3 P2 Ru |
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Calculated formula | C48 H43 N3 P2 Ru |
SMILES | [RuH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3ccccc3C[NH]1C2c1ncccc1 |
Title of publication | From amine to ruthenaziridine to azaallyl: unusual transformation of di-(2-pyridylmethyl)amine on ruthenium. |
Authors of publication | Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10603 - 10608 |
a | 21.076 ± 0.004 Å |
b | 9.289 ± 0.0019 Å |
c | 20.185 ± 0.004 Å |
α | 90° |
β | 93.48 ± 0.03° |
γ | 90° |
Cell volume | 3944.4 ± 1.4 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 5 |
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 | 0.0841 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1154 |
Weighted residual factors for all reflections included in the refinement | 0.1308 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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